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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/linc-e3f0c9fb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-e3f0c9fb/inputs/seq.fa: 1 curr_seq: _GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUUCAACUCAUCUGGCAGCCACUCCCAGAGCCCCUGGAACUCUGGCCCAAGCCUCUCUGACUGACUCCUUCCCAGAUCUUCUCGGCUUAGCAGCUGAAGACUGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAAACAAAAAAAUUUCUUUUGGUAGCAGAAUAAAAAAACAAAAAAAAGGACUUUUUCUUCUGGACUGAACUAUAUUUAAAUCUCAAAGGAUGGACAUCUCA 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1226.691296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.691296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.691296 (E_RNA) where: Base-Base interactions energy: -59.242 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1393.878883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.878883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.878883 (E_RNA) where: Base-Base interactions energy: -582.064 where: short stacking energy: -569.772 Base-Backbone interact. energy: -0.335 local terms energy: -811.480099 where: bonds (distance) C4'-P energy: -185.660 bonds (distance) P-C4' energy: -193.262 flat angles C4'-P-C4' energy: -195.459 flat angles P-C4'-P energy: -112.594 tors. eta vs tors. theta energy: -124.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1338.954464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.954464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.954464 (E_RNA) where: Base-Base interactions energy: -544.174 where: short stacking energy: -541.070 Base-Backbone interact. energy: -0.238 local terms energy: -794.543067 where: bonds (distance) C4'-P energy: -184.059 bonds (distance) P-C4' energy: -183.251 flat angles C4'-P-C4' energy: -181.856 flat angles P-C4'-P energy: -109.672 tors. eta vs tors. theta energy: -135.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1258.647701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.647701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.647701 (E_RNA) where: Base-Base interactions energy: -504.465 where: short stacking energy: -490.118 Base-Backbone interact. energy: 0.057 local terms energy: -754.238996 where: bonds (distance) C4'-P energy: -171.279 bonds (distance) P-C4' energy: -176.417 flat angles C4'-P-C4' energy: -171.983 flat angles P-C4'-P energy: -114.184 tors. eta vs tors. theta energy: -120.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1228.379667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.379667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.379667 (E_RNA) where: Base-Base interactions energy: -61.302 where: short stacking energy: -61.302 Base-Backbone interact. energy: -0.000 local terms energy: -1167.077417 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.776 flat angles P-C4'-P energy: -251.758 tors. eta vs tors. theta energy: -134.909 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1228.330581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.330581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.330581 (E_RNA) where: Base-Base interactions energy: -61.302 where: short stacking energy: -61.302 Base-Backbone interact. energy: -0.000 local terms energy: -1167.028701 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.776 flat angles P-C4'-P energy: -251.710 tors. eta vs tors. theta energy: -134.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1228.172222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.172222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.172222 (E_RNA) where: Base-Base interactions energy: -61.301 where: short stacking energy: -61.301 Base-Backbone interact. energy: -0.000 local terms energy: -1166.870716 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.776 flat angles P-C4'-P energy: -251.710 tors. eta vs tors. theta energy: -134.751 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1227.920935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.920935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.920935 (E_RNA) where: Base-Base interactions energy: -61.301 where: short stacking energy: -61.301 Base-Backbone interact. energy: -0.000 local terms energy: -1166.619805 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.488 flat angles P-C4'-P energy: -251.747 tors. eta vs tors. theta energy: -134.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1227.920558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.920558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.920558 (E_RNA) where: Base-Base interactions energy: -61.301 where: short stacking energy: -61.301 Base-Backbone interact. energy: -0.000 local terms energy: -1166.619805 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.488 flat angles P-C4'-P energy: -251.747 tors. eta vs tors. theta energy: -134.751 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1227.920180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.920180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.920180 (E_RNA) where: Base-Base interactions energy: -61.300 where: short stacking energy: -61.300 Base-Backbone interact. energy: -0.000 local terms energy: -1166.619805 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.488 flat angles P-C4'-P energy: -251.747 tors. eta vs tors. theta energy: -134.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1227.786043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.786043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.786043 (E_RNA) where: Base-Base interactions energy: -61.300 where: short stacking energy: -61.300 Base-Backbone interact. energy: -0.000 local terms energy: -1166.486047 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.277 flat angles C4'-P-C4' energy: -219.488 flat angles P-C4'-P energy: -251.613 tors. eta vs tors. theta energy: -134.751 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1430.980136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.980136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.980136 (E_RNA) where: Base-Base interactions energy: -604.770 where: short stacking energy: -599.725 Base-Backbone interact. energy: -1.795 local terms energy: -824.415762 where: bonds (distance) C4'-P energy: -176.969 bonds (distance) P-C4' energy: -198.233 flat angles C4'-P-C4' energy: -197.615 flat angles P-C4'-P energy: -101.107 tors. eta vs tors. theta energy: -150.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1342.860297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.860297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.860297 (E_RNA) where: Base-Base interactions energy: -541.535 where: short stacking energy: -536.687 Base-Backbone interact. energy: -0.352 local terms energy: -800.972696 where: bonds (distance) C4'-P energy: -179.988 bonds (distance) P-C4' energy: -193.078 flat angles C4'-P-C4' energy: -184.137 flat angles P-C4'-P energy: -117.207 tors. eta vs tors. theta energy: -126.562 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1258.984791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.984791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.984791 (E_RNA) where: Base-Base interactions energy: -480.948 where: short stacking energy: -473.679 Base-Backbone interact. energy: -0.415 local terms energy: -777.621442 where: bonds (distance) C4'-P energy: -185.712 bonds (distance) P-C4' energy: -187.114 flat angles C4'-P-C4' energy: -179.097 flat angles P-C4'-P energy: -111.032 tors. eta vs tors. theta energy: -114.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1177.167341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.167341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.167341 (E_RNA) where: Base-Base interactions energy: -452.222 where: short stacking energy: -433.740 Base-Backbone interact. energy: -0.196 local terms energy: -724.749300 where: bonds (distance) C4'-P energy: -179.903 bonds (distance) P-C4' energy: -189.378 flat angles C4'-P-C4' energy: -167.119 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -100.326 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1070.428272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.428272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.428272 (E_RNA) where: Base-Base interactions energy: -381.916 where: short stacking energy: -377.158 Base-Backbone interact. energy: -0.901 local terms energy: -687.611222 where: bonds (distance) C4'-P energy: -168.250 bonds (distance) P-C4' energy: -168.889 flat angles C4'-P-C4' energy: -161.139 flat angles P-C4'-P energy: -116.018 tors. eta vs tors. theta energy: -73.314 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -982.605188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.605188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.605188 (E_RNA) where: Base-Base interactions energy: -360.928 where: short stacking energy: -348.394 Base-Backbone interact. energy: 2.976 local terms energy: -624.652821 where: bonds (distance) C4'-P energy: -139.087 bonds (distance) P-C4' energy: -178.259 flat angles C4'-P-C4' energy: -154.863 flat angles P-C4'-P energy: -102.507 tors. eta vs tors. theta energy: -49.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -934.949169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.949169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.949169 (E_RNA) where: Base-Base interactions energy: -356.514 where: short stacking energy: -353.113 Base-Backbone interact. energy: 2.341 local terms energy: -580.775957 where: bonds (distance) C4'-P energy: -165.066 bonds (distance) P-C4' energy: -153.120 flat angles C4'-P-C4' energy: -141.672 flat angles P-C4'-P energy: -60.795 tors. eta vs tors. theta energy: -60.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -828.423358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.423358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.423358 (E_RNA) where: Base-Base interactions energy: -263.166 where: short stacking energy: -233.917 Base-Backbone interact. energy: 1.238 local terms energy: -566.495869 where: bonds (distance) C4'-P energy: -148.991 bonds (distance) P-C4' energy: -170.464 flat angles C4'-P-C4' energy: -141.717 flat angles P-C4'-P energy: -106.239 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -763.695717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.695717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.695717 (E_RNA) where: Base-Base interactions energy: -269.337 where: short stacking energy: -244.937 Base-Backbone interact. energy: -1.675 local terms energy: -492.683078 where: bonds (distance) C4'-P energy: -149.671 bonds (distance) P-C4' energy: -152.270 flat angles C4'-P-C4' energy: -131.070 flat angles P-C4'-P energy: -56.275 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -690.080443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.080443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.080443 (E_RNA) where: Base-Base interactions energy: -242.921 where: short stacking energy: -217.968 Base-Backbone interact. energy: 1.588 local terms energy: -448.746860 where: bonds (distance) C4'-P energy: -141.650 bonds (distance) P-C4' energy: -127.917 flat angles C4'-P-C4' energy: -119.739 flat angles P-C4'-P energy: -78.410 tors. eta vs tors. theta energy: 18.970 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1512.243217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.243217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.243217 (E_RNA) where: Base-Base interactions energy: -634.300 where: short stacking energy: -603.674 Base-Backbone interact. energy: -0.636 local terms energy: -877.307120 where: bonds (distance) C4'-P energy: -194.651 bonds (distance) P-C4' energy: -191.235 flat angles C4'-P-C4' energy: -197.048 flat angles P-C4'-P energy: -141.050 tors. eta vs tors. theta energy: -153.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1432.985494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.985494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.985494 (E_RNA) where: Base-Base interactions energy: -604.941 where: short stacking energy: -524.625 Base-Backbone interact. energy: -0.667 local terms energy: -827.376905 where: bonds (distance) C4'-P energy: -181.998 bonds (distance) P-C4' energy: -184.651 flat angles C4'-P-C4' energy: -195.259 flat angles P-C4'-P energy: -132.786 tors. eta vs tors. theta energy: -132.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1307.797176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.797176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.797176 (E_RNA) where: Base-Base interactions energy: -550.314 where: short stacking energy: -527.120 Base-Backbone interact. energy: 1.074 local terms energy: -758.557881 where: bonds (distance) C4'-P energy: -182.183 bonds (distance) P-C4' energy: -172.105 flat angles C4'-P-C4' energy: -195.280 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -109.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1136.834336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.834336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.834336 (E_RNA) where: Base-Base interactions energy: -432.921 where: short stacking energy: -407.212 Base-Backbone interact. energy: -0.655 local terms energy: -703.259026 where: bonds (distance) C4'-P energy: -166.379 bonds (distance) P-C4' energy: -177.683 flat angles C4'-P-C4' energy: -174.815 flat angles P-C4'-P energy: -104.440 tors. eta vs tors. theta energy: -79.943 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: 4 Temperature: 1.100000 Total energy: -1063.961961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.961961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.961961 (E_RNA) where: Base-Base interactions energy: -418.227 where: short stacking energy: -396.323 Base-Backbone interact. energy: 3.241 local terms energy: -648.976262 where: bonds (distance) C4'-P energy: -156.097 bonds (distance) P-C4' energy: -172.941 flat angles C4'-P-C4' energy: -163.557 flat angles P-C4'-P energy: -91.108 tors. eta vs tors. theta energy: -65.274 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: 4 Temperature: 1.150000 Total energy: -959.420861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.420861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.420861 (E_RNA) where: Base-Base interactions energy: -362.794 where: short stacking energy: -332.932 Base-Backbone interact. energy: 0.682 local terms energy: -597.309428 where: bonds (distance) C4'-P energy: -143.444 bonds (distance) P-C4' energy: -169.805 flat angles C4'-P-C4' energy: -152.646 flat angles P-C4'-P energy: -99.542 tors. eta vs tors. theta energy: -31.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -840.614316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.614316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.614316 (E_RNA) where: Base-Base interactions energy: -310.351 where: short stacking energy: -266.270 Base-Backbone interact. energy: 0.151 local terms energy: -530.414510 where: bonds (distance) C4'-P energy: -157.452 bonds (distance) P-C4' energy: -159.548 flat angles C4'-P-C4' energy: -149.120 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: 8.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -788.774482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.774482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.774482 (E_RNA) where: Base-Base interactions energy: -254.797 where: short stacking energy: -245.614 Base-Backbone interact. energy: -0.595 local terms energy: -533.381699 where: bonds (distance) C4'-P energy: -150.217 bonds (distance) P-C4' energy: -154.961 flat angles C4'-P-C4' energy: -153.558 flat angles P-C4'-P energy: -75.047 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -738.111050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.111050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.111050 (E_RNA) where: Base-Base interactions energy: -260.180 where: short stacking energy: -227.416 Base-Backbone interact. energy: 0.217 local terms energy: -478.147526 where: bonds (distance) C4'-P energy: -143.028 bonds (distance) P-C4' energy: -168.837 flat angles C4'-P-C4' energy: -121.420 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: 15.104 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: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -707.172622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.172622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.172622 (E_RNA) where: Base-Base interactions energy: -225.234 where: short stacking energy: -194.613 Base-Backbone interact. energy: 6.297 local terms energy: -488.235260 where: bonds (distance) C4'-P energy: -156.398 bonds (distance) P-C4' energy: -161.489 flat angles C4'-P-C4' energy: -126.064 flat angles P-C4'-P energy: -77.099 tors. eta vs tors. theta energy: 32.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1512.763723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.763723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.763723 (E_RNA) where: Base-Base interactions energy: -669.462 where: short stacking energy: -645.743 Base-Backbone interact. energy: -0.530 local terms energy: -842.771748 where: bonds (distance) C4'-P energy: -183.717 bonds (distance) P-C4' energy: -192.443 flat angles C4'-P-C4' energy: -190.465 flat angles P-C4'-P energy: -131.714 tors. eta vs tors. theta energy: -144.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1475.206582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.206582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.206582 (E_RNA) where: Base-Base interactions energy: -689.603 where: short stacking energy: -570.357 Base-Backbone interact. energy: -0.647 local terms energy: -784.956876 where: bonds (distance) C4'-P energy: -178.056 bonds (distance) P-C4' energy: -177.908 flat angles C4'-P-C4' energy: -189.059 flat angles P-C4'-P energy: -116.412 tors. eta vs tors. theta energy: -123.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1429.041562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.041562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.041562 (E_RNA) where: Base-Base interactions energy: -612.768 where: short stacking energy: -554.834 Base-Backbone interact. energy: -0.932 local terms energy: -815.341407 where: bonds (distance) C4'-P energy: -179.166 bonds (distance) P-C4' energy: -196.624 flat angles C4'-P-C4' energy: -191.100 flat angles P-C4'-P energy: -104.099 tors. eta vs tors. theta energy: -144.353 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1185.209857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.209857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.209857 (E_RNA) where: Base-Base interactions energy: -485.777 where: short stacking energy: -454.499 Base-Backbone interact. energy: 0.942 local terms energy: -700.374627 where: bonds (distance) C4'-P energy: -168.436 bonds (distance) P-C4' energy: -167.438 flat angles C4'-P-C4' energy: -157.175 flat angles P-C4'-P energy: -117.202 tors. eta vs tors. theta energy: -90.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1101.010223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.010223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.010223 (E_RNA) where: Base-Base interactions energy: -439.860 where: short stacking energy: -423.186 Base-Backbone interact. energy: 0.754 local terms energy: -661.903770 where: bonds (distance) C4'-P energy: -154.524 bonds (distance) P-C4' energy: -169.198 flat angles C4'-P-C4' energy: -187.434 flat angles P-C4'-P energy: -86.279 tors. eta vs tors. theta energy: -64.469 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: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -986.450524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.450524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.450524 (E_RNA) where: Base-Base interactions energy: -399.343 where: short stacking energy: -338.400 Base-Backbone interact. energy: -2.242 local terms energy: -584.865849 where: bonds (distance) C4'-P energy: -157.435 bonds (distance) P-C4' energy: -137.961 flat angles C4'-P-C4' energy: -154.277 flat angles P-C4'-P energy: -95.764 tors. eta vs tors. theta energy: -39.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -990.789199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.789199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.789199 (E_RNA) where: Base-Base interactions energy: -411.980 where: short stacking energy: -314.723 Base-Backbone interact. energy: 3.113 local terms energy: -581.922147 where: bonds (distance) C4'-P energy: -159.622 bonds (distance) P-C4' energy: -160.082 flat angles C4'-P-C4' energy: -138.311 flat angles P-C4'-P energy: -89.229 tors. eta vs tors. theta energy: -34.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -802.567138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.567138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.567138 (E_RNA) where: Base-Base interactions energy: -291.571 where: short stacking energy: -257.326 Base-Backbone interact. energy: -1.919 local terms energy: -509.077424 where: bonds (distance) C4'-P energy: -146.328 bonds (distance) P-C4' energy: -152.023 flat angles C4'-P-C4' energy: -139.883 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: 3.059 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: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -740.147954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.147954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.147954 (E_RNA) where: Base-Base interactions energy: -270.507 where: short stacking energy: -226.430 Base-Backbone interact. energy: 2.662 local terms energy: -472.302987 where: bonds (distance) C4'-P energy: -141.216 bonds (distance) P-C4' energy: -150.426 flat angles C4'-P-C4' energy: -120.960 flat angles P-C4'-P energy: -69.863 tors. eta vs tors. theta energy: 10.162 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -697.444889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.444889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.444889 (E_RNA) where: Base-Base interactions energy: -211.616 where: short stacking energy: -198.476 Base-Backbone interact. energy: -1.579 local terms energy: -484.249837 where: bonds (distance) C4'-P energy: -123.084 bonds (distance) P-C4' energy: -164.705 flat angles C4'-P-C4' energy: -121.159 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: 15.416 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: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1695.815581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.815581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.815581 (E_RNA) where: Base-Base interactions energy: -850.783 where: short stacking energy: -642.900 Base-Backbone interact. energy: -2.482 local terms energy: -842.551047 where: bonds (distance) C4'-P energy: -197.896 bonds (distance) P-C4' energy: -173.126 flat angles C4'-P-C4' energy: -186.671 flat angles P-C4'-P energy: -121.279 tors. eta vs tors. theta energy: -163.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1445.597718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.597718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.597718 (E_RNA) where: Base-Base interactions energy: -632.779 where: short stacking energy: -590.512 Base-Backbone interact. energy: -1.223 local terms energy: -811.595691 where: bonds (distance) C4'-P energy: -167.972 bonds (distance) P-C4' energy: -183.165 flat angles C4'-P-C4' energy: -184.978 flat angles P-C4'-P energy: -131.416 tors. eta vs tors. theta energy: -144.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1330.786579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.786579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.786579 (E_RNA) where: Base-Base interactions energy: -589.686 where: short stacking energy: -506.221 Base-Backbone interact. energy: -1.572 local terms energy: -739.527718 where: bonds (distance) C4'-P energy: -151.756 bonds (distance) P-C4' energy: -172.106 flat angles C4'-P-C4' energy: -166.362 flat angles P-C4'-P energy: -126.254 tors. eta vs tors. theta energy: -123.051 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1161.845833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.845833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.845833 (E_RNA) where: Base-Base interactions energy: -476.295 where: short stacking energy: -444.377 Base-Backbone interact. energy: 0.348 local terms energy: -685.899176 where: bonds (distance) C4'-P energy: -152.915 bonds (distance) P-C4' energy: -175.406 flat angles C4'-P-C4' energy: -163.573 flat angles P-C4'-P energy: -112.367 tors. eta vs tors. theta energy: -81.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1080.552511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.552511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.552511 (E_RNA) where: Base-Base interactions energy: -386.898 where: short stacking energy: -375.254 Base-Backbone interact. energy: 1.115 local terms energy: -694.769817 where: bonds (distance) C4'-P energy: -181.354 bonds (distance) P-C4' energy: -173.226 flat angles C4'-P-C4' energy: -170.289 flat angles P-C4'-P energy: -92.825 tors. eta vs tors. theta energy: -77.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1023.530583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.530583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.530583 (E_RNA) where: Base-Base interactions energy: -399.652 where: short stacking energy: -313.654 Base-Backbone interact. energy: 3.939 local terms energy: -627.817089 where: bonds (distance) C4'-P energy: -165.168 bonds (distance) P-C4' energy: -172.222 flat angles C4'-P-C4' energy: -153.022 flat angles P-C4'-P energy: -98.978 tors. eta vs tors. theta energy: -38.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1024.180678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.180678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.180678 (E_RNA) where: Base-Base interactions energy: -455.536 where: short stacking energy: -344.989 Base-Backbone interact. energy: -0.056 local terms energy: -568.588132 where: bonds (distance) C4'-P energy: -156.782 bonds (distance) P-C4' energy: -159.365 flat angles C4'-P-C4' energy: -142.119 flat angles P-C4'-P energy: -81.178 tors. eta vs tors. theta energy: -29.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -883.128994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.128994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.128994 (E_RNA) where: Base-Base interactions energy: -330.850 where: short stacking energy: -261.032 Base-Backbone interact. energy: -2.780 local terms energy: -549.498924 where: bonds (distance) C4'-P energy: -135.379 bonds (distance) P-C4' energy: -177.081 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -85.722 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: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -733.049829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.049829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.049829 (E_RNA) where: Base-Base interactions energy: -255.114 where: short stacking energy: -224.276 Base-Backbone interact. energy: 6.380 local terms energy: -484.316105 where: bonds (distance) C4'-P energy: -140.841 bonds (distance) P-C4' energy: -147.667 flat angles C4'-P-C4' energy: -130.172 flat angles P-C4'-P energy: -86.915 tors. eta vs tors. theta energy: 21.279 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: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -709.697404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.697404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.697404 (E_RNA) where: Base-Base interactions energy: -232.664 where: short stacking energy: -205.405 Base-Backbone interact. energy: 2.535 local terms energy: -479.568260 where: bonds (distance) C4'-P energy: -142.762 bonds (distance) P-C4' energy: -152.344 flat angles C4'-P-C4' energy: -126.518 flat angles P-C4'-P energy: -74.137 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: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1751.213956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.213956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.213956 (E_RNA) where: Base-Base interactions energy: -891.240 where: short stacking energy: -651.936 Base-Backbone interact. energy: -0.487 local terms energy: -859.486495 where: bonds (distance) C4'-P energy: -190.524 bonds (distance) P-C4' energy: -188.976 flat angles C4'-P-C4' energy: -189.247 flat angles P-C4'-P energy: -122.488 tors. eta vs tors. theta energy: -168.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1434.154975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.154975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.154975 (E_RNA) where: Base-Base interactions energy: -630.432 where: short stacking energy: -574.431 Base-Backbone interact. energy: -1.286 local terms energy: -802.437146 where: bonds (distance) C4'-P energy: -177.920 bonds (distance) P-C4' energy: -186.329 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -124.082 tors. eta vs tors. theta energy: -139.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1381.403641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.403641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.403641 (E_RNA) where: Base-Base interactions energy: -642.551 where: short stacking energy: -508.333 Base-Backbone interact. energy: -1.856 local terms energy: -736.997253 where: bonds (distance) C4'-P energy: -160.321 bonds (distance) P-C4' energy: -182.006 flat angles C4'-P-C4' energy: -180.528 flat angles P-C4'-P energy: -102.081 tors. eta vs tors. theta energy: -112.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1183.953090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.953090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.953090 (E_RNA) where: Base-Base interactions energy: -495.706 where: short stacking energy: -413.525 Base-Backbone interact. energy: -1.576 local terms energy: -686.670785 where: bonds (distance) C4'-P energy: -179.487 bonds (distance) P-C4' energy: -181.039 flat angles C4'-P-C4' energy: -164.748 flat angles P-C4'-P energy: -95.541 tors. eta vs tors. theta energy: -65.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1042.925714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.925714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.925714 (E_RNA) where: Base-Base interactions energy: -399.250 where: short stacking energy: -347.181 Base-Backbone interact. energy: -2.409 local terms energy: -641.266456 where: bonds (distance) C4'-P energy: -150.292 bonds (distance) P-C4' energy: -178.915 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -103.091 tors. eta vs tors. theta energy: -45.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1178.385648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.385648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.385648 (E_RNA) where: Base-Base interactions energy: -567.198 where: short stacking energy: -368.169 Base-Backbone interact. energy: 4.297 local terms energy: -615.484882 where: bonds (distance) C4'-P energy: -166.525 bonds (distance) P-C4' energy: -158.463 flat angles C4'-P-C4' energy: -156.593 flat angles P-C4'-P energy: -91.947 tors. eta vs tors. theta energy: -41.957 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: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -996.941649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.941649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.941649 (E_RNA) where: Base-Base interactions energy: -378.297 where: short stacking energy: -289.958 Base-Backbone interact. energy: 1.917 local terms energy: -620.561647 where: bonds (distance) C4'-P energy: -150.129 bonds (distance) P-C4' energy: -174.137 flat angles C4'-P-C4' energy: -156.472 flat angles P-C4'-P energy: -104.788 tors. eta vs tors. theta energy: -35.036 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: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -821.350682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.350682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.350682 (E_RNA) where: Base-Base interactions energy: -317.065 where: short stacking energy: -235.626 Base-Backbone interact. energy: -1.252 local terms energy: -503.034035 where: bonds (distance) C4'-P energy: -128.714 bonds (distance) P-C4' energy: -166.298 flat angles C4'-P-C4' energy: -146.174 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: 3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -737.130347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.130347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.130347 (E_RNA) where: Base-Base interactions energy: -247.322 where: short stacking energy: -218.579 Base-Backbone interact. energy: 3.974 local terms energy: -493.782841 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -136.259 flat angles P-C4'-P energy: -60.012 tors. eta vs tors. theta energy: 16.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -712.036860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.036860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.036860 (E_RNA) where: Base-Base interactions energy: -289.102 where: short stacking energy: -219.683 Base-Backbone interact. energy: 4.588 local terms energy: -427.522579 where: bonds (distance) C4'-P energy: -149.618 bonds (distance) P-C4' energy: -137.011 flat angles C4'-P-C4' energy: -106.085 flat angles P-C4'-P energy: -57.137 tors. eta vs tors. theta energy: 22.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1792.563029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.563029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.563029 (E_RNA) where: Base-Base interactions energy: -956.739 where: short stacking energy: -665.467 Base-Backbone interact. energy: -2.643 local terms energy: -833.181747 where: bonds (distance) C4'-P energy: -184.403 bonds (distance) P-C4' energy: -192.191 flat angles C4'-P-C4' energy: -176.299 flat angles P-C4'-P energy: -119.484 tors. eta vs tors. theta energy: -160.805 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1433.029025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.029025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.029025 (E_RNA) where: Base-Base interactions energy: -637.305 where: short stacking energy: -593.043 Base-Backbone interact. energy: -1.002 local terms energy: -794.721983 where: bonds (distance) C4'-P energy: -182.726 bonds (distance) P-C4' energy: -191.848 flat angles C4'-P-C4' energy: -185.346 flat angles P-C4'-P energy: -105.137 tors. eta vs tors. theta energy: -129.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1444.410931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.410931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.410931 (E_RNA) where: Base-Base interactions energy: -664.181 where: short stacking energy: -540.312 Base-Backbone interact. energy: 0.357 local terms energy: -780.587447 where: bonds (distance) C4'-P energy: -180.205 bonds (distance) P-C4' energy: -173.534 flat angles C4'-P-C4' energy: -178.811 flat angles P-C4'-P energy: -118.997 tors. eta vs tors. theta energy: -129.041 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1172.757559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.757559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.757559 (E_RNA) where: Base-Base interactions energy: -458.801 where: short stacking energy: -425.130 Base-Backbone interact. energy: -2.512 local terms energy: -711.444558 where: bonds (distance) C4'-P energy: -164.536 bonds (distance) P-C4' energy: -181.429 flat angles C4'-P-C4' energy: -182.186 flat angles P-C4'-P energy: -108.365 tors. eta vs tors. theta energy: -74.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1296.780563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.780563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.780563 (E_RNA) where: Base-Base interactions energy: -645.237 where: short stacking energy: -402.335 Base-Backbone interact. energy: -0.514 local terms energy: -651.030284 where: bonds (distance) C4'-P energy: -142.700 bonds (distance) P-C4' energy: -169.167 flat angles C4'-P-C4' energy: -158.600 flat angles P-C4'-P energy: -110.915 tors. eta vs tors. theta energy: -69.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -976.235251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.235251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.235251 (E_RNA) where: Base-Base interactions energy: -396.517 where: short stacking energy: -316.873 Base-Backbone interact. energy: 3.372 local terms energy: -583.090133 where: bonds (distance) C4'-P energy: -159.363 bonds (distance) P-C4' energy: -173.708 flat angles C4'-P-C4' energy: -139.468 flat angles P-C4'-P energy: -104.431 tors. eta vs tors. theta energy: -6.120 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: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -963.032116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.032116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.032116 (E_RNA) where: Base-Base interactions energy: -406.632 where: short stacking energy: -288.054 Base-Backbone interact. energy: 4.861 local terms energy: -561.261581 where: bonds (distance) C4'-P energy: -141.293 bonds (distance) P-C4' energy: -164.690 flat angles C4'-P-C4' energy: -144.611 flat angles P-C4'-P energy: -103.339 tors. eta vs tors. theta energy: -7.328 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -774.394963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.394963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.394963 (E_RNA) where: Base-Base interactions energy: -254.609 where: short stacking energy: -209.455 Base-Backbone interact. energy: -1.094 local terms energy: -518.691637 where: bonds (distance) C4'-P energy: -158.978 bonds (distance) P-C4' energy: -137.176 flat angles C4'-P-C4' energy: -162.848 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: 19.349 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -814.310634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.310634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.310634 (E_RNA) where: Base-Base interactions energy: -314.368 where: short stacking energy: -248.190 Base-Backbone interact. energy: 3.400 local terms energy: -503.342759 where: bonds (distance) C4'-P energy: -141.984 bonds (distance) P-C4' energy: -137.169 flat angles C4'-P-C4' energy: -145.507 flat angles P-C4'-P energy: -94.938 tors. eta vs tors. theta energy: 16.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -669.588092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.588092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.588092 (E_RNA) where: Base-Base interactions energy: -226.687 where: short stacking energy: -201.385 Base-Backbone interact. energy: -0.356 local terms energy: -442.545445 where: bonds (distance) C4'-P energy: -122.329 bonds (distance) P-C4' energy: -135.998 flat angles C4'-P-C4' energy: -133.306 flat angles P-C4'-P energy: -80.722 tors. eta vs tors. theta energy: 29.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1839.531761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.531761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.531761 (E_RNA) where: Base-Base interactions energy: -977.853 where: short stacking energy: -684.311 Base-Backbone interact. energy: -2.011 local terms energy: -859.667973 where: bonds (distance) C4'-P energy: -188.153 bonds (distance) P-C4' energy: -197.032 flat angles C4'-P-C4' energy: -198.402 flat angles P-C4'-P energy: -114.702 tors. eta vs tors. theta energy: -161.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1676.385646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.385646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.385646 (E_RNA) where: Base-Base interactions energy: -858.251 where: short stacking energy: -558.822 Base-Backbone interact. energy: -2.823 local terms energy: -815.311850 where: bonds (distance) C4'-P energy: -187.923 bonds (distance) P-C4' energy: -182.159 flat angles C4'-P-C4' energy: -181.246 flat angles P-C4'-P energy: -133.415 tors. eta vs tors. theta energy: -130.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1359.800515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.800515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.800515 (E_RNA) where: Base-Base interactions energy: -603.165 where: short stacking energy: -488.389 Base-Backbone interact. energy: -3.092 local terms energy: -753.542997 where: bonds (distance) C4'-P energy: -184.784 bonds (distance) P-C4' energy: -186.510 flat angles C4'-P-C4' energy: -171.818 flat angles P-C4'-P energy: -120.283 tors. eta vs tors. theta energy: -90.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1557.213263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.213263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.213263 (E_RNA) where: Base-Base interactions energy: -843.932 where: short stacking energy: -471.192 Base-Backbone interact. energy: -3.379 local terms energy: -709.902378 where: bonds (distance) C4'-P energy: -165.021 bonds (distance) P-C4' energy: -169.885 flat angles C4'-P-C4' energy: -168.601 flat angles P-C4'-P energy: -106.896 tors. eta vs tors. theta energy: -99.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1166.581503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.581503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.581503 (E_RNA) where: Base-Base interactions energy: -543.031 where: short stacking energy: -352.041 Base-Backbone interact. energy: -1.353 local terms energy: -622.198071 where: bonds (distance) C4'-P energy: -161.996 bonds (distance) P-C4' energy: -160.788 flat angles C4'-P-C4' energy: -177.963 flat angles P-C4'-P energy: -103.116 tors. eta vs tors. theta energy: -18.336 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: 9 Temperature: 1.150000 Total energy: -1061.492601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.492601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.492601 (E_RNA) where: Base-Base interactions energy: -445.963 where: short stacking energy: -356.762 Base-Backbone interact. energy: 2.409 local terms energy: -617.938654 where: bonds (distance) C4'-P energy: -155.795 bonds (distance) P-C4' energy: -176.317 flat angles C4'-P-C4' energy: -143.864 flat angles P-C4'-P energy: -92.868 tors. eta vs tors. theta energy: -49.094 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: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -891.006508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.006508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.006508 (E_RNA) where: Base-Base interactions energy: -354.118 where: short stacking energy: -314.442 Base-Backbone interact. energy: 4.564 local terms energy: -541.453241 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -159.962 flat angles C4'-P-C4' energy: -148.568 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -22.694 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: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -854.340745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.340745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.340745 (E_RNA) where: Base-Base interactions energy: -330.663 where: short stacking energy: -261.343 Base-Backbone interact. energy: 5.006 local terms energy: -528.683056 where: bonds (distance) C4'-P energy: -141.170 bonds (distance) P-C4' energy: -177.908 flat angles C4'-P-C4' energy: -132.295 flat angles P-C4'-P energy: -67.274 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -752.507210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.507210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.507210 (E_RNA) where: Base-Base interactions energy: -265.197 where: short stacking energy: -226.430 Base-Backbone interact. energy: 4.972 local terms energy: -492.281829 where: bonds (distance) C4'-P energy: -133.492 bonds (distance) P-C4' energy: -157.890 flat angles C4'-P-C4' energy: -142.996 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: 16.977 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: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -710.346167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.346167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.346167 (E_RNA) where: Base-Base interactions energy: -263.637 where: short stacking energy: -198.521 Base-Backbone interact. energy: -2.514 local terms energy: -444.194343 where: bonds (distance) C4'-P energy: -152.806 bonds (distance) P-C4' energy: -133.194 flat angles C4'-P-C4' energy: -131.985 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: 21.284 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1853.745618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.745618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.745618 (E_RNA) where: Base-Base interactions energy: -966.492 where: short stacking energy: -688.250 Base-Backbone interact. energy: -1.903 local terms energy: -885.350499 where: bonds (distance) C4'-P energy: -195.903 bonds (distance) P-C4' energy: -177.212 flat angles C4'-P-C4' energy: -202.551 flat angles P-C4'-P energy: -126.205 tors. eta vs tors. theta energy: -183.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1735.670333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.670333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.670333 (E_RNA) where: Base-Base interactions energy: -890.221 where: short stacking energy: -610.758 Base-Backbone interact. energy: 3.378 local terms energy: -848.826659 where: bonds (distance) C4'-P energy: -189.137 bonds (distance) P-C4' energy: -185.315 flat angles C4'-P-C4' energy: -196.838 flat angles P-C4'-P energy: -127.916 tors. eta vs tors. theta energy: -149.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1783.246629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.246629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.246629 (E_RNA) where: Base-Base interactions energy: -994.594 where: short stacking energy: -588.172 Base-Backbone interact. energy: -0.771 local terms energy: -787.881696 where: bonds (distance) C4'-P energy: -176.241 bonds (distance) P-C4' energy: -181.618 flat angles C4'-P-C4' energy: -186.974 flat angles P-C4'-P energy: -104.265 tors. eta vs tors. theta energy: -138.783 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: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1258.979009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.979009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.979009 (E_RNA) where: Base-Base interactions energy: -557.272 where: short stacking energy: -426.751 Base-Backbone interact. energy: 1.790 local terms energy: -703.496700 where: bonds (distance) C4'-P energy: -161.388 bonds (distance) P-C4' energy: -171.709 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -118.933 tors. eta vs tors. theta energy: -87.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1163.454319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.454319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.454319 (E_RNA) where: Base-Base interactions energy: -513.814 where: short stacking energy: -395.985 Base-Backbone interact. energy: -1.355 local terms energy: -648.285339 where: bonds (distance) C4'-P energy: -163.593 bonds (distance) P-C4' energy: -168.898 flat angles C4'-P-C4' energy: -176.087 flat angles P-C4'-P energy: -92.207 tors. eta vs tors. theta energy: -47.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1135.179665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.179665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.179665 (E_RNA) where: Base-Base interactions energy: -544.516 where: short stacking energy: -341.090 Base-Backbone interact. energy: 0.027 local terms energy: -590.691357 where: bonds (distance) C4'-P energy: -152.048 bonds (distance) P-C4' energy: -161.468 flat angles C4'-P-C4' energy: -152.130 flat angles P-C4'-P energy: -89.529 tors. eta vs tors. theta energy: -35.517 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: 10 Temperature: 1.200000 Total energy: -928.227582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.227582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.227582 (E_RNA) where: Base-Base interactions energy: -355.674 where: short stacking energy: -275.290 Base-Backbone interact. energy: 3.535 local terms energy: -576.088386 where: bonds (distance) C4'-P energy: -176.337 bonds (distance) P-C4' energy: -161.551 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -90.002 tors. eta vs tors. theta energy: -2.199 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: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -835.596236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.596236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.596236 (E_RNA) where: Base-Base interactions energy: -320.061 where: short stacking energy: -236.814 Base-Backbone interact. energy: -3.332 local terms energy: -512.202295 where: bonds (distance) C4'-P energy: -156.317 bonds (distance) P-C4' energy: -167.295 flat angles C4'-P-C4' energy: -142.759 flat angles P-C4'-P energy: -72.156 tors. eta vs tors. theta energy: 26.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -752.923324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.923324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.923324 (E_RNA) where: Base-Base interactions energy: -267.422 where: short stacking energy: -217.423 Base-Backbone interact. energy: -0.144 local terms energy: -485.356727 where: bonds (distance) C4'-P energy: -157.543 bonds (distance) P-C4' energy: -162.640 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -80.443 tors. eta vs tors. theta energy: 23.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -723.607015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.607015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.607015 (E_RNA) where: Base-Base interactions energy: -265.621 where: short stacking energy: -203.302 Base-Backbone interact. energy: 0.377 local terms energy: -458.362724 where: bonds (distance) C4'-P energy: -138.966 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -109.653 flat angles P-C4'-P energy: -71.617 tors. eta vs tors. theta energy: 18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1965.726349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.726349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.726349 (E_RNA) where: Base-Base interactions energy: -1080.032 where: short stacking energy: -726.625 Base-Backbone interact. energy: -1.027 local terms energy: -884.666848 where: bonds (distance) C4'-P energy: -181.450 bonds (distance) P-C4' energy: -182.717 flat angles C4'-P-C4' energy: -203.905 flat angles P-C4'-P energy: -139.704 tors. eta vs tors. theta energy: -176.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1911.603310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.603310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.603310 (E_RNA) where: Base-Base interactions energy: -1109.746 where: short stacking energy: -632.248 Base-Backbone interact. energy: 1.605 local terms energy: -803.462842 where: bonds (distance) C4'-P energy: -168.724 bonds (distance) P-C4' energy: -194.193 flat angles C4'-P-C4' energy: -184.680 flat angles P-C4'-P energy: -106.785 tors. eta vs tors. theta energy: -149.081 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: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1617.512010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.512010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.512010 (E_RNA) where: Base-Base interactions energy: -817.129 where: short stacking energy: -551.994 Base-Backbone interact. energy: 0.266 local terms energy: -800.649371 where: bonds (distance) C4'-P energy: -184.674 bonds (distance) P-C4' energy: -190.759 flat angles C4'-P-C4' energy: -194.278 flat angles P-C4'-P energy: -120.361 tors. eta vs tors. theta energy: -110.578 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: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1273.594513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.594513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.594513 (E_RNA) where: Base-Base interactions energy: -571.695 where: short stacking energy: -449.901 Base-Backbone interact. energy: 1.669 local terms energy: -703.567973 where: bonds (distance) C4'-P energy: -173.385 bonds (distance) P-C4' energy: -160.826 flat angles C4'-P-C4' energy: -172.121 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -89.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1294.103653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.103653 (E_RNA) where: Base-Base interactions energy: -649.681 where: short stacking energy: -419.256 Base-Backbone interact. energy: -0.324 local terms energy: -644.098347 where: bonds (distance) C4'-P energy: -167.749 bonds (distance) P-C4' energy: -172.740 flat angles C4'-P-C4' energy: -155.608 flat angles P-C4'-P energy: -95.433 tors. eta vs tors. theta energy: -52.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1253.495812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.495812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.495812 (E_RNA) where: Base-Base interactions energy: -612.500 where: short stacking energy: -394.480 Base-Backbone interact. energy: -1.695 local terms energy: -639.301037 where: bonds (distance) C4'-P energy: -164.306 bonds (distance) P-C4' energy: -162.405 flat angles C4'-P-C4' energy: -155.292 flat angles P-C4'-P energy: -98.003 tors. eta vs tors. theta energy: -59.295 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: 11 Temperature: 1.200000 Total energy: -939.938898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.938898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.938898 (E_RNA) where: Base-Base interactions energy: -397.547 where: short stacking energy: -268.976 Base-Backbone interact. energy: -0.340 local terms energy: -542.051809 where: bonds (distance) C4'-P energy: -148.423 bonds (distance) P-C4' energy: -152.981 flat angles C4'-P-C4' energy: -129.248 flat angles P-C4'-P energy: -90.825 tors. eta vs tors. theta energy: -20.574 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: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -804.740288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.740288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.740288 (E_RNA) where: Base-Base interactions energy: -301.615 where: short stacking energy: -261.294 Base-Backbone interact. energy: -1.237 local terms energy: -501.888455 where: bonds (distance) C4'-P energy: -166.551 bonds (distance) P-C4' energy: -153.116 flat angles C4'-P-C4' energy: -127.136 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: 16.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -841.609843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.609843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.609843 (E_RNA) where: Base-Base interactions energy: -334.900 where: short stacking energy: -223.223 Base-Backbone interact. energy: -2.120 local terms energy: -504.590155 where: bonds (distance) C4'-P energy: -147.557 bonds (distance) P-C4' energy: -141.138 flat angles C4'-P-C4' energy: -149.392 flat angles P-C4'-P energy: -68.932 tors. eta vs tors. theta energy: 2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -789.116555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.116555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.116555 (E_RNA) where: Base-Base interactions energy: -301.856 where: short stacking energy: -211.797 Base-Backbone interact. energy: 5.364 local terms energy: -492.623955 where: bonds (distance) C4'-P energy: -138.455 bonds (distance) P-C4' energy: -160.993 flat angles C4'-P-C4' energy: -133.574 flat angles P-C4'-P energy: -67.788 tors. eta vs tors. theta energy: 8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1954.865003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.865003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.865003 (E_RNA) where: Base-Base interactions energy: -1084.438 where: short stacking energy: -710.143 Base-Backbone interact. energy: -1.637 local terms energy: -868.790397 where: bonds (distance) C4'-P energy: -171.937 bonds (distance) P-C4' energy: -197.176 flat angles C4'-P-C4' energy: -189.439 flat angles P-C4'-P energy: -130.490 tors. eta vs tors. theta energy: -179.748 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: 8 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1915.648023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.648023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.648023 (E_RNA) where: Base-Base interactions energy: -1112.417 where: short stacking energy: -636.502 Base-Backbone interact. energy: -1.940 local terms energy: -801.290431 where: bonds (distance) C4'-P energy: -171.254 bonds (distance) P-C4' energy: -182.915 flat angles C4'-P-C4' energy: -180.951 flat angles P-C4'-P energy: -110.704 tors. eta vs tors. theta energy: -155.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1672.421822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.421822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.421822 (E_RNA) where: Base-Base interactions energy: -859.561 where: short stacking energy: -543.103 Base-Backbone interact. energy: -1.149 local terms energy: -811.711967 where: bonds (distance) C4'-P energy: -167.143 bonds (distance) P-C4' energy: -179.263 flat angles C4'-P-C4' energy: -188.159 flat angles P-C4'-P energy: -128.637 tors. eta vs tors. theta energy: -148.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1284.244602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.244602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.244602 (E_RNA) where: Base-Base interactions energy: -625.606 where: short stacking energy: -430.833 Base-Backbone interact. energy: 4.072 local terms energy: -662.710286 where: bonds (distance) C4'-P energy: -150.209 bonds (distance) P-C4' energy: -176.958 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -94.597 tors. eta vs tors. theta energy: -85.084 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: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1318.370104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.370104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.370104 (E_RNA) where: Base-Base interactions energy: -685.584 where: short stacking energy: -379.226 Base-Backbone interact. energy: -0.281 local terms energy: -632.505129 where: bonds (distance) C4'-P energy: -167.301 bonds (distance) P-C4' energy: -161.868 flat angles C4'-P-C4' energy: -165.416 flat angles P-C4'-P energy: -96.412 tors. eta vs tors. theta energy: -41.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1280.617998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.617998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.617998 (E_RNA) where: Base-Base interactions energy: -643.651 where: short stacking energy: -376.765 Base-Backbone interact. energy: 5.071 local terms energy: -642.038343 where: bonds (distance) C4'-P energy: -165.296 bonds (distance) P-C4' energy: -164.867 flat angles C4'-P-C4' energy: -152.948 flat angles P-C4'-P energy: -99.905 tors. eta vs tors. theta energy: -59.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1010.553607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.553607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.553607 (E_RNA) where: Base-Base interactions energy: -435.200 where: short stacking energy: -307.182 Base-Backbone interact. energy: -2.928 local terms energy: -572.425849 where: bonds (distance) C4'-P energy: -162.581 bonds (distance) P-C4' energy: -148.046 flat angles C4'-P-C4' energy: -136.327 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -37.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -802.191942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.191942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.191942 (E_RNA) where: Base-Base interactions energy: -300.958 where: short stacking energy: -235.553 Base-Backbone interact. energy: 7.002 local terms energy: -508.236175 where: bonds (distance) C4'-P energy: -144.046 bonds (distance) P-C4' energy: -157.935 flat angles C4'-P-C4' energy: -141.767 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: 16.651 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: 9, replica: 5 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -795.060016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.060016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.060016 (E_RNA) where: Base-Base interactions energy: -332.034 where: short stacking energy: -258.109 Base-Backbone interact. energy: -0.209 local terms energy: -462.817069 where: bonds (distance) C4'-P energy: -129.184 bonds (distance) P-C4' energy: -156.017 flat angles C4'-P-C4' energy: -116.698 flat angles P-C4'-P energy: -64.313 tors. eta vs tors. theta energy: 3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -761.604108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.604108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.604108 (E_RNA) where: Base-Base interactions energy: -305.343 where: short stacking energy: -214.963 Base-Backbone interact. energy: 2.867 local terms energy: -459.127733 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -160.903 flat angles C4'-P-C4' energy: -127.276 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: 23.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1926.846409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.846409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.846409 (E_RNA) where: Base-Base interactions energy: -1099.021 where: short stacking energy: -684.722 Base-Backbone interact. energy: 0.615 local terms energy: -828.440486 where: bonds (distance) C4'-P energy: -164.542 bonds (distance) P-C4' energy: -197.331 flat angles C4'-P-C4' energy: -188.071 flat angles P-C4'-P energy: -114.979 tors. eta vs tors. theta energy: -163.517 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: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1992.344374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.344374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.344374 (E_RNA) where: Base-Base interactions energy: -1178.604 where: short stacking energy: -640.213 Base-Backbone interact. energy: -2.795 local terms energy: -810.945662 where: bonds (distance) C4'-P energy: -162.194 bonds (distance) P-C4' energy: -192.439 flat angles C4'-P-C4' energy: -193.680 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -153.493 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: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1632.095384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.095384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.095384 (E_RNA) where: Base-Base interactions energy: -897.650 where: short stacking energy: -484.135 Base-Backbone interact. energy: 0.145 local terms energy: -734.590230 where: bonds (distance) C4'-P energy: -167.017 bonds (distance) P-C4' energy: -184.000 flat angles C4'-P-C4' energy: -170.408 flat angles P-C4'-P energy: -117.027 tors. eta vs tors. theta energy: -96.138 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: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1402.088123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.088123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.088123 (E_RNA) where: Base-Base interactions energy: -733.809 where: short stacking energy: -458.078 Base-Backbone interact. energy: 3.474 local terms energy: -671.753107 where: bonds (distance) C4'-P energy: -169.200 bonds (distance) P-C4' energy: -167.169 flat angles C4'-P-C4' energy: -167.445 flat angles P-C4'-P energy: -93.845 tors. eta vs tors. theta energy: -74.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1200.055858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.055858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.055858 (E_RNA) where: Base-Base interactions energy: -551.632 where: short stacking energy: -379.828 Base-Backbone interact. energy: -0.244 local terms energy: -648.179266 where: bonds (distance) C4'-P energy: -163.622 bonds (distance) P-C4' energy: -178.545 flat angles C4'-P-C4' energy: -154.498 flat angles P-C4'-P energy: -79.832 tors. eta vs tors. theta energy: -71.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1295.641581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.641581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.641581 (E_RNA) where: Base-Base interactions energy: -670.702 where: short stacking energy: -411.776 Base-Backbone interact. energy: 1.213 local terms energy: -626.153358 where: bonds (distance) C4'-P energy: -158.398 bonds (distance) P-C4' energy: -156.646 flat angles C4'-P-C4' energy: -158.329 flat angles P-C4'-P energy: -91.816 tors. eta vs tors. theta energy: -60.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -957.029552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.029552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.029552 (E_RNA) where: Base-Base interactions energy: -401.557 where: short stacking energy: -315.848 Base-Backbone interact. energy: -0.898 local terms energy: -554.573901 where: bonds (distance) C4'-P energy: -143.093 bonds (distance) P-C4' energy: -154.528 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -87.658 tors. eta vs tors. theta energy: -33.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -829.592558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.592558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.592558 (E_RNA) where: Base-Base interactions energy: -304.405 where: short stacking energy: -219.556 Base-Backbone interact. energy: 0.011 local terms energy: -525.198301 where: bonds (distance) C4'-P energy: -134.644 bonds (distance) P-C4' energy: -162.235 flat angles C4'-P-C4' energy: -159.158 flat angles P-C4'-P energy: -83.713 tors. eta vs tors. theta energy: 14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -756.993026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.993026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.993026 (E_RNA) where: Base-Base interactions energy: -291.271 where: short stacking energy: -200.859 Base-Backbone interact. energy: 2.859 local terms energy: -468.581366 where: bonds (distance) C4'-P energy: -147.942 bonds (distance) P-C4' energy: -125.074 flat angles C4'-P-C4' energy: -139.712 flat angles P-C4'-P energy: -69.608 tors. eta vs tors. theta energy: 13.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -762.475671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.475671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.475671 (E_RNA) where: Base-Base interactions energy: -297.867 where: short stacking energy: -188.602 Base-Backbone interact. energy: -0.810 local terms energy: -463.798687 where: bonds (distance) C4'-P energy: -149.543 bonds (distance) P-C4' energy: -144.468 flat angles C4'-P-C4' energy: -116.837 flat angles P-C4'-P energy: -86.585 tors. eta vs tors. theta energy: 33.634 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: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1942.231120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.231120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.231120 (E_RNA) where: Base-Base interactions energy: -1060.700 where: short stacking energy: -660.804 Base-Backbone interact. energy: -2.402 local terms energy: -879.129126 where: bonds (distance) C4'-P energy: -193.247 bonds (distance) P-C4' energy: -177.085 flat angles C4'-P-C4' energy: -202.763 flat angles P-C4'-P energy: -133.776 tors. eta vs tors. theta energy: -172.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2046.818595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.818595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.818595 (E_RNA) where: Base-Base interactions energy: -1233.412 where: short stacking energy: -593.287 Base-Backbone interact. energy: -1.017 local terms energy: -812.389686 where: bonds (distance) C4'-P energy: -177.275 bonds (distance) P-C4' energy: -181.180 flat angles C4'-P-C4' energy: -195.518 flat angles P-C4'-P energy: -118.021 tors. eta vs tors. theta energy: -140.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1673.669383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.669383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.669383 (E_RNA) where: Base-Base interactions energy: -933.646 where: short stacking energy: -548.066 Base-Backbone interact. energy: -1.562 local terms energy: -738.461764 where: bonds (distance) C4'-P energy: -162.968 bonds (distance) P-C4' energy: -167.961 flat angles C4'-P-C4' energy: -192.266 flat angles P-C4'-P energy: -105.050 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: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1530.315253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.315253 (E_RNA) where: Base-Base interactions energy: -821.465 where: short stacking energy: -489.318 Base-Backbone interact. energy: 0.470 local terms energy: -709.320130 where: bonds (distance) C4'-P energy: -186.377 bonds (distance) P-C4' energy: -161.493 flat angles C4'-P-C4' energy: -169.983 flat angles P-C4'-P energy: -94.882 tors. eta vs tors. theta energy: -96.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1406.890278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.890278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.890278 (E_RNA) where: Base-Base interactions energy: -721.747 where: short stacking energy: -441.004 Base-Backbone interact. energy: 0.016 local terms energy: -685.159050 where: bonds (distance) C4'-P energy: -141.751 bonds (distance) P-C4' energy: -171.209 flat angles C4'-P-C4' energy: -185.308 flat angles P-C4'-P energy: -99.754 tors. eta vs tors. theta energy: -87.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1148.728956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.728956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.728956 (E_RNA) where: Base-Base interactions energy: -512.598 where: short stacking energy: -345.297 Base-Backbone interact. energy: 0.021 local terms energy: -636.151742 where: bonds (distance) C4'-P energy: -152.717 bonds (distance) P-C4' energy: -185.306 flat angles C4'-P-C4' energy: -156.766 flat angles P-C4'-P energy: -96.798 tors. eta vs tors. theta energy: -44.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1003.509691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.509691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.509691 (E_RNA) where: Base-Base interactions energy: -430.432 where: short stacking energy: -313.424 Base-Backbone interact. energy: 4.562 local terms energy: -577.640233 where: bonds (distance) C4'-P energy: -172.962 bonds (distance) P-C4' energy: -158.316 flat angles C4'-P-C4' energy: -162.761 flat angles P-C4'-P energy: -74.485 tors. eta vs tors. theta energy: -9.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -898.948906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.948906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.948906 (E_RNA) where: Base-Base interactions energy: -386.060 where: short stacking energy: -273.961 Base-Backbone interact. energy: 0.852 local terms energy: -513.740807 where: bonds (distance) C4'-P energy: -140.892 bonds (distance) P-C4' energy: -166.811 flat angles C4'-P-C4' energy: -135.104 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -797.405105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.405105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.405105 (E_RNA) where: Base-Base interactions energy: -300.830 where: short stacking energy: -228.212 Base-Backbone interact. energy: 7.420 local terms energy: -503.995140 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -141.468 flat angles C4'-P-C4' energy: -157.101 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: 35.624 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: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -774.474969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.474969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.474969 (E_RNA) where: Base-Base interactions energy: -307.288 where: short stacking energy: -207.449 Base-Backbone interact. energy: 1.587 local terms energy: -468.774038 where: bonds (distance) C4'-P energy: -143.958 bonds (distance) P-C4' energy: -146.829 flat angles C4'-P-C4' energy: -140.370 flat angles P-C4'-P energy: -66.556 tors. eta vs tors. theta energy: 28.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2055.257353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.257353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.257353 (E_RNA) where: Base-Base interactions energy: -1141.062 where: short stacking energy: -712.865 Base-Backbone interact. energy: -1.768 local terms energy: -912.427912 where: bonds (distance) C4'-P energy: -194.457 bonds (distance) P-C4' energy: -190.242 flat angles C4'-P-C4' energy: -199.296 flat angles P-C4'-P energy: -128.692 tors. eta vs tors. theta energy: -199.741 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: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2152.558472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.558472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.558472 (E_RNA) where: Base-Base interactions energy: -1279.949 where: short stacking energy: -644.769 Base-Backbone interact. energy: -0.824 local terms energy: -871.785672 where: bonds (distance) C4'-P energy: -184.923 bonds (distance) P-C4' energy: -192.686 flat angles C4'-P-C4' energy: -201.400 flat angles P-C4'-P energy: -128.568 tors. eta vs tors. theta energy: -164.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1754.252504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.252504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.252504 (E_RNA) where: Base-Base interactions energy: -987.854 where: short stacking energy: -536.128 Base-Backbone interact. energy: 2.448 local terms energy: -768.846436 where: bonds (distance) C4'-P energy: -174.291 bonds (distance) P-C4' energy: -180.201 flat angles C4'-P-C4' energy: -180.844 flat angles P-C4'-P energy: -106.137 tors. eta vs tors. theta energy: -127.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1467.580108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.580108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.580108 (E_RNA) where: Base-Base interactions energy: -769.877 where: short stacking energy: -463.606 Base-Backbone interact. energy: -0.019 local terms energy: -697.683591 where: bonds (distance) C4'-P energy: -175.298 bonds (distance) P-C4' energy: -177.706 flat angles C4'-P-C4' energy: -167.136 flat angles P-C4'-P energy: -91.054 tors. eta vs tors. theta energy: -86.490 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: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1365.497196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.497196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.497196 (E_RNA) where: Base-Base interactions energy: -703.112 where: short stacking energy: -396.727 Base-Backbone interact. energy: -0.395 local terms energy: -661.990922 where: bonds (distance) C4'-P energy: -153.076 bonds (distance) P-C4' energy: -167.776 flat angles C4'-P-C4' energy: -173.760 flat angles P-C4'-P energy: -100.872 tors. eta vs tors. theta energy: -66.507 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: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1167.038466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.038466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.038466 (E_RNA) where: Base-Base interactions energy: -583.460 where: short stacking energy: -347.422 Base-Backbone interact. energy: -3.536 local terms energy: -580.042861 where: bonds (distance) C4'-P energy: -154.649 bonds (distance) P-C4' energy: -159.893 flat angles C4'-P-C4' energy: -134.373 flat angles P-C4'-P energy: -90.003 tors. eta vs tors. theta energy: -41.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1115.286613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.286613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.286613 (E_RNA) where: Base-Base interactions energy: -522.696 where: short stacking energy: -345.681 Base-Backbone interact. energy: -1.692 local terms energy: -590.898089 where: bonds (distance) C4'-P energy: -155.054 bonds (distance) P-C4' energy: -168.399 flat angles C4'-P-C4' energy: -159.125 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -24.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -985.863076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.863076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.863076 (E_RNA) where: Base-Base interactions energy: -427.391 where: short stacking energy: -295.931 Base-Backbone interact. energy: -0.350 local terms energy: -558.122092 where: bonds (distance) C4'-P energy: -168.797 bonds (distance) P-C4' energy: -167.045 flat angles C4'-P-C4' energy: -145.602 flat angles P-C4'-P energy: -82.698 tors. eta vs tors. theta energy: 6.021 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: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -764.374082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.374082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.374082 (E_RNA) where: Base-Base interactions energy: -293.289 where: short stacking energy: -225.058 Base-Backbone interact. energy: 2.715 local terms energy: -473.800106 where: bonds (distance) C4'-P energy: -139.641 bonds (distance) P-C4' energy: -150.155 flat angles C4'-P-C4' energy: -131.072 flat angles P-C4'-P energy: -78.925 tors. eta vs tors. theta energy: 25.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -804.389264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.389264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.389264 (E_RNA) where: Base-Base interactions energy: -361.052 where: short stacking energy: -214.113 Base-Backbone interact. energy: 4.087 local terms energy: -447.424652 where: bonds (distance) C4'-P energy: -127.791 bonds (distance) P-C4' energy: -146.911 flat angles C4'-P-C4' energy: -100.583 flat angles P-C4'-P energy: -91.224 tors. eta vs tors. theta energy: 19.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2234.737595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.737595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.737595 (E_RNA) where: Base-Base interactions energy: -1403.391 where: short stacking energy: -726.180 Base-Backbone interact. energy: -5.816 local terms energy: -825.530154 where: bonds (distance) C4'-P energy: -186.424 bonds (distance) P-C4' energy: -172.728 flat angles C4'-P-C4' energy: -173.422 flat angles P-C4'-P energy: -129.283 tors. eta vs tors. theta energy: -163.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1935.486366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.486366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.486366 (E_RNA) where: Base-Base interactions energy: -1106.667 where: short stacking energy: -678.600 Base-Backbone interact. energy: -1.755 local terms energy: -827.064523 where: bonds (distance) C4'-P energy: -159.017 bonds (distance) P-C4' energy: -185.456 flat angles C4'-P-C4' energy: -183.750 flat angles P-C4'-P energy: -114.420 tors. eta vs tors. theta energy: -184.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1808.200585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.200585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.200585 (E_RNA) where: Base-Base interactions energy: -1054.074 where: short stacking energy: -564.471 Base-Backbone interact. energy: -3.284 local terms energy: -750.842236 where: bonds (distance) C4'-P energy: -164.738 bonds (distance) P-C4' energy: -168.702 flat angles C4'-P-C4' energy: -186.783 flat angles P-C4'-P energy: -107.299 tors. eta vs tors. theta energy: -123.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1554.866287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.866287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.866287 (E_RNA) where: Base-Base interactions energy: -798.125 where: short stacking energy: -490.001 Base-Backbone interact. energy: -2.554 local terms energy: -754.186957 where: bonds (distance) C4'-P energy: -163.564 bonds (distance) P-C4' energy: -186.381 flat angles C4'-P-C4' energy: -177.885 flat angles P-C4'-P energy: -116.008 tors. eta vs tors. theta energy: -110.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1418.918033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.918033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.918033 (E_RNA) where: Base-Base interactions energy: -736.907 where: short stacking energy: -426.824 Base-Backbone interact. energy: -2.195 local terms energy: -679.816708 where: bonds (distance) C4'-P energy: -169.069 bonds (distance) P-C4' energy: -175.917 flat angles C4'-P-C4' energy: -159.636 flat angles P-C4'-P energy: -86.698 tors. eta vs tors. theta energy: -88.496 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: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1192.837294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.837294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.837294 (E_RNA) where: Base-Base interactions energy: -574.587 where: short stacking energy: -369.336 Base-Backbone interact. energy: 4.850 local terms energy: -623.100642 where: bonds (distance) C4'-P energy: -159.429 bonds (distance) P-C4' energy: -162.495 flat angles C4'-P-C4' energy: -145.096 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -61.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1241.396522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.396522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.396522 (E_RNA) where: Base-Base interactions energy: -650.834 where: short stacking energy: -384.412 Base-Backbone interact. energy: 0.067 local terms energy: -590.629652 where: bonds (distance) C4'-P energy: -145.138 bonds (distance) P-C4' energy: -147.117 flat angles C4'-P-C4' energy: -160.179 flat angles P-C4'-P energy: -107.181 tors. eta vs tors. theta energy: -31.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -988.477776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.477776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.477776 (E_RNA) where: Base-Base interactions energy: -430.757 where: short stacking energy: -291.632 Base-Backbone interact. energy: 5.069 local terms energy: -562.790016 where: bonds (distance) C4'-P energy: -156.065 bonds (distance) P-C4' energy: -161.398 flat angles C4'-P-C4' energy: -145.643 flat angles P-C4'-P energy: -86.204 tors. eta vs tors. theta energy: -13.480 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: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -861.756812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.756812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.756812 (E_RNA) where: Base-Base interactions energy: -380.649 where: short stacking energy: -279.495 Base-Backbone interact. energy: -1.442 local terms energy: -479.665980 where: bonds (distance) C4'-P energy: -158.631 bonds (distance) P-C4' energy: -158.564 flat angles C4'-P-C4' energy: -111.503 flat angles P-C4'-P energy: -66.313 tors. eta vs tors. theta energy: 15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -685.873479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.873479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.873479 (E_RNA) where: Base-Base interactions energy: -217.666 where: short stacking energy: -175.560 Base-Backbone interact. energy: 2.214 local terms energy: -470.421985 where: bonds (distance) C4'-P energy: -145.158 bonds (distance) P-C4' energy: -167.568 flat angles C4'-P-C4' energy: -125.233 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: 35.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2255.446947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.446947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.446947 (E_RNA) where: Base-Base interactions energy: -1370.442 where: short stacking energy: -730.295 Base-Backbone interact. energy: -3.232 local terms energy: -881.772081 where: bonds (distance) C4'-P energy: -186.736 bonds (distance) P-C4' energy: -185.390 flat angles C4'-P-C4' energy: -194.127 flat angles P-C4'-P energy: -126.985 tors. eta vs tors. theta energy: -188.532 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: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1823.547220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.547220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.547220 (E_RNA) where: Base-Base interactions energy: -1000.477 where: short stacking energy: -585.818 Base-Backbone interact. energy: -0.610 local terms energy: -822.460046 where: bonds (distance) C4'-P energy: -187.314 bonds (distance) P-C4' energy: -180.507 flat angles C4'-P-C4' energy: -204.418 flat angles P-C4'-P energy: -112.517 tors. eta vs tors. theta energy: -137.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1863.046169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.046169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.046169 (E_RNA) where: Base-Base interactions energy: -1109.489 where: short stacking energy: -586.823 Base-Backbone interact. energy: 1.745 local terms energy: -755.302366 where: bonds (distance) C4'-P energy: -181.220 bonds (distance) P-C4' energy: -173.408 flat angles C4'-P-C4' energy: -159.674 flat angles P-C4'-P energy: -106.366 tors. eta vs tors. theta energy: -134.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1572.736659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.736659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.736659 (E_RNA) where: Base-Base interactions energy: -861.647 where: short stacking energy: -501.607 Base-Backbone interact. energy: -2.149 local terms energy: -708.940966 where: bonds (distance) C4'-P energy: -172.093 bonds (distance) P-C4' energy: -159.524 flat angles C4'-P-C4' energy: -171.404 flat angles P-C4'-P energy: -101.172 tors. eta vs tors. theta energy: -104.748 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: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1472.971000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.971000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.971000 (E_RNA) where: Base-Base interactions energy: -794.584 where: short stacking energy: -450.354 Base-Backbone interact. energy: -1.731 local terms energy: -676.656040 where: bonds (distance) C4'-P energy: -166.289 bonds (distance) P-C4' energy: -163.903 flat angles C4'-P-C4' energy: -172.173 flat angles P-C4'-P energy: -92.537 tors. eta vs tors. theta energy: -81.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1252.379419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.379419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.379419 (E_RNA) where: Base-Base interactions energy: -610.351 where: short stacking energy: -369.703 Base-Backbone interact. energy: 1.197 local terms energy: -643.225451 where: bonds (distance) C4'-P energy: -161.987 bonds (distance) P-C4' energy: -179.877 flat angles C4'-P-C4' energy: -165.775 flat angles P-C4'-P energy: -93.309 tors. eta vs tors. theta energy: -42.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1187.753025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.753025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.753025 (E_RNA) where: Base-Base interactions energy: -584.560 where: short stacking energy: -366.622 Base-Backbone interact. energy: -0.476 local terms energy: -602.716930 where: bonds (distance) C4'-P energy: -174.605 bonds (distance) P-C4' energy: -157.751 flat angles C4'-P-C4' energy: -151.647 flat angles P-C4'-P energy: -91.547 tors. eta vs tors. theta energy: -27.167 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: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -885.914554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.914554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.914554 (E_RNA) where: Base-Base interactions energy: -370.057 where: short stacking energy: -266.978 Base-Backbone interact. energy: -1.158 local terms energy: -514.699360 where: bonds (distance) C4'-P energy: -150.835 bonds (distance) P-C4' energy: -160.670 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -80.843 tors. eta vs tors. theta energy: 3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -857.834326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.834326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.834326 (E_RNA) where: Base-Base interactions energy: -371.065 where: short stacking energy: -213.032 Base-Backbone interact. energy: 0.629 local terms energy: -487.398562 where: bonds (distance) C4'-P energy: -148.161 bonds (distance) P-C4' energy: -144.053 flat angles C4'-P-C4' energy: -133.642 flat angles P-C4'-P energy: -61.335 tors. eta vs tors. theta energy: -0.207 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: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -699.296323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.296323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.296323 (E_RNA) where: Base-Base interactions energy: -229.516 where: short stacking energy: -220.626 Base-Backbone interact. energy: 1.165 local terms energy: -470.946139 where: bonds (distance) C4'-P energy: -143.692 bonds (distance) P-C4' energy: -158.915 flat angles C4'-P-C4' energy: -123.044 flat angles P-C4'-P energy: -66.501 tors. eta vs tors. theta energy: 21.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2338.112572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.112572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.112572 (E_RNA) where: Base-Base interactions energy: -1464.795 where: short stacking energy: -724.854 Base-Backbone interact. energy: -3.700 local terms energy: -869.618321 where: bonds (distance) C4'-P energy: -180.611 bonds (distance) P-C4' energy: -183.745 flat angles C4'-P-C4' energy: -188.471 flat angles P-C4'-P energy: -113.307 tors. eta vs tors. theta energy: -203.484 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: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1817.598698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.598698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.598698 (E_RNA) where: Base-Base interactions energy: -1019.876 where: short stacking energy: -642.421 Base-Backbone interact. energy: -4.481 local terms energy: -793.240802 where: bonds (distance) C4'-P energy: -156.694 bonds (distance) P-C4' energy: -177.591 flat angles C4'-P-C4' energy: -181.895 flat angles P-C4'-P energy: -111.384 tors. eta vs tors. theta energy: -165.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1802.088991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.088991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.088991 (E_RNA) where: Base-Base interactions energy: -1043.870 where: short stacking energy: -596.697 Base-Backbone interact. energy: -2.035 local terms energy: -756.184272 where: bonds (distance) C4'-P energy: -171.379 bonds (distance) P-C4' energy: -177.002 flat angles C4'-P-C4' energy: -191.502 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -121.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1696.006996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.006996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.006996 (E_RNA) where: Base-Base interactions energy: -955.208 where: short stacking energy: -546.316 Base-Backbone interact. energy: -2.729 local terms energy: -738.070379 where: bonds (distance) C4'-P energy: -167.752 bonds (distance) P-C4' energy: -172.348 flat angles C4'-P-C4' energy: -153.257 flat angles P-C4'-P energy: -123.365 tors. eta vs tors. theta energy: -121.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1540.187220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.187220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.187220 (E_RNA) where: Base-Base interactions energy: -832.408 where: short stacking energy: -457.249 Base-Backbone interact. energy: -3.195 local terms energy: -704.583563 where: bonds (distance) C4'-P energy: -157.238 bonds (distance) P-C4' energy: -166.160 flat angles C4'-P-C4' energy: -180.391 flat angles P-C4'-P energy: -102.056 tors. eta vs tors. theta energy: -98.739 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: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1348.247853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.247853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.247853 (E_RNA) where: Base-Base interactions energy: -698.936 where: short stacking energy: -393.715 Base-Backbone interact. energy: 2.139 local terms energy: -651.451048 where: bonds (distance) C4'-P energy: -149.723 bonds (distance) P-C4' energy: -168.130 flat angles C4'-P-C4' energy: -150.577 flat angles P-C4'-P energy: -104.195 tors. eta vs tors. theta energy: -78.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1174.250405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.250405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.250405 (E_RNA) where: Base-Base interactions energy: -613.148 where: short stacking energy: -340.466 Base-Backbone interact. energy: -3.131 local terms energy: -557.971800 where: bonds (distance) C4'-P energy: -155.011 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -120.559 flat angles P-C4'-P energy: -102.371 tors. eta vs tors. theta energy: -37.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -935.993953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.993953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.993953 (E_RNA) where: Base-Base interactions energy: -404.209 where: short stacking energy: -283.360 Base-Backbone interact. energy: 0.879 local terms energy: -532.664042 where: bonds (distance) C4'-P energy: -154.363 bonds (distance) P-C4' energy: -162.823 flat angles C4'-P-C4' energy: -148.521 flat angles P-C4'-P energy: -62.310 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -825.847932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.847932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.847932 (E_RNA) where: Base-Base interactions energy: -349.480 where: short stacking energy: -227.425 Base-Backbone interact. energy: 2.982 local terms energy: -479.349556 where: bonds (distance) C4'-P energy: -132.575 bonds (distance) P-C4' energy: -170.403 flat angles C4'-P-C4' energy: -118.925 flat angles P-C4'-P energy: -81.137 tors. eta vs tors. theta energy: 23.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -644.635585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.635585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.635585 (E_RNA) where: Base-Base interactions energy: -216.538 where: short stacking energy: -176.181 Base-Backbone interact. energy: -2.013 local terms energy: -426.084377 where: bonds (distance) C4'-P energy: -136.746 bonds (distance) P-C4' energy: -139.287 flat angles C4'-P-C4' energy: -144.194 flat angles P-C4'-P energy: -55.345 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: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2346.424296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.424296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.424296 (E_RNA) where: Base-Base interactions energy: -1494.647 where: short stacking energy: -731.318 Base-Backbone interact. energy: -0.436 local terms energy: -851.341214 where: bonds (distance) C4'-P energy: -178.961 bonds (distance) P-C4' energy: -170.415 flat angles C4'-P-C4' energy: -182.163 flat angles P-C4'-P energy: -127.802 tors. eta vs tors. theta energy: -192.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1956.376473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.376473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.376473 (E_RNA) where: Base-Base interactions energy: -1146.357 where: short stacking energy: -639.492 Base-Backbone interact. energy: 4.499 local terms energy: -814.518559 where: bonds (distance) C4'-P energy: -177.977 bonds (distance) P-C4' energy: -185.829 flat angles C4'-P-C4' energy: -176.733 flat angles P-C4'-P energy: -126.733 tors. eta vs tors. theta energy: -147.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1768.785743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.785743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.785743 (E_RNA) where: Base-Base interactions energy: -995.306 where: short stacking energy: -612.875 Base-Backbone interact. energy: -1.792 local terms energy: -771.687585 where: bonds (distance) C4'-P energy: -160.891 bonds (distance) P-C4' energy: -168.467 flat angles C4'-P-C4' energy: -177.129 flat angles P-C4'-P energy: -101.759 tors. eta vs tors. theta energy: -163.442 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: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1677.080575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.080575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.080575 (E_RNA) where: Base-Base interactions energy: -948.165 where: short stacking energy: -516.257 Base-Backbone interact. energy: -0.738 local terms energy: -728.177380 where: bonds (distance) C4'-P energy: -162.663 bonds (distance) P-C4' energy: -171.673 flat angles C4'-P-C4' energy: -177.353 flat angles P-C4'-P energy: -112.643 tors. eta vs tors. theta energy: -103.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1591.507259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.507259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.507259 (E_RNA) where: Base-Base interactions energy: -892.095 where: short stacking energy: -480.090 Base-Backbone interact. energy: -0.990 local terms energy: -698.422277 where: bonds (distance) C4'-P energy: -149.348 bonds (distance) P-C4' energy: -170.494 flat angles C4'-P-C4' energy: -176.037 flat angles P-C4'-P energy: -110.840 tors. eta vs tors. theta energy: -91.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1376.403476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.403476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.403476 (E_RNA) where: Base-Base interactions energy: -740.493 where: short stacking energy: -450.938 Base-Backbone interact. energy: -1.197 local terms energy: -634.713311 where: bonds (distance) C4'-P energy: -150.829 bonds (distance) P-C4' energy: -158.737 flat angles C4'-P-C4' energy: -153.984 flat angles P-C4'-P energy: -92.552 tors. eta vs tors. theta energy: -78.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1269.352752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.352752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.352752 (E_RNA) where: Base-Base interactions energy: -676.070 where: short stacking energy: -413.050 Base-Backbone interact. energy: -0.531 local terms energy: -592.751706 where: bonds (distance) C4'-P energy: -153.266 bonds (distance) P-C4' energy: -143.701 flat angles C4'-P-C4' energy: -166.833 flat angles P-C4'-P energy: -87.673 tors. eta vs tors. theta energy: -41.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -968.578981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.578981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.578981 (E_RNA) where: Base-Base interactions energy: -447.751 where: short stacking energy: -275.639 Base-Backbone interact. energy: 10.479 local terms energy: -531.306606 where: bonds (distance) C4'-P energy: -160.943 bonds (distance) P-C4' energy: -161.354 flat angles C4'-P-C4' energy: -123.623 flat angles P-C4'-P energy: -78.347 tors. eta vs tors. theta energy: -7.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -855.007175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.007175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.007175 (E_RNA) where: Base-Base interactions energy: -371.300 where: short stacking energy: -241.613 Base-Backbone interact. energy: 1.238 local terms energy: -484.945666 where: bonds (distance) C4'-P energy: -135.144 bonds (distance) P-C4' energy: -171.917 flat angles C4'-P-C4' energy: -117.214 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: 13.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -666.815145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.815145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.815145 (E_RNA) where: Base-Base interactions energy: -211.532 where: short stacking energy: -181.409 Base-Backbone interact. energy: 0.318 local terms energy: -455.601583 where: bonds (distance) C4'-P energy: -151.975 bonds (distance) P-C4' energy: -137.085 flat angles C4'-P-C4' energy: -132.995 flat angles P-C4'-P energy: -66.849 tors. eta vs tors. theta energy: 33.303 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: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2376.510482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.510482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.510482 (E_RNA) where: Base-Base interactions energy: -1463.769 where: short stacking energy: -727.817 Base-Backbone interact. energy: -0.708 local terms energy: -912.033215 where: bonds (distance) C4'-P energy: -176.834 bonds (distance) P-C4' energy: -193.164 flat angles C4'-P-C4' energy: -198.318 flat angles P-C4'-P energy: -133.911 tors. eta vs tors. theta energy: -209.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1973.772403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.772403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.772403 (E_RNA) where: Base-Base interactions energy: -1170.892 where: short stacking energy: -652.960 Base-Backbone interact. energy: 5.294 local terms energy: -808.173912 where: bonds (distance) C4'-P energy: -160.976 bonds (distance) P-C4' energy: -181.065 flat angles C4'-P-C4' energy: -194.315 flat angles P-C4'-P energy: -114.605 tors. eta vs tors. theta energy: -157.212 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1816.547185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.547185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.547185 (E_RNA) where: Base-Base interactions energy: -1057.369 where: short stacking energy: -582.192 Base-Backbone interact. energy: -4.320 local terms energy: -754.858003 where: bonds (distance) C4'-P energy: -182.869 bonds (distance) P-C4' energy: -174.284 flat angles C4'-P-C4' energy: -173.607 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -124.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1709.556567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.556567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.556567 (E_RNA) where: Base-Base interactions energy: -960.940 where: short stacking energy: -518.039 Base-Backbone interact. energy: -1.334 local terms energy: -747.282477 where: bonds (distance) C4'-P energy: -180.538 bonds (distance) P-C4' energy: -165.605 flat angles C4'-P-C4' energy: -174.816 flat angles P-C4'-P energy: -122.634 tors. eta vs tors. theta energy: -103.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1638.174810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.174810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.174810 (E_RNA) where: Base-Base interactions energy: -952.561 where: short stacking energy: -497.194 Base-Backbone interact. energy: 4.037 local terms energy: -689.650904 where: bonds (distance) C4'-P energy: -166.440 bonds (distance) P-C4' energy: -176.190 flat angles C4'-P-C4' energy: -144.447 flat angles P-C4'-P energy: -98.565 tors. eta vs tors. theta energy: -104.009 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: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1302.573370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.573370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.573370 (E_RNA) where: Base-Base interactions energy: -682.720 where: short stacking energy: -427.250 Base-Backbone interact. energy: -2.221 local terms energy: -617.632215 where: bonds (distance) C4'-P energy: -167.249 bonds (distance) P-C4' energy: -158.956 flat angles C4'-P-C4' energy: -151.376 flat angles P-C4'-P energy: -84.277 tors. eta vs tors. theta energy: -55.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1201.347695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.347695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.347695 (E_RNA) where: Base-Base interactions energy: -596.854 where: short stacking energy: -377.395 Base-Backbone interact. energy: -0.831 local terms energy: -603.662977 where: bonds (distance) C4'-P energy: -166.155 bonds (distance) P-C4' energy: -162.866 flat angles C4'-P-C4' energy: -148.608 flat angles P-C4'-P energy: -85.274 tors. eta vs tors. theta energy: -40.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1030.796215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.796215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.796215 (E_RNA) where: Base-Base interactions energy: -514.686 where: short stacking energy: -310.575 Base-Backbone interact. energy: 5.563 local terms energy: -521.672843 where: bonds (distance) C4'-P energy: -155.507 bonds (distance) P-C4' energy: -153.318 flat angles C4'-P-C4' energy: -127.399 flat angles P-C4'-P energy: -83.799 tors. eta vs tors. theta energy: -1.650 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: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -919.800415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.800415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.800415 (E_RNA) where: Base-Base interactions energy: -398.984 where: short stacking energy: -253.211 Base-Backbone interact. energy: 11.741 local terms energy: -532.557179 where: bonds (distance) C4'-P energy: -143.521 bonds (distance) P-C4' energy: -169.620 flat angles C4'-P-C4' energy: -153.050 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -12.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -702.552662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.552662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.552662 (E_RNA) where: Base-Base interactions energy: -216.803 where: short stacking energy: -200.142 Base-Backbone interact. energy: -0.298 local terms energy: -485.451746 where: bonds (distance) C4'-P energy: -147.670 bonds (distance) P-C4' energy: -150.633 flat angles C4'-P-C4' energy: -133.326 flat angles P-C4'-P energy: -83.045 tors. eta vs tors. theta energy: 29.222 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: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2399.113730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.113730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.113730 (E_RNA) where: Base-Base interactions energy: -1510.905 where: short stacking energy: -728.508 Base-Backbone interact. energy: -1.739 local terms energy: -886.470095 where: bonds (distance) C4'-P energy: -177.813 bonds (distance) P-C4' energy: -190.397 flat angles C4'-P-C4' energy: -193.953 flat angles P-C4'-P energy: -140.362 tors. eta vs tors. theta energy: -183.945 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: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2030.315501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.315501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.315501 (E_RNA) where: Base-Base interactions energy: -1215.797 where: short stacking energy: -641.341 Base-Backbone interact. energy: -2.868 local terms energy: -811.651060 where: bonds (distance) C4'-P energy: -173.420 bonds (distance) P-C4' energy: -198.494 flat angles C4'-P-C4' energy: -173.113 flat angles P-C4'-P energy: -103.707 tors. eta vs tors. theta energy: -162.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1862.096039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.096039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.096039 (E_RNA) where: Base-Base interactions energy: -1099.882 where: short stacking energy: -573.194 Base-Backbone interact. energy: -0.921 local terms energy: -761.293344 where: bonds (distance) C4'-P energy: -170.542 bonds (distance) P-C4' energy: -179.158 flat angles C4'-P-C4' energy: -161.963 flat angles P-C4'-P energy: -115.208 tors. eta vs tors. theta energy: -134.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1740.079749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.079749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.079749 (E_RNA) where: Base-Base interactions energy: -988.533 where: short stacking energy: -549.055 Base-Backbone interact. energy: -4.357 local terms energy: -747.190010 where: bonds (distance) C4'-P energy: -168.644 bonds (distance) P-C4' energy: -162.500 flat angles C4'-P-C4' energy: -176.879 flat angles P-C4'-P energy: -112.022 tors. eta vs tors. theta energy: -127.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1646.367254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.367254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.367254 (E_RNA) where: Base-Base interactions energy: -953.536 where: short stacking energy: -487.833 Base-Backbone interact. energy: -3.475 local terms energy: -689.356500 where: bonds (distance) C4'-P energy: -162.205 bonds (distance) P-C4' energy: -168.208 flat angles C4'-P-C4' energy: -161.169 flat angles P-C4'-P energy: -112.507 tors. eta vs tors. theta energy: -85.268 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: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1245.045927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.045927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.045927 (E_RNA) where: Base-Base interactions energy: -622.123 where: short stacking energy: -382.403 Base-Backbone interact. energy: -1.168 local terms energy: -621.755402 where: bonds (distance) C4'-P energy: -156.497 bonds (distance) P-C4' energy: -156.709 flat angles C4'-P-C4' energy: -158.755 flat angles P-C4'-P energy: -96.638 tors. eta vs tors. theta energy: -53.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1361.196238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.196238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.196238 (E_RNA) where: Base-Base interactions energy: -741.446 where: short stacking energy: -388.453 Base-Backbone interact. energy: -1.547 local terms energy: -618.202896 where: bonds (distance) C4'-P energy: -163.447 bonds (distance) P-C4' energy: -163.455 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -106.975 tors. eta vs tors. theta energy: -44.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1063.601733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.601733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.601733 (E_RNA) where: Base-Base interactions energy: -535.532 where: short stacking energy: -287.195 Base-Backbone interact. energy: -2.025 local terms energy: -526.044589 where: bonds (distance) C4'-P energy: -132.087 bonds (distance) P-C4' energy: -170.680 flat angles C4'-P-C4' energy: -136.693 flat angles P-C4'-P energy: -84.274 tors. eta vs tors. theta energy: -2.309 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: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -917.383698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.383698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.383698 (E_RNA) where: Base-Base interactions energy: -411.840 where: short stacking energy: -249.305 Base-Backbone interact. energy: 8.660 local terms energy: -514.204175 where: bonds (distance) C4'-P energy: -155.307 bonds (distance) P-C4' energy: -157.098 flat angles C4'-P-C4' energy: -140.695 flat angles P-C4'-P energy: -71.271 tors. eta vs tors. theta energy: 10.167 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: 5 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -665.820480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.820480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.820480 (E_RNA) where: Base-Base interactions energy: -257.109 where: short stacking energy: -189.759 Base-Backbone interact. energy: 0.389 local terms energy: -409.100528 where: bonds (distance) C4'-P energy: -128.020 bonds (distance) P-C4' energy: -142.933 flat angles C4'-P-C4' energy: -127.602 flat angles P-C4'-P energy: -64.141 tors. eta vs tors. theta energy: 53.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2376.916172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.916172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.916172 (E_RNA) where: Base-Base interactions energy: -1517.253 where: short stacking energy: -749.062 Base-Backbone interact. energy: -1.362 local terms energy: -858.301162 where: bonds (distance) C4'-P energy: -170.567 bonds (distance) P-C4' energy: -178.347 flat angles C4'-P-C4' energy: -193.582 flat angles P-C4'-P energy: -119.982 tors. eta vs tors. theta energy: -195.823 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: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2120.011547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.011547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.011547 (E_RNA) where: Base-Base interactions energy: -1261.767 where: short stacking energy: -676.546 Base-Backbone interact. energy: -3.037 local terms energy: -855.207033 where: bonds (distance) C4'-P energy: -173.780 bonds (distance) P-C4' energy: -187.309 flat angles C4'-P-C4' energy: -198.407 flat angles P-C4'-P energy: -116.158 tors. eta vs tors. theta energy: -179.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1870.812236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.812236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.812236 (E_RNA) where: Base-Base interactions energy: -1092.254 where: short stacking energy: -575.587 Base-Backbone interact. energy: 0.383 local terms energy: -778.941726 where: bonds (distance) C4'-P energy: -165.284 bonds (distance) P-C4' energy: -188.842 flat angles C4'-P-C4' energy: -165.861 flat angles P-C4'-P energy: -113.260 tors. eta vs tors. theta energy: -145.695 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: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1737.750717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.750717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.750717 (E_RNA) where: Base-Base interactions energy: -987.915 where: short stacking energy: -544.861 Base-Backbone interact. energy: -6.767 local terms energy: -743.068513 where: bonds (distance) C4'-P energy: -162.160 bonds (distance) P-C4' energy: -176.046 flat angles C4'-P-C4' energy: -179.223 flat angles P-C4'-P energy: -106.431 tors. eta vs tors. theta energy: -119.209 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: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1653.378989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.378989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.378989 (E_RNA) where: Base-Base interactions energy: -954.053 where: short stacking energy: -527.935 Base-Backbone interact. energy: 6.553 local terms energy: -705.878392 where: bonds (distance) C4'-P energy: -163.446 bonds (distance) P-C4' energy: -158.905 flat angles C4'-P-C4' energy: -172.051 flat angles P-C4'-P energy: -98.683 tors. eta vs tors. theta energy: -112.794 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: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1251.893157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.893157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.893157 (E_RNA) where: Base-Base interactions energy: -628.389 where: short stacking energy: -353.409 Base-Backbone interact. energy: 2.604 local terms energy: -626.108501 where: bonds (distance) C4'-P energy: -143.736 bonds (distance) P-C4' energy: -172.226 flat angles C4'-P-C4' energy: -174.492 flat angles P-C4'-P energy: -98.102 tors. eta vs tors. theta energy: -37.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1390.920160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.920160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.920160 (E_RNA) where: Base-Base interactions energy: -804.194 where: short stacking energy: -413.557 Base-Backbone interact. energy: -2.402 local terms energy: -584.324402 where: bonds (distance) C4'-P energy: -143.859 bonds (distance) P-C4' energy: -156.732 flat angles C4'-P-C4' energy: -145.862 flat angles P-C4'-P energy: -83.907 tors. eta vs tors. theta energy: -53.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1042.431793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.431793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.431793 (E_RNA) where: Base-Base interactions energy: -540.201 where: short stacking energy: -290.991 Base-Backbone interact. energy: -0.346 local terms energy: -501.885605 where: bonds (distance) C4'-P energy: -142.415 bonds (distance) P-C4' energy: -162.404 flat angles C4'-P-C4' energy: -129.056 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -915.656893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.656893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.656893 (E_RNA) where: Base-Base interactions energy: -433.426 where: short stacking energy: -243.338 Base-Backbone interact. energy: 3.540 local terms energy: -485.770874 where: bonds (distance) C4'-P energy: -129.204 bonds (distance) P-C4' energy: -155.463 flat angles C4'-P-C4' energy: -129.763 flat angles P-C4'-P energy: -74.349 tors. eta vs tors. theta energy: 3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -648.045573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.045573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.045573 (E_RNA) where: Base-Base interactions energy: -188.962 where: short stacking energy: -160.160 Base-Backbone interact. energy: -0.815 local terms energy: -458.268605 where: bonds (distance) C4'-P energy: -148.082 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -120.257 flat angles P-C4'-P energy: -64.109 tors. eta vs tors. theta energy: 39.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2423.181801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.181801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.181801 (E_RNA) where: Base-Base interactions energy: -1551.510 where: short stacking energy: -752.404 Base-Backbone interact. energy: 0.513 local terms energy: -872.184792 where: bonds (distance) C4'-P energy: -173.687 bonds (distance) P-C4' energy: -183.983 flat angles C4'-P-C4' energy: -190.821 flat angles P-C4'-P energy: -123.347 tors. eta vs tors. theta energy: -200.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2092.528899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.528899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.528899 (E_RNA) where: Base-Base interactions energy: -1274.587 where: short stacking energy: -666.485 Base-Backbone interact. energy: 1.978 local terms energy: -819.919301 where: bonds (distance) C4'-P energy: -159.975 bonds (distance) P-C4' energy: -196.632 flat angles C4'-P-C4' energy: -181.338 flat angles P-C4'-P energy: -113.729 tors. eta vs tors. theta energy: -168.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1871.869381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.869381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.869381 (E_RNA) where: Base-Base interactions energy: -1107.885 where: short stacking energy: -551.095 Base-Backbone interact. energy: -1.047 local terms energy: -762.937958 where: bonds (distance) C4'-P energy: -165.410 bonds (distance) P-C4' energy: -188.677 flat angles C4'-P-C4' energy: -199.238 flat angles P-C4'-P energy: -100.610 tors. eta vs tors. theta energy: -109.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1755.222039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.222039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.222039 (E_RNA) where: Base-Base interactions energy: -979.806 where: short stacking energy: -554.536 Base-Backbone interact. energy: -3.316 local terms energy: -772.100494 where: bonds (distance) C4'-P energy: -187.872 bonds (distance) P-C4' energy: -177.106 flat angles C4'-P-C4' energy: -175.948 flat angles P-C4'-P energy: -102.983 tors. eta vs tors. theta energy: -128.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1600.967998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.967998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.967998 (E_RNA) where: Base-Base interactions energy: -890.255 where: short stacking energy: -489.734 Base-Backbone interact. energy: 1.173 local terms energy: -711.885891 where: bonds (distance) C4'-P energy: -171.245 bonds (distance) P-C4' energy: -165.964 flat angles C4'-P-C4' energy: -153.199 flat angles P-C4'-P energy: -111.560 tors. eta vs tors. theta energy: -109.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1508.376277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.376277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.376277 (E_RNA) where: Base-Base interactions energy: -869.995 where: short stacking energy: -450.425 Base-Backbone interact. energy: -1.861 local terms energy: -636.520682 where: bonds (distance) C4'-P energy: -158.876 bonds (distance) P-C4' energy: -174.268 flat angles C4'-P-C4' energy: -166.595 flat angles P-C4'-P energy: -82.314 tors. eta vs tors. theta energy: -54.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1213.337939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.337939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.337939 (E_RNA) where: Base-Base interactions energy: -628.390 where: short stacking energy: -344.564 Base-Backbone interact. energy: 2.136 local terms energy: -587.083735 where: bonds (distance) C4'-P energy: -172.558 bonds (distance) P-C4' energy: -155.426 flat angles C4'-P-C4' energy: -139.233 flat angles P-C4'-P energy: -102.674 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1051.381115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.381115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.381115 (E_RNA) where: Base-Base interactions energy: -490.721 where: short stacking energy: -287.292 Base-Backbone interact. energy: -2.141 local terms energy: -558.518802 where: bonds (distance) C4'-P energy: -160.258 bonds (distance) P-C4' energy: -146.229 flat angles C4'-P-C4' energy: -157.354 flat angles P-C4'-P energy: -90.278 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -908.689829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.689829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.689829 (E_RNA) where: Base-Base interactions energy: -428.267 where: short stacking energy: -243.907 Base-Backbone interact. energy: 4.639 local terms energy: -485.062135 where: bonds (distance) C4'-P energy: -148.781 bonds (distance) P-C4' energy: -151.697 flat angles C4'-P-C4' energy: -108.429 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: -7.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -720.973093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.973093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.973093 (E_RNA) where: Base-Base interactions energy: -296.778 where: short stacking energy: -171.067 Base-Backbone interact. energy: 4.970 local terms energy: -429.164573 where: bonds (distance) C4'-P energy: -148.356 bonds (distance) P-C4' energy: -139.180 flat angles C4'-P-C4' energy: -112.964 flat angles P-C4'-P energy: -63.295 tors. eta vs tors. theta energy: 34.631 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: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2379.289446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.289446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.289446 (E_RNA) where: Base-Base interactions energy: -1499.393 where: short stacking energy: -757.908 Base-Backbone interact. energy: -3.890 local terms energy: -876.006266 where: bonds (distance) C4'-P energy: -187.233 bonds (distance) P-C4' energy: -167.428 flat angles C4'-P-C4' energy: -195.095 flat angles P-C4'-P energy: -133.556 tors. eta vs tors. theta energy: -192.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2185.535854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.535854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.535854 (E_RNA) where: Base-Base interactions energy: -1305.461 where: short stacking energy: -676.836 Base-Backbone interact. energy: -5.561 local terms energy: -874.514033 where: bonds (distance) C4'-P energy: -182.313 bonds (distance) P-C4' energy: -191.879 flat angles C4'-P-C4' energy: -194.662 flat angles P-C4'-P energy: -119.405 tors. eta vs tors. theta energy: -186.256 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1933.635913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.635913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.635913 (E_RNA) where: Base-Base interactions energy: -1169.694 where: short stacking energy: -636.533 Base-Backbone interact. energy: 3.859 local terms energy: -767.801686 where: bonds (distance) C4'-P energy: -162.155 bonds (distance) P-C4' energy: -166.716 flat angles C4'-P-C4' energy: -171.706 flat angles P-C4'-P energy: -114.343 tors. eta vs tors. theta energy: -152.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1751.501035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.501035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.501035 (E_RNA) where: Base-Base interactions energy: -1039.092 where: short stacking energy: -523.227 Base-Backbone interact. energy: 4.442 local terms energy: -716.850453 where: bonds (distance) C4'-P energy: -160.697 bonds (distance) P-C4' energy: -169.516 flat angles C4'-P-C4' energy: -184.743 flat angles P-C4'-P energy: -96.489 tors. eta vs tors. theta energy: -105.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1604.106424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.106424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.106424 (E_RNA) where: Base-Base interactions energy: -886.289 where: short stacking energy: -525.878 Base-Backbone interact. energy: -1.227 local terms energy: -716.590351 where: bonds (distance) C4'-P energy: -167.405 bonds (distance) P-C4' energy: -172.013 flat angles C4'-P-C4' energy: -185.828 flat angles P-C4'-P energy: -93.958 tors. eta vs tors. theta energy: -97.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1487.851113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.851113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.851113 (E_RNA) where: Base-Base interactions energy: -858.469 where: short stacking energy: -440.190 Base-Backbone interact. energy: -1.979 local terms energy: -627.403648 where: bonds (distance) C4'-P energy: -156.594 bonds (distance) P-C4' energy: -152.316 flat angles C4'-P-C4' energy: -154.398 flat angles P-C4'-P energy: -98.816 tors. eta vs tors. theta energy: -65.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1273.523603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.523603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.523603 (E_RNA) where: Base-Base interactions energy: -692.733 where: short stacking energy: -376.645 Base-Backbone interact. energy: -2.235 local terms energy: -578.555606 where: bonds (distance) C4'-P energy: -145.147 bonds (distance) P-C4' energy: -155.864 flat angles C4'-P-C4' energy: -157.151 flat angles P-C4'-P energy: -70.774 tors. eta vs tors. theta energy: -49.619 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: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1118.271168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.271168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.271168 (E_RNA) where: Base-Base interactions energy: -590.471 where: short stacking energy: -321.501 Base-Backbone interact. energy: -1.723 local terms energy: -526.077110 where: bonds (distance) C4'-P energy: -145.550 bonds (distance) P-C4' energy: -153.809 flat angles C4'-P-C4' energy: -119.329 flat angles P-C4'-P energy: -84.885 tors. eta vs tors. theta energy: -22.504 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: 24 Temperature: 1.300000 Total energy: -897.547340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.547340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.547340 (E_RNA) where: Base-Base interactions energy: -422.980 where: short stacking energy: -268.215 Base-Backbone interact. energy: 8.827 local terms energy: -483.394894 where: bonds (distance) C4'-P energy: -146.417 bonds (distance) P-C4' energy: -159.258 flat angles C4'-P-C4' energy: -124.470 flat angles P-C4'-P energy: -56.095 tors. eta vs tors. theta energy: 2.845 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: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -703.005669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.005669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.005669 (E_RNA) where: Base-Base interactions energy: -237.175 where: short stacking energy: -183.854 Base-Backbone interact. energy: -2.487 local terms energy: -463.343797 where: bonds (distance) C4'-P energy: -146.240 bonds (distance) P-C4' energy: -157.063 flat angles C4'-P-C4' energy: -115.121 flat angles P-C4'-P energy: -68.437 tors. eta vs tors. theta energy: 23.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2376.963620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.963620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.963620 (E_RNA) where: Base-Base interactions energy: -1499.226 where: short stacking energy: -721.961 Base-Backbone interact. energy: 2.093 local terms energy: -879.830493 where: bonds (distance) C4'-P energy: -180.530 bonds (distance) P-C4' energy: -190.296 flat angles C4'-P-C4' energy: -205.976 flat angles P-C4'-P energy: -128.927 tors. eta vs tors. theta energy: -174.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2227.842860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.842860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.842860 (E_RNA) where: Base-Base interactions energy: -1381.126 where: short stacking energy: -708.314 Base-Backbone interact. energy: -0.776 local terms energy: -845.940810 where: bonds (distance) C4'-P energy: -165.791 bonds (distance) P-C4' energy: -178.335 flat angles C4'-P-C4' energy: -191.832 flat angles P-C4'-P energy: -120.983 tors. eta vs tors. theta energy: -188.999 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: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2010.891250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.891250 (E_RNA) where: Base-Base interactions energy: -1218.636 where: short stacking energy: -597.982 Base-Backbone interact. energy: -1.725 local terms energy: -790.529745 where: bonds (distance) C4'-P energy: -179.795 bonds (distance) P-C4' energy: -170.761 flat angles C4'-P-C4' energy: -181.553 flat angles P-C4'-P energy: -110.523 tors. eta vs tors. theta energy: -147.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1801.217137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.217137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.217137 (E_RNA) where: Base-Base interactions energy: -1061.284 where: short stacking energy: -519.389 Base-Backbone interact. energy: 8.758 local terms energy: -748.691234 where: bonds (distance) C4'-P energy: -173.197 bonds (distance) P-C4' energy: -170.660 flat angles C4'-P-C4' energy: -169.540 flat angles P-C4'-P energy: -123.385 tors. eta vs tors. theta energy: -111.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1509.436346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.436346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.436346 (E_RNA) where: Base-Base interactions energy: -815.213 where: short stacking energy: -454.924 Base-Backbone interact. energy: -1.919 local terms energy: -692.303966 where: bonds (distance) C4'-P energy: -172.590 bonds (distance) P-C4' energy: -167.074 flat angles C4'-P-C4' energy: -162.815 flat angles P-C4'-P energy: -104.602 tors. eta vs tors. theta energy: -85.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1558.210801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.210801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.210801 (E_RNA) where: Base-Base interactions energy: -917.413 where: short stacking energy: -490.622 Base-Backbone interact. energy: 4.130 local terms energy: -644.928206 where: bonds (distance) C4'-P energy: -149.387 bonds (distance) P-C4' energy: -150.006 flat angles C4'-P-C4' energy: -162.456 flat angles P-C4'-P energy: -107.501 tors. eta vs tors. theta energy: -75.579 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: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1222.562704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.562704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.562704 (E_RNA) where: Base-Base interactions energy: -648.347 where: short stacking energy: -353.093 Base-Backbone interact. energy: 0.730 local terms energy: -574.945777 where: bonds (distance) C4'-P energy: -174.970 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -148.908 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -25.657 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: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1195.458611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.458611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.458611 (E_RNA) where: Base-Base interactions energy: -656.041 where: short stacking energy: -317.603 Base-Backbone interact. energy: 3.230 local terms energy: -542.647330 where: bonds (distance) C4'-P energy: -133.567 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -141.486 flat angles P-C4'-P energy: -97.033 tors. eta vs tors. theta energy: -24.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -916.322611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.322611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.322611 (E_RNA) where: Base-Base interactions energy: -408.762 where: short stacking energy: -252.588 Base-Backbone interact. energy: 0.577 local terms energy: -508.137513 where: bonds (distance) C4'-P energy: -149.765 bonds (distance) P-C4' energy: -148.877 flat angles C4'-P-C4' energy: -145.693 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: 19.242 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: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -682.261565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.261565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.261565 (E_RNA) where: Base-Base interactions energy: -217.745 where: short stacking energy: -183.893 Base-Backbone interact. energy: 3.842 local terms energy: -468.359070 where: bonds (distance) C4'-P energy: -161.443 bonds (distance) P-C4' energy: -160.560 flat angles C4'-P-C4' energy: -119.889 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: 47.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2420.010906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.010906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.010906 (E_RNA) where: Base-Base interactions energy: -1528.435 where: short stacking energy: -757.875 Base-Backbone interact. energy: 1.263 local terms energy: -892.839418 where: bonds (distance) C4'-P energy: -179.960 bonds (distance) P-C4' energy: -189.423 flat angles C4'-P-C4' energy: -188.596 flat angles P-C4'-P energy: -133.436 tors. eta vs tors. theta energy: -201.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2291.325721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.325721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.325721 (E_RNA) where: Base-Base interactions energy: -1433.425 where: short stacking energy: -712.905 Base-Backbone interact. energy: -2.933 local terms energy: -854.967095 where: bonds (distance) C4'-P energy: -165.617 bonds (distance) P-C4' energy: -193.314 flat angles C4'-P-C4' energy: -188.014 flat angles P-C4'-P energy: -121.814 tors. eta vs tors. theta energy: -186.210 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: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2018.522382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.522382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.522382 (E_RNA) where: Base-Base interactions energy: -1244.772 where: short stacking energy: -659.963 Base-Backbone interact. energy: 1.400 local terms energy: -775.150429 where: bonds (distance) C4'-P energy: -163.730 bonds (distance) P-C4' energy: -181.497 flat angles C4'-P-C4' energy: -162.853 flat angles P-C4'-P energy: -101.248 tors. eta vs tors. theta energy: -165.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1908.319390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.319390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.319390 (E_RNA) where: Base-Base interactions energy: -1134.709 where: short stacking energy: -589.173 Base-Backbone interact. energy: -2.273 local terms energy: -771.337062 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -176.114 flat angles C4'-P-C4' energy: -186.965 flat angles P-C4'-P energy: -115.062 tors. eta vs tors. theta energy: -138.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1565.039310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.039310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.039310 (E_RNA) where: Base-Base interactions energy: -883.722 where: short stacking energy: -458.503 Base-Backbone interact. energy: 4.192 local terms energy: -685.508400 where: bonds (distance) C4'-P energy: -162.571 bonds (distance) P-C4' energy: -183.629 flat angles C4'-P-C4' energy: -170.235 flat angles P-C4'-P energy: -89.055 tors. eta vs tors. theta energy: -80.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1608.557257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.557257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.557257 (E_RNA) where: Base-Base interactions energy: -945.876 where: short stacking energy: -489.011 Base-Backbone interact. energy: 3.437 local terms energy: -666.118518 where: bonds (distance) C4'-P energy: -139.533 bonds (distance) P-C4' energy: -169.973 flat angles C4'-P-C4' energy: -159.751 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -103.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1325.815913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.815913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.815913 (E_RNA) where: Base-Base interactions energy: -721.132 where: short stacking energy: -373.830 Base-Backbone interact. energy: 2.719 local terms energy: -607.402999 where: bonds (distance) C4'-P energy: -148.526 bonds (distance) P-C4' energy: -160.621 flat angles C4'-P-C4' energy: -155.433 flat angles P-C4'-P energy: -87.832 tors. eta vs tors. theta energy: -54.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1134.170974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.170974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.170974 (E_RNA) where: Base-Base interactions energy: -594.813 where: short stacking energy: -301.755 Base-Backbone interact. energy: -2.905 local terms energy: -536.453435 where: bonds (distance) C4'-P energy: -154.056 bonds (distance) P-C4' energy: -150.307 flat angles C4'-P-C4' energy: -158.572 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -23.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -858.426844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.426844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.426844 (E_RNA) where: Base-Base interactions energy: -377.815 where: short stacking energy: -251.266 Base-Backbone interact. energy: -2.118 local terms energy: -478.493969 where: bonds (distance) C4'-P energy: -134.701 bonds (distance) P-C4' energy: -147.615 flat angles C4'-P-C4' energy: -126.398 flat angles P-C4'-P energy: -71.301 tors. eta vs tors. theta energy: 1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -676.163379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.163379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.163379 (E_RNA) where: Base-Base interactions energy: -227.715 where: short stacking energy: -201.603 Base-Backbone interact. energy: 1.745 local terms energy: -450.193647 where: bonds (distance) C4'-P energy: -142.613 bonds (distance) P-C4' energy: -158.488 flat angles C4'-P-C4' energy: -90.783 flat angles P-C4'-P energy: -80.956 tors. eta vs tors. theta energy: 22.646 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: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2436.533212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.533212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.533212 (E_RNA) where: Base-Base interactions energy: -1550.767 where: short stacking energy: -754.354 Base-Backbone interact. energy: -3.882 local terms energy: -881.884846 where: bonds (distance) C4'-P energy: -184.502 bonds (distance) P-C4' energy: -183.329 flat angles C4'-P-C4' energy: -179.157 flat angles P-C4'-P energy: -138.378 tors. eta vs tors. theta energy: -196.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2310.387449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.387449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.387449 (E_RNA) where: Base-Base interactions energy: -1433.832 where: short stacking energy: -737.156 Base-Backbone interact. energy: -3.378 local terms energy: -873.177661 where: bonds (distance) C4'-P energy: -183.265 bonds (distance) P-C4' energy: -167.274 flat angles C4'-P-C4' energy: -201.573 flat angles P-C4'-P energy: -127.313 tors. eta vs tors. theta energy: -193.752 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: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2024.144374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.144374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.144374 (E_RNA) where: Base-Base interactions energy: -1213.455 where: short stacking energy: -601.889 Base-Backbone interact. energy: -1.970 local terms energy: -808.720176 where: bonds (distance) C4'-P energy: -158.851 bonds (distance) P-C4' energy: -185.422 flat angles C4'-P-C4' energy: -196.571 flat angles P-C4'-P energy: -108.845 tors. eta vs tors. theta energy: -159.031 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: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1892.424051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.424051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.424051 (E_RNA) where: Base-Base interactions energy: -1125.341 where: short stacking energy: -600.972 Base-Backbone interact. energy: 5.209 local terms energy: -772.292127 where: bonds (distance) C4'-P energy: -166.462 bonds (distance) P-C4' energy: -175.799 flat angles C4'-P-C4' energy: -181.095 flat angles P-C4'-P energy: -121.175 tors. eta vs tors. theta energy: -127.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1511.218262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.218262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.218262 (E_RNA) where: Base-Base interactions energy: -822.704 where: short stacking energy: -441.815 Base-Backbone interact. energy: -0.548 local terms energy: -687.967066 where: bonds (distance) C4'-P energy: -166.260 bonds (distance) P-C4' energy: -171.313 flat angles C4'-P-C4' energy: -173.020 flat angles P-C4'-P energy: -101.277 tors. eta vs tors. theta energy: -76.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1564.235781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.235781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.235781 (E_RNA) where: Base-Base interactions energy: -881.267 where: short stacking energy: -504.065 Base-Backbone interact. energy: 2.515 local terms energy: -685.484163 where: bonds (distance) C4'-P energy: -168.517 bonds (distance) P-C4' energy: -161.524 flat angles C4'-P-C4' energy: -158.986 flat angles P-C4'-P energy: -102.342 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: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1401.053271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.053271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.053271 (E_RNA) where: Base-Base interactions energy: -832.369 where: short stacking energy: -397.901 Base-Backbone interact. energy: 3.166 local terms energy: -571.849827 where: bonds (distance) C4'-P energy: -135.338 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -142.409 flat angles P-C4'-P energy: -92.368 tors. eta vs tors. theta energy: -45.371 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: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1156.338824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.338824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.338824 (E_RNA) where: Base-Base interactions energy: -591.954 where: short stacking energy: -294.865 Base-Backbone interact. energy: 4.461 local terms energy: -568.845750 where: bonds (distance) C4'-P energy: -159.273 bonds (distance) P-C4' energy: -166.287 flat angles C4'-P-C4' energy: -123.859 flat angles P-C4'-P energy: -84.468 tors. eta vs tors. theta energy: -34.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -851.872487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.872487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.872487 (E_RNA) where: Base-Base interactions energy: -384.230 where: short stacking energy: -247.305 Base-Backbone interact. energy: -0.419 local terms energy: -467.224269 where: bonds (distance) C4'-P energy: -119.376 bonds (distance) P-C4' energy: -154.188 flat angles C4'-P-C4' energy: -144.317 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: 26.029 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: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -669.195544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.195544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.195544 (E_RNA) where: Base-Base interactions energy: -225.660 where: short stacking energy: -194.353 Base-Backbone interact. energy: 2.147 local terms energy: -445.682826 where: bonds (distance) C4'-P energy: -156.925 bonds (distance) P-C4' energy: -155.612 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -38.631 tors. eta vs tors. theta energy: 30.078 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: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2418.227934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.227934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.227934 (E_RNA) where: Base-Base interactions energy: -1539.052 where: short stacking energy: -735.446 Base-Backbone interact. energy: -2.731 local terms energy: -876.445563 where: bonds (distance) C4'-P energy: -176.115 bonds (distance) P-C4' energy: -182.129 flat angles C4'-P-C4' energy: -186.702 flat angles P-C4'-P energy: -133.319 tors. eta vs tors. theta energy: -198.180 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: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2342.535309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.535309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.535309 (E_RNA) where: Base-Base interactions energy: -1472.759 where: short stacking energy: -744.003 Base-Backbone interact. energy: -0.838 local terms energy: -868.938569 where: bonds (distance) C4'-P energy: -182.797 bonds (distance) P-C4' energy: -162.400 flat angles C4'-P-C4' energy: -192.202 flat angles P-C4'-P energy: -133.014 tors. eta vs tors. theta energy: -198.525 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: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2009.798904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.798904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.798904 (E_RNA) where: Base-Base interactions energy: -1247.569 where: short stacking energy: -622.018 Base-Backbone interact. energy: -3.470 local terms energy: -758.760516 where: bonds (distance) C4'-P energy: -159.100 bonds (distance) P-C4' energy: -176.811 flat angles C4'-P-C4' energy: -170.814 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -153.442 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: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1854.747507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.747507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.747507 (E_RNA) where: Base-Base interactions energy: -1135.002 where: short stacking energy: -552.380 Base-Backbone interact. energy: 5.540 local terms energy: -725.285627 where: bonds (distance) C4'-P energy: -169.547 bonds (distance) P-C4' energy: -157.011 flat angles C4'-P-C4' energy: -180.565 flat angles P-C4'-P energy: -87.265 tors. eta vs tors. theta energy: -130.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1565.690364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.690364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.690364 (E_RNA) where: Base-Base interactions energy: -878.900 where: short stacking energy: -463.388 Base-Backbone interact. energy: -4.648 local terms energy: -682.142976 where: bonds (distance) C4'-P energy: -132.151 bonds (distance) P-C4' energy: -172.849 flat angles C4'-P-C4' energy: -166.518 flat angles P-C4'-P energy: -114.605 tors. eta vs tors. theta energy: -96.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1654.270029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.270029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.270029 (E_RNA) where: Base-Base interactions energy: -954.822 where: short stacking energy: -475.974 Base-Backbone interact. energy: -1.611 local terms energy: -697.837156 where: bonds (distance) C4'-P energy: -158.790 bonds (distance) P-C4' energy: -166.038 flat angles C4'-P-C4' energy: -173.872 flat angles P-C4'-P energy: -99.699 tors. eta vs tors. theta energy: -99.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1498.758629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.758629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.758629 (E_RNA) where: Base-Base interactions energy: -898.771 where: short stacking energy: -419.677 Base-Backbone interact. energy: -2.513 local terms energy: -597.474918 where: bonds (distance) C4'-P energy: -149.482 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -166.547 flat angles P-C4'-P energy: -88.404 tors. eta vs tors. theta energy: -52.894 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: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1061.123288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.123288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.123288 (E_RNA) where: Base-Base interactions energy: -545.550 where: short stacking energy: -295.515 Base-Backbone interact. energy: 1.189 local terms energy: -516.762472 where: bonds (distance) C4'-P energy: -156.568 bonds (distance) P-C4' energy: -161.828 flat angles C4'-P-C4' energy: -134.995 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: -1.346 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: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -796.912735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.912735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.912735 (E_RNA) where: Base-Base interactions energy: -333.116 where: short stacking energy: -256.446 Base-Backbone interact. energy: 8.431 local terms energy: -472.227822 where: bonds (distance) C4'-P energy: -161.750 bonds (distance) P-C4' energy: -165.308 flat angles C4'-P-C4' energy: -126.176 flat angles P-C4'-P energy: -49.738 tors. eta vs tors. theta energy: 30.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -647.053612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.053612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.053612 (E_RNA) where: Base-Base interactions energy: -226.443 where: short stacking energy: -167.011 Base-Backbone interact. energy: 10.010 local terms energy: -430.620337 where: bonds (distance) C4'-P energy: -134.440 bonds (distance) P-C4' energy: -148.527 flat angles C4'-P-C4' energy: -115.724 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: 45.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2443.584996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.584996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.584996 (E_RNA) where: Base-Base interactions energy: -1542.505 where: short stacking energy: -749.854 Base-Backbone interact. energy: -1.550 local terms energy: -899.530114 where: bonds (distance) C4'-P energy: -201.985 bonds (distance) P-C4' energy: -181.062 flat angles C4'-P-C4' energy: -192.874 flat angles P-C4'-P energy: -132.616 tors. eta vs tors. theta energy: -190.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2298.954658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.954658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.954658 (E_RNA) where: Base-Base interactions energy: -1475.056 where: short stacking energy: -695.121 Base-Backbone interact. energy: 2.352 local terms energy: -826.251101 where: bonds (distance) C4'-P energy: -180.648 bonds (distance) P-C4' energy: -185.414 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -114.017 tors. eta vs tors. theta energy: -164.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2027.451855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.451855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.451855 (E_RNA) where: Base-Base interactions energy: -1210.517 where: short stacking energy: -638.245 Base-Backbone interact. energy: 0.025 local terms energy: -816.960733 where: bonds (distance) C4'-P energy: -175.133 bonds (distance) P-C4' energy: -169.599 flat angles C4'-P-C4' energy: -192.562 flat angles P-C4'-P energy: -113.436 tors. eta vs tors. theta energy: -166.231 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: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1922.649580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.649580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.649580 (E_RNA) where: Base-Base interactions energy: -1166.643 where: short stacking energy: -592.635 Base-Backbone interact. energy: 3.693 local terms energy: -759.700013 where: bonds (distance) C4'-P energy: -166.258 bonds (distance) P-C4' energy: -185.834 flat angles C4'-P-C4' energy: -173.316 flat angles P-C4'-P energy: -102.586 tors. eta vs tors. theta energy: -131.706 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: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1537.188030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.188030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.188030 (E_RNA) where: Base-Base interactions energy: -845.121 where: short stacking energy: -482.371 Base-Backbone interact. energy: -1.334 local terms energy: -690.733788 where: bonds (distance) C4'-P energy: -144.540 bonds (distance) P-C4' energy: -176.812 flat angles C4'-P-C4' energy: -172.139 flat angles P-C4'-P energy: -98.555 tors. eta vs tors. theta energy: -98.687 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: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1659.355084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.355084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.355084 (E_RNA) where: Base-Base interactions energy: -954.544 where: short stacking energy: -503.251 Base-Backbone interact. energy: -0.460 local terms energy: -704.351137 where: bonds (distance) C4'-P energy: -148.948 bonds (distance) P-C4' energy: -159.602 flat angles C4'-P-C4' energy: -170.455 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -110.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1474.148144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.148144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.148144 (E_RNA) where: Base-Base interactions energy: -835.926 where: short stacking energy: -399.327 Base-Backbone interact. energy: -3.243 local terms energy: -634.979993 where: bonds (distance) C4'-P energy: -152.091 bonds (distance) P-C4' energy: -173.227 flat angles C4'-P-C4' energy: -166.196 flat angles P-C4'-P energy: -71.200 tors. eta vs tors. theta energy: -72.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1002.034245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.034245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.034245 (E_RNA) where: Base-Base interactions energy: -453.333 where: short stacking energy: -249.337 Base-Backbone interact. energy: -2.092 local terms energy: -546.609341 where: bonds (distance) C4'-P energy: -156.183 bonds (distance) P-C4' energy: -163.241 flat angles C4'-P-C4' energy: -140.030 flat angles P-C4'-P energy: -86.087 tors. eta vs tors. theta energy: -1.068 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: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -832.665420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.665420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.665420 (E_RNA) where: Base-Base interactions energy: -318.618 where: short stacking energy: -249.480 Base-Backbone interact. energy: 8.662 local terms energy: -522.709167 where: bonds (distance) C4'-P energy: -148.965 bonds (distance) P-C4' energy: -161.320 flat angles C4'-P-C4' energy: -144.845 flat angles P-C4'-P energy: -70.085 tors. eta vs tors. theta energy: 2.504 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: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -663.957911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.957911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.957911 (E_RNA) where: Base-Base interactions energy: -199.300 where: short stacking energy: -157.309 Base-Backbone interact. energy: -1.231 local terms energy: -463.427328 where: bonds (distance) C4'-P energy: -153.248 bonds (distance) P-C4' energy: -150.582 flat angles C4'-P-C4' energy: -115.217 flat angles P-C4'-P energy: -99.887 tors. eta vs tors. theta energy: 55.507 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: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2433.886280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.886280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.886280 (E_RNA) where: Base-Base interactions energy: -1533.149 where: short stacking energy: -767.096 Base-Backbone interact. energy: -2.475 local terms energy: -898.262085 where: bonds (distance) C4'-P energy: -181.291 bonds (distance) P-C4' energy: -210.857 flat angles C4'-P-C4' energy: -192.726 flat angles P-C4'-P energy: -111.396 tors. eta vs tors. theta energy: -201.992 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: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2366.372798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.372798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.372798 (E_RNA) where: Base-Base interactions energy: -1490.449 where: short stacking energy: -679.089 Base-Backbone interact. energy: 0.017 local terms energy: -875.939882 where: bonds (distance) C4'-P energy: -169.153 bonds (distance) P-C4' energy: -195.258 flat angles C4'-P-C4' energy: -206.575 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -185.780 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: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2010.167397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.167397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.167397 (E_RNA) where: Base-Base interactions energy: -1234.578 where: short stacking energy: -608.717 Base-Backbone interact. energy: 1.890 local terms energy: -777.480292 where: bonds (distance) C4'-P energy: -169.622 bonds (distance) P-C4' energy: -170.613 flat angles C4'-P-C4' energy: -179.193 flat angles P-C4'-P energy: -126.400 tors. eta vs tors. theta energy: -131.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1902.065481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.065481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.065481 (E_RNA) where: Base-Base interactions energy: -1141.274 where: short stacking energy: -572.849 Base-Backbone interact. energy: -1.153 local terms energy: -759.638302 where: bonds (distance) C4'-P energy: -172.497 bonds (distance) P-C4' energy: -185.055 flat angles C4'-P-C4' energy: -179.482 flat angles P-C4'-P energy: -98.572 tors. eta vs tors. theta energy: -124.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1836.173127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.173127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.173127 (E_RNA) where: Base-Base interactions energy: -1102.956 where: short stacking energy: -548.967 Base-Backbone interact. energy: -3.471 local terms energy: -729.746319 where: bonds (distance) C4'-P energy: -143.503 bonds (distance) P-C4' energy: -178.830 flat angles C4'-P-C4' energy: -165.975 flat angles P-C4'-P energy: -117.820 tors. eta vs tors. theta energy: -123.618 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: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1442.977211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.977211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.977211 (E_RNA) where: Base-Base interactions energy: -758.413 where: short stacking energy: -450.369 Base-Backbone interact. energy: 0.493 local terms energy: -685.057301 where: bonds (distance) C4'-P energy: -150.929 bonds (distance) P-C4' energy: -153.826 flat angles C4'-P-C4' energy: -160.204 flat angles P-C4'-P energy: -116.531 tors. eta vs tors. theta energy: -103.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1474.056671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.056671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.056671 (E_RNA) where: Base-Base interactions energy: -840.742 where: short stacking energy: -420.674 Base-Backbone interact. energy: -0.779 local terms energy: -632.535407 where: bonds (distance) C4'-P energy: -160.561 bonds (distance) P-C4' energy: -157.921 flat angles C4'-P-C4' energy: -149.245 flat angles P-C4'-P energy: -94.784 tors. eta vs tors. theta energy: -70.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -989.493077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.493077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.493077 (E_RNA) where: Base-Base interactions energy: -448.829 where: short stacking energy: -252.223 Base-Backbone interact. energy: 1.098 local terms energy: -541.762853 where: bonds (distance) C4'-P energy: -161.310 bonds (distance) P-C4' energy: -152.287 flat angles C4'-P-C4' energy: -145.863 flat angles P-C4'-P energy: -81.723 tors. eta vs tors. theta energy: -0.579 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -789.279125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.279125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.279125 (E_RNA) where: Base-Base interactions energy: -315.756 where: short stacking energy: -224.267 Base-Backbone interact. energy: 4.822 local terms energy: -478.345882 where: bonds (distance) C4'-P energy: -160.817 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -119.125 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: 18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -689.020756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.020756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.020756 (E_RNA) where: Base-Base interactions energy: -274.548 where: short stacking energy: -222.149 Base-Backbone interact. energy: 1.819 local terms energy: -416.292169 where: bonds (distance) C4'-P energy: -144.978 bonds (distance) P-C4' energy: -122.132 flat angles C4'-P-C4' energy: -125.683 flat angles P-C4'-P energy: -56.034 tors. eta vs tors. theta energy: 32.535 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: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2419.482949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.482949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.482949 (E_RNA) where: Base-Base interactions energy: -1539.993 where: short stacking energy: -726.093 Base-Backbone interact. energy: -3.676 local terms energy: -875.814241 where: bonds (distance) C4'-P energy: -182.981 bonds (distance) P-C4' energy: -185.993 flat angles C4'-P-C4' energy: -206.053 flat angles P-C4'-P energy: -119.928 tors. eta vs tors. theta energy: -180.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2357.827413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.827413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.827413 (E_RNA) where: Base-Base interactions energy: -1473.621 where: short stacking energy: -697.439 Base-Backbone interact. energy: 0.892 local terms energy: -885.098458 where: bonds (distance) C4'-P energy: -184.068 bonds (distance) P-C4' energy: -194.390 flat angles C4'-P-C4' energy: -191.669 flat angles P-C4'-P energy: -114.103 tors. eta vs tors. theta energy: -200.868 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2063.229885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.229885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.229885 (E_RNA) where: Base-Base interactions energy: -1241.941 where: short stacking energy: -629.549 Base-Backbone interact. energy: 3.430 local terms energy: -824.718787 where: bonds (distance) C4'-P energy: -164.633 bonds (distance) P-C4' energy: -192.620 flat angles C4'-P-C4' energy: -197.391 flat angles P-C4'-P energy: -118.261 tors. eta vs tors. theta energy: -151.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1984.775389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.775389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.775389 (E_RNA) where: Base-Base interactions energy: -1238.256 where: short stacking energy: -626.370 Base-Backbone interact. energy: -3.919 local terms energy: -742.599873 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -153.478 flat angles C4'-P-C4' energy: -177.910 flat angles P-C4'-P energy: -108.354 tors. eta vs tors. theta energy: -146.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1822.353621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.353621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.353621 (E_RNA) where: Base-Base interactions energy: -1071.819 where: short stacking energy: -573.827 Base-Backbone interact. energy: -0.947 local terms energy: -749.587911 where: bonds (distance) C4'-P energy: -166.668 bonds (distance) P-C4' energy: -142.933 flat angles C4'-P-C4' energy: -186.949 flat angles P-C4'-P energy: -106.415 tors. eta vs tors. theta energy: -146.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1522.353894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.353894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.353894 (E_RNA) where: Base-Base interactions energy: -877.477 where: short stacking energy: -423.783 Base-Backbone interact. energy: -4.424 local terms energy: -640.453124 where: bonds (distance) C4'-P energy: -149.107 bonds (distance) P-C4' energy: -187.153 flat angles C4'-P-C4' energy: -145.129 flat angles P-C4'-P energy: -100.221 tors. eta vs tors. theta energy: -58.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1299.920744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.920744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.920744 (E_RNA) where: Base-Base interactions energy: -681.348 where: short stacking energy: -388.098 Base-Backbone interact. energy: 0.446 local terms energy: -619.018541 where: bonds (distance) C4'-P energy: -168.778 bonds (distance) P-C4' energy: -159.498 flat angles C4'-P-C4' energy: -140.649 flat angles P-C4'-P energy: -87.509 tors. eta vs tors. theta energy: -62.585 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: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1004.886932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.886932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.886932 (E_RNA) where: Base-Base interactions energy: -474.574 where: short stacking energy: -279.501 Base-Backbone interact. energy: -1.383 local terms energy: -528.929944 where: bonds (distance) C4'-P energy: -144.857 bonds (distance) P-C4' energy: -159.461 flat angles C4'-P-C4' energy: -134.672 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -11.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -846.193916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.193916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.193916 (E_RNA) where: Base-Base interactions energy: -321.150 where: short stacking energy: -225.994 Base-Backbone interact. energy: 5.431 local terms energy: -530.474699 where: bonds (distance) C4'-P energy: -147.580 bonds (distance) P-C4' energy: -168.038 flat angles C4'-P-C4' energy: -127.657 flat angles P-C4'-P energy: -92.108 tors. eta vs tors. theta energy: 4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -709.920216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.920216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.920216 (E_RNA) where: Base-Base interactions energy: -278.584 where: short stacking energy: -195.377 Base-Backbone interact. energy: 4.185 local terms energy: -435.521395 where: bonds (distance) C4'-P energy: -138.296 bonds (distance) P-C4' energy: -141.913 flat angles C4'-P-C4' energy: -106.131 flat angles P-C4'-P energy: -71.800 tors. eta vs tors. theta energy: 22.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2447.659898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.659898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.659898 (E_RNA) where: Base-Base interactions energy: -1560.117 where: short stacking energy: -741.976 Base-Backbone interact. energy: -1.733 local terms energy: -885.810527 where: bonds (distance) C4'-P energy: -181.872 bonds (distance) P-C4' energy: -195.583 flat angles C4'-P-C4' energy: -193.315 flat angles P-C4'-P energy: -114.787 tors. eta vs tors. theta energy: -200.254 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: 32 Temperature: 0.950000 Total energy: -2388.539829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.539829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.539829 (E_RNA) where: Base-Base interactions energy: -1539.162 where: short stacking energy: -710.270 Base-Backbone interact. energy: 3.400 local terms energy: -852.777279 where: bonds (distance) C4'-P energy: -176.784 bonds (distance) P-C4' energy: -179.633 flat angles C4'-P-C4' energy: -179.432 flat angles P-C4'-P energy: -130.700 tors. eta vs tors. theta energy: -186.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2047.665371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.665371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.665371 (E_RNA) where: Base-Base interactions energy: -1254.298 where: short stacking energy: -652.359 Base-Backbone interact. energy: -2.607 local terms energy: -790.760736 where: bonds (distance) C4'-P energy: -173.500 bonds (distance) P-C4' energy: -167.493 flat angles C4'-P-C4' energy: -178.903 flat angles P-C4'-P energy: -120.219 tors. eta vs tors. theta energy: -150.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1939.112140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.112140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.112140 (E_RNA) where: Base-Base interactions energy: -1202.157 where: short stacking energy: -605.451 Base-Backbone interact. energy: -0.891 local terms energy: -736.064302 where: bonds (distance) C4'-P energy: -168.750 bonds (distance) P-C4' energy: -151.260 flat angles C4'-P-C4' energy: -176.480 flat angles P-C4'-P energy: -102.602 tors. eta vs tors. theta energy: -136.973 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: 5, replica: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1828.443797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.443797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.443797 (E_RNA) where: Base-Base interactions energy: -1071.941 where: short stacking energy: -542.103 Base-Backbone interact. energy: -1.875 local terms energy: -754.627719 where: bonds (distance) C4'-P energy: -177.987 bonds (distance) P-C4' energy: -161.359 flat angles C4'-P-C4' energy: -168.612 flat angles P-C4'-P energy: -113.746 tors. eta vs tors. theta energy: -132.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1602.660021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.660021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.660021 (E_RNA) where: Base-Base interactions energy: -936.090 where: short stacking energy: -471.089 Base-Backbone interact. energy: -0.382 local terms energy: -666.188224 where: bonds (distance) C4'-P energy: -161.595 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -157.720 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -88.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1329.923023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.923023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.923023 (E_RNA) where: Base-Base interactions energy: -706.178 where: short stacking energy: -378.710 Base-Backbone interact. energy: 6.994 local terms energy: -630.738916 where: bonds (distance) C4'-P energy: -161.078 bonds (distance) P-C4' energy: -160.921 flat angles C4'-P-C4' energy: -166.196 flat angles P-C4'-P energy: -91.185 tors. eta vs tors. theta energy: -51.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -932.765243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.765243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.765243 (E_RNA) where: Base-Base interactions energy: -426.537 where: short stacking energy: -286.229 Base-Backbone interact. energy: -5.275 local terms energy: -500.952595 where: bonds (distance) C4'-P energy: -143.809 bonds (distance) P-C4' energy: -179.500 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -67.151 tors. eta vs tors. theta energy: 16.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -822.475284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.475284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.475284 (E_RNA) where: Base-Base interactions energy: -315.747 where: short stacking energy: -219.201 Base-Backbone interact. energy: -2.801 local terms energy: -503.926688 where: bonds (distance) C4'-P energy: -150.293 bonds (distance) P-C4' energy: -160.500 flat angles C4'-P-C4' energy: -135.098 flat angles P-C4'-P energy: -69.826 tors. eta vs tors. theta energy: 11.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -730.997610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.997610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.997610 (E_RNA) where: Base-Base interactions energy: -280.325 where: short stacking energy: -195.339 Base-Backbone interact. energy: -3.990 local terms energy: -446.682364 where: bonds (distance) C4'-P energy: -131.369 bonds (distance) P-C4' energy: -120.154 flat angles C4'-P-C4' energy: -140.730 flat angles P-C4'-P energy: -73.574 tors. eta vs tors. theta energy: 19.145 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2434.446087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.446087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.446087 (E_RNA) where: Base-Base interactions energy: -1571.453 where: short stacking energy: -752.359 Base-Backbone interact. energy: 2.267 local terms energy: -865.259535 where: bonds (distance) C4'-P energy: -176.464 bonds (distance) P-C4' energy: -182.908 flat angles C4'-P-C4' energy: -184.684 flat angles P-C4'-P energy: -124.394 tors. eta vs tors. theta energy: -196.809 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: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2345.500301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.500301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.500301 (E_RNA) where: Base-Base interactions energy: -1524.397 where: short stacking energy: -706.331 Base-Backbone interact. energy: -0.213 local terms energy: -820.889830 where: bonds (distance) C4'-P energy: -178.123 bonds (distance) P-C4' energy: -174.972 flat angles C4'-P-C4' energy: -176.086 flat angles P-C4'-P energy: -113.091 tors. eta vs tors. theta energy: -178.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2057.692689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.692689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.692689 (E_RNA) where: Base-Base interactions energy: -1241.551 where: short stacking energy: -650.160 Base-Backbone interact. energy: -1.666 local terms energy: -814.476156 where: bonds (distance) C4'-P energy: -161.990 bonds (distance) P-C4' energy: -176.741 flat angles C4'-P-C4' energy: -179.466 flat angles P-C4'-P energy: -128.155 tors. eta vs tors. theta energy: -168.125 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: 4, replica: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2027.779298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.779298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.779298 (E_RNA) where: Base-Base interactions energy: -1226.756 where: short stacking energy: -633.991 Base-Backbone interact. energy: -0.661 local terms energy: -800.362756 where: bonds (distance) C4'-P energy: -158.177 bonds (distance) P-C4' energy: -161.724 flat angles C4'-P-C4' energy: -197.501 flat angles P-C4'-P energy: -122.597 tors. eta vs tors. theta energy: -160.363 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: 33 Temperature: 1.100000 Total energy: -1800.930677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.930677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.930677 (E_RNA) where: Base-Base interactions energy: -1061.038 where: short stacking energy: -517.951 Base-Backbone interact. energy: -4.633 local terms energy: -735.259753 where: bonds (distance) C4'-P energy: -167.693 bonds (distance) P-C4' energy: -178.847 flat angles C4'-P-C4' energy: -157.573 flat angles P-C4'-P energy: -118.732 tors. eta vs tors. theta energy: -112.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1613.744008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.744008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.744008 (E_RNA) where: Base-Base interactions energy: -948.353 where: short stacking energy: -502.762 Base-Backbone interact. energy: -5.817 local terms energy: -659.573688 where: bonds (distance) C4'-P energy: -152.477 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -156.200 flat angles P-C4'-P energy: -73.725 tors. eta vs tors. theta energy: -108.388 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: 33 Temperature: 1.200000 Total energy: -1292.020633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.020633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.020633 (E_RNA) where: Base-Base interactions energy: -686.466 where: short stacking energy: -373.442 Base-Backbone interact. energy: 0.785 local terms energy: -606.339893 where: bonds (distance) C4'-P energy: -145.823 bonds (distance) P-C4' energy: -162.286 flat angles C4'-P-C4' energy: -148.801 flat angles P-C4'-P energy: -110.478 tors. eta vs tors. theta energy: -38.951 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: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -976.800484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.800484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.800484 (E_RNA) where: Base-Base interactions energy: -457.263 where: short stacking energy: -319.743 Base-Backbone interact. energy: 4.449 local terms energy: -523.986274 where: bonds (distance) C4'-P energy: -143.973 bonds (distance) P-C4' energy: -154.311 flat angles C4'-P-C4' energy: -142.608 flat angles P-C4'-P energy: -64.359 tors. eta vs tors. theta energy: -18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -836.686312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.686312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.686312 (E_RNA) where: Base-Base interactions energy: -343.934 where: short stacking energy: -246.423 Base-Backbone interact. energy: -2.778 local terms energy: -489.974380 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -156.389 flat angles C4'-P-C4' energy: -108.958 flat angles P-C4'-P energy: -66.793 tors. eta vs tors. theta energy: -8.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -746.673501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.673501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.673501 (E_RNA) where: Base-Base interactions energy: -309.313 where: short stacking energy: -209.339 Base-Backbone interact. energy: 7.891 local terms energy: -445.251867 where: bonds (distance) C4'-P energy: -133.690 bonds (distance) P-C4' energy: -154.340 flat angles C4'-P-C4' energy: -123.237 flat angles P-C4'-P energy: -85.487 tors. eta vs tors. theta energy: 51.502 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: 34 Temperature: 0.900000 Total energy: -2458.197598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.197598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.197598 (E_RNA) where: Base-Base interactions energy: -1570.046 where: short stacking energy: -774.706 Base-Backbone interact. energy: -1.805 local terms energy: -886.346556 where: bonds (distance) C4'-P energy: -186.635 bonds (distance) P-C4' energy: -173.964 flat angles C4'-P-C4' energy: -200.666 flat angles P-C4'-P energy: -116.758 tors. eta vs tors. theta energy: -208.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2411.531958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.531958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.531958 (E_RNA) where: Base-Base interactions energy: -1562.825 where: short stacking energy: -745.183 Base-Backbone interact. energy: -1.988 local terms energy: -846.718458 where: bonds (distance) C4'-P energy: -165.828 bonds (distance) P-C4' energy: -173.527 flat angles C4'-P-C4' energy: -187.352 flat angles P-C4'-P energy: -123.767 tors. eta vs tors. theta energy: -196.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2058.611095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.611095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.611095 (E_RNA) where: Base-Base interactions energy: -1260.405 where: short stacking energy: -647.147 Base-Backbone interact. energy: -5.058 local terms energy: -793.148800 where: bonds (distance) C4'-P energy: -162.964 bonds (distance) P-C4' energy: -190.469 flat angles C4'-P-C4' energy: -179.978 flat angles P-C4'-P energy: -111.011 tors. eta vs tors. theta energy: -148.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1948.673412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.673412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.673412 (E_RNA) where: Base-Base interactions energy: -1155.509 where: short stacking energy: -571.786 Base-Backbone interact. energy: 0.310 local terms energy: -793.474567 where: bonds (distance) C4'-P energy: -182.706 bonds (distance) P-C4' energy: -183.414 flat angles C4'-P-C4' energy: -197.259 flat angles P-C4'-P energy: -103.593 tors. eta vs tors. theta energy: -126.501 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: 10 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1873.768825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.768825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.768825 (E_RNA) where: Base-Base interactions energy: -1108.164 where: short stacking energy: -574.504 Base-Backbone interact. energy: -3.879 local terms energy: -761.725564 where: bonds (distance) C4'-P energy: -166.911 bonds (distance) P-C4' energy: -169.091 flat angles C4'-P-C4' energy: -176.317 flat angles P-C4'-P energy: -113.689 tors. eta vs tors. theta energy: -135.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1503.267456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.267456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.267456 (E_RNA) where: Base-Base interactions energy: -833.310 where: short stacking energy: -427.834 Base-Backbone interact. energy: -1.276 local terms energy: -668.680785 where: bonds (distance) C4'-P energy: -149.734 bonds (distance) P-C4' energy: -161.964 flat angles C4'-P-C4' energy: -158.931 flat angles P-C4'-P energy: -105.813 tors. eta vs tors. theta energy: -92.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1274.970426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.970426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.970426 (E_RNA) where: Base-Base interactions energy: -716.835 where: short stacking energy: -367.570 Base-Backbone interact. energy: -2.012 local terms energy: -556.123158 where: bonds (distance) C4'-P energy: -156.297 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -149.144 flat angles P-C4'-P energy: -70.410 tors. eta vs tors. theta energy: -30.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -928.900745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.900745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.900745 (E_RNA) where: Base-Base interactions energy: -426.363 where: short stacking energy: -258.464 Base-Backbone interact. energy: -0.220 local terms energy: -502.317594 where: bonds (distance) C4'-P energy: -153.139 bonds (distance) P-C4' energy: -162.353 flat angles C4'-P-C4' energy: -131.932 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: 21.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -866.476495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.476495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.476495 (E_RNA) where: Base-Base interactions energy: -380.832 where: short stacking energy: -223.659 Base-Backbone interact. energy: 2.145 local terms energy: -487.789309 where: bonds (distance) C4'-P energy: -157.048 bonds (distance) P-C4' energy: -138.033 flat angles C4'-P-C4' energy: -136.779 flat angles P-C4'-P energy: -79.924 tors. eta vs tors. theta energy: 23.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -757.649895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.649895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.649895 (E_RNA) where: Base-Base interactions energy: -354.617 where: short stacking energy: -233.973 Base-Backbone interact. energy: 0.019 local terms energy: -403.051208 where: bonds (distance) C4'-P energy: -119.312 bonds (distance) P-C4' energy: -138.484 flat angles C4'-P-C4' energy: -134.911 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: 27.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2516.863340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.863340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.863340 (E_RNA) where: Base-Base interactions energy: -1616.553 where: short stacking energy: -783.645 Base-Backbone interact. energy: 4.259 local terms energy: -904.569981 where: bonds (distance) C4'-P energy: -188.718 bonds (distance) P-C4' energy: -192.064 flat angles C4'-P-C4' energy: -196.505 flat angles P-C4'-P energy: -114.208 tors. eta vs tors. theta energy: -213.075 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: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2392.430657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.430657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.430657 (E_RNA) where: Base-Base interactions energy: -1532.542 where: short stacking energy: -705.514 Base-Backbone interact. energy: -1.557 local terms energy: -858.331298 where: bonds (distance) C4'-P energy: -168.920 bonds (distance) P-C4' energy: -180.784 flat angles C4'-P-C4' energy: -206.352 flat angles P-C4'-P energy: -115.186 tors. eta vs tors. theta energy: -187.090 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: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1979.367676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.367676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.367676 (E_RNA) where: Base-Base interactions energy: -1193.067 where: short stacking energy: -597.406 Base-Backbone interact. energy: -0.623 local terms energy: -785.677640 where: bonds (distance) C4'-P energy: -179.700 bonds (distance) P-C4' energy: -188.059 flat angles C4'-P-C4' energy: -183.065 flat angles P-C4'-P energy: -100.738 tors. eta vs tors. theta energy: -134.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1965.145732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.145732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.145732 (E_RNA) where: Base-Base interactions energy: -1185.440 where: short stacking energy: -571.584 Base-Backbone interact. energy: 0.011 local terms energy: -779.716855 where: bonds (distance) C4'-P energy: -170.553 bonds (distance) P-C4' energy: -187.843 flat angles C4'-P-C4' energy: -182.475 flat angles P-C4'-P energy: -111.339 tors. eta vs tors. theta energy: -127.507 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: 5, replica: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1851.898054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.898054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.898054 (E_RNA) where: Base-Base interactions energy: -1104.845 where: short stacking energy: -563.638 Base-Backbone interact. energy: -2.151 local terms energy: -744.902022 where: bonds (distance) C4'-P energy: -159.749 bonds (distance) P-C4' energy: -170.194 flat angles C4'-P-C4' energy: -172.464 flat angles P-C4'-P energy: -98.270 tors. eta vs tors. theta energy: -144.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1712.474257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.474257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.474257 (E_RNA) where: Base-Base interactions energy: -1013.314 where: short stacking energy: -539.818 Base-Backbone interact. energy: -4.350 local terms energy: -694.810065 where: bonds (distance) C4'-P energy: -159.426 bonds (distance) P-C4' energy: -154.453 flat angles C4'-P-C4' energy: -164.287 flat angles P-C4'-P energy: -99.129 tors. eta vs tors. theta energy: -117.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1176.832425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.832425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.832425 (E_RNA) where: Base-Base interactions energy: -621.381 where: short stacking energy: -339.146 Base-Backbone interact. energy: -1.275 local terms energy: -554.176441 where: bonds (distance) C4'-P energy: -133.830 bonds (distance) P-C4' energy: -174.475 flat angles C4'-P-C4' energy: -137.747 flat angles P-C4'-P energy: -67.927 tors. eta vs tors. theta energy: -40.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -992.647758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.647758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.647758 (E_RNA) where: Base-Base interactions energy: -487.840 where: short stacking energy: -296.585 Base-Backbone interact. energy: 4.633 local terms energy: -509.440390 where: bonds (distance) C4'-P energy: -149.680 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -140.160 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: 1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -852.625653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.625653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.625653 (E_RNA) where: Base-Base interactions energy: -385.559 where: short stacking energy: -229.340 Base-Backbone interact. energy: 2.311 local terms energy: -469.377295 where: bonds (distance) C4'-P energy: -138.206 bonds (distance) P-C4' energy: -157.676 flat angles C4'-P-C4' energy: -136.423 flat angles P-C4'-P energy: -70.649 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -791.583044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.583044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.583044 (E_RNA) where: Base-Base interactions energy: -308.372 where: short stacking energy: -193.507 Base-Backbone interact. energy: -3.499 local terms energy: -479.712074 where: bonds (distance) C4'-P energy: -148.932 bonds (distance) P-C4' energy: -152.044 flat angles C4'-P-C4' energy: -112.105 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: 19.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2461.813083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.813083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.813083 (E_RNA) where: Base-Base interactions energy: -1557.956 where: short stacking energy: -752.117 Base-Backbone interact. energy: 4.624 local terms energy: -908.480957 where: bonds (distance) C4'-P energy: -179.318 bonds (distance) P-C4' energy: -189.443 flat angles C4'-P-C4' energy: -197.174 flat angles P-C4'-P energy: -127.134 tors. eta vs tors. theta energy: -215.412 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: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2412.538175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.538175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.538175 (E_RNA) where: Base-Base interactions energy: -1528.502 where: short stacking energy: -755.326 Base-Backbone interact. energy: -4.279 local terms energy: -879.757362 where: bonds (distance) C4'-P energy: -168.834 bonds (distance) P-C4' energy: -185.368 flat angles C4'-P-C4' energy: -198.223 flat angles P-C4'-P energy: -125.095 tors. eta vs tors. theta energy: -202.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2083.000807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.000807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.000807 (E_RNA) where: Base-Base interactions energy: -1265.895 where: short stacking energy: -644.321 Base-Backbone interact. energy: -2.202 local terms energy: -814.903864 where: bonds (distance) C4'-P energy: -147.971 bonds (distance) P-C4' energy: -177.413 flat angles C4'-P-C4' energy: -195.515 flat angles P-C4'-P energy: -126.195 tors. eta vs tors. theta energy: -167.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1955.207427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.207427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.207427 (E_RNA) where: Base-Base interactions energy: -1202.991 where: short stacking energy: -583.191 Base-Backbone interact. energy: -4.774 local terms energy: -747.442652 where: bonds (distance) C4'-P energy: -167.032 bonds (distance) P-C4' energy: -181.350 flat angles C4'-P-C4' energy: -176.222 flat angles P-C4'-P energy: -102.946 tors. eta vs tors. theta energy: -119.893 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: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1900.251263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.251263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.251263 (E_RNA) where: Base-Base interactions energy: -1147.480 where: short stacking energy: -574.197 Base-Backbone interact. energy: 0.848 local terms energy: -753.619429 where: bonds (distance) C4'-P energy: -162.028 bonds (distance) P-C4' energy: -166.835 flat angles C4'-P-C4' energy: -172.076 flat angles P-C4'-P energy: -123.289 tors. eta vs tors. theta energy: -129.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1692.964240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.964240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.964240 (E_RNA) where: Base-Base interactions energy: -1005.946 where: short stacking energy: -513.687 Base-Backbone interact. energy: -0.751 local terms energy: -686.267277 where: bonds (distance) C4'-P energy: -152.934 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -154.740 flat angles P-C4'-P energy: -108.411 tors. eta vs tors. theta energy: -108.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1257.210078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.210078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.210078 (E_RNA) where: Base-Base interactions energy: -637.572 where: short stacking energy: -364.330 Base-Backbone interact. energy: -2.958 local terms energy: -616.680571 where: bonds (distance) C4'-P energy: -149.936 bonds (distance) P-C4' energy: -173.284 flat angles C4'-P-C4' energy: -157.844 flat angles P-C4'-P energy: -76.573 tors. eta vs tors. theta energy: -59.044 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: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1048.091689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.091689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.091689 (E_RNA) where: Base-Base interactions energy: -570.505 where: short stacking energy: -309.055 Base-Backbone interact. energy: 5.231 local terms energy: -482.818583 where: bonds (distance) C4'-P energy: -141.922 bonds (distance) P-C4' energy: -128.090 flat angles C4'-P-C4' energy: -133.418 flat angles P-C4'-P energy: -69.711 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -789.642502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.642502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.642502 (E_RNA) where: Base-Base interactions energy: -272.431 where: short stacking energy: -198.144 Base-Backbone interact. energy: 4.497 local terms energy: -521.708948 where: bonds (distance) C4'-P energy: -158.919 bonds (distance) P-C4' energy: -156.906 flat angles C4'-P-C4' energy: -128.292 flat angles P-C4'-P energy: -87.579 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: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -732.104149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.104149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.104149 (E_RNA) where: Base-Base interactions energy: -301.373 where: short stacking energy: -205.483 Base-Backbone interact. energy: -0.467 local terms energy: -430.264292 where: bonds (distance) C4'-P energy: -121.227 bonds (distance) P-C4' energy: -143.605 flat angles C4'-P-C4' energy: -123.720 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: 39.090 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: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2403.345256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.345256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.345256 (E_RNA) where: Base-Base interactions energy: -1526.620 where: short stacking energy: -733.307 Base-Backbone interact. energy: -6.048 local terms energy: -870.676896 where: bonds (distance) C4'-P energy: -182.436 bonds (distance) P-C4' energy: -179.103 flat angles C4'-P-C4' energy: -198.033 flat angles P-C4'-P energy: -114.838 tors. eta vs tors. theta energy: -196.267 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: 37 Temperature: 0.950000 Total energy: -2320.704793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.704793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.704793 (E_RNA) where: Base-Base interactions energy: -1481.049 where: short stacking energy: -712.476 Base-Backbone interact. energy: -0.528 local terms energy: -839.127871 where: bonds (distance) C4'-P energy: -182.682 bonds (distance) P-C4' energy: -182.231 flat angles C4'-P-C4' energy: -186.637 flat angles P-C4'-P energy: -111.601 tors. eta vs tors. theta energy: -175.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2136.025866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.025866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.025866 (E_RNA) where: Base-Base interactions energy: -1308.628 where: short stacking energy: -670.235 Base-Backbone interact. energy: -2.064 local terms energy: -825.334003 where: bonds (distance) C4'-P energy: -182.390 bonds (distance) P-C4' energy: -172.250 flat angles C4'-P-C4' energy: -195.923 flat angles P-C4'-P energy: -105.649 tors. eta vs tors. theta energy: -169.122 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: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1928.653791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.653791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.653791 (E_RNA) where: Base-Base interactions energy: -1200.645 where: short stacking energy: -587.771 Base-Backbone interact. energy: 0.146 local terms energy: -728.155232 where: bonds (distance) C4'-P energy: -169.928 bonds (distance) P-C4' energy: -159.323 flat angles C4'-P-C4' energy: -178.799 flat angles P-C4'-P energy: -84.392 tors. eta vs tors. theta energy: -135.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1788.805122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.805122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.805122 (E_RNA) where: Base-Base interactions energy: -1061.938 where: short stacking energy: -529.358 Base-Backbone interact. energy: 0.944 local terms energy: -727.811961 where: bonds (distance) C4'-P energy: -162.119 bonds (distance) P-C4' energy: -168.505 flat angles C4'-P-C4' energy: -170.584 flat angles P-C4'-P energy: -101.604 tors. eta vs tors. theta energy: -125.000 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: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1688.858513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.858513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.858513 (E_RNA) where: Base-Base interactions energy: -990.339 where: short stacking energy: -525.093 Base-Backbone interact. energy: 2.000 local terms energy: -700.519789 where: bonds (distance) C4'-P energy: -147.520 bonds (distance) P-C4' energy: -154.329 flat angles C4'-P-C4' energy: -181.489 flat angles P-C4'-P energy: -105.176 tors. eta vs tors. theta energy: -112.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1217.679079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.679079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.679079 (E_RNA) where: Base-Base interactions energy: -615.458 where: short stacking energy: -326.638 Base-Backbone interact. energy: 1.828 local terms energy: -604.048621 where: bonds (distance) C4'-P energy: -146.686 bonds (distance) P-C4' energy: -180.922 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -94.536 tors. eta vs tors. theta energy: -43.069 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: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -937.094763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.094763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.094763 (E_RNA) where: Base-Base interactions energy: -418.463 where: short stacking energy: -278.120 Base-Backbone interact. energy: -0.737 local terms energy: -517.894717 where: bonds (distance) C4'-P energy: -139.827 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -155.549 flat angles P-C4'-P energy: -69.914 tors. eta vs tors. theta energy: 9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -806.457568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.457568 (E_RNA) where: Base-Base interactions energy: -309.114 where: short stacking energy: -230.447 Base-Backbone interact. energy: -3.660 local terms energy: -493.683717 where: bonds (distance) C4'-P energy: -147.945 bonds (distance) P-C4' energy: -170.959 flat angles C4'-P-C4' energy: -105.569 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: 12.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -710.623436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.623436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.623436 (E_RNA) where: Base-Base interactions energy: -272.497 where: short stacking energy: -210.530 Base-Backbone interact. energy: -3.399 local terms energy: -434.728036 where: bonds (distance) C4'-P energy: -138.612 bonds (distance) P-C4' energy: -139.927 flat angles C4'-P-C4' energy: -122.573 flat angles P-C4'-P energy: -73.112 tors. eta vs tors. theta energy: 39.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2495.581636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.581636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.581636 (E_RNA) where: Base-Base interactions energy: -1606.983 where: short stacking energy: -736.644 Base-Backbone interact. energy: -3.995 local terms energy: -884.603216 where: bonds (distance) C4'-P energy: -180.737 bonds (distance) P-C4' energy: -179.470 flat angles C4'-P-C4' energy: -201.750 flat angles P-C4'-P energy: -119.304 tors. eta vs tors. theta energy: -203.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2388.905581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.905581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.905581 (E_RNA) where: Base-Base interactions energy: -1505.661 where: short stacking energy: -719.611 Base-Backbone interact. energy: -2.522 local terms energy: -880.722799 where: bonds (distance) C4'-P energy: -178.738 bonds (distance) P-C4' energy: -174.736 flat angles C4'-P-C4' energy: -192.489 flat angles P-C4'-P energy: -141.876 tors. eta vs tors. theta energy: -192.884 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: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2089.216390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.216390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.216390 (E_RNA) where: Base-Base interactions energy: -1273.790 where: short stacking energy: -679.008 Base-Backbone interact. energy: -0.772 local terms energy: -814.653895 where: bonds (distance) C4'-P energy: -162.309 bonds (distance) P-C4' energy: -178.572 flat angles C4'-P-C4' energy: -181.310 flat angles P-C4'-P energy: -113.940 tors. eta vs tors. theta energy: -178.522 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: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1990.133639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.133639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.133639 (E_RNA) where: Base-Base interactions energy: -1250.552 where: short stacking energy: -630.139 Base-Backbone interact. energy: -1.533 local terms energy: -738.049497 where: bonds (distance) C4'-P energy: -174.370 bonds (distance) P-C4' energy: -160.776 flat angles C4'-P-C4' energy: -161.033 flat angles P-C4'-P energy: -112.416 tors. eta vs tors. theta energy: -129.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1719.328150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.328150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.328150 (E_RNA) where: Base-Base interactions energy: -984.442 where: short stacking energy: -509.065 Base-Backbone interact. energy: 4.137 local terms energy: -739.023290 where: bonds (distance) C4'-P energy: -171.703 bonds (distance) P-C4' energy: -156.428 flat angles C4'-P-C4' energy: -182.206 flat angles P-C4'-P energy: -119.535 tors. eta vs tors. theta energy: -109.151 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: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1626.385573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.385573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.385573 (E_RNA) where: Base-Base interactions energy: -948.606 where: short stacking energy: -437.665 Base-Backbone interact. energy: 1.905 local terms energy: -679.683709 where: bonds (distance) C4'-P energy: -165.992 bonds (distance) P-C4' energy: -150.013 flat angles C4'-P-C4' energy: -168.069 flat angles P-C4'-P energy: -105.417 tors. eta vs tors. theta energy: -90.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1226.829466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.829466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.829466 (E_RNA) where: Base-Base interactions energy: -651.259 where: short stacking energy: -385.343 Base-Backbone interact. energy: -2.371 local terms energy: -573.200278 where: bonds (distance) C4'-P energy: -137.254 bonds (distance) P-C4' energy: -154.411 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -94.132 tors. eta vs tors. theta energy: -40.561 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: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1024.328502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.328502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.328502 (E_RNA) where: Base-Base interactions energy: -505.489 where: short stacking energy: -276.383 Base-Backbone interact. energy: -1.791 local terms energy: -517.049052 where: bonds (distance) C4'-P energy: -129.408 bonds (distance) P-C4' energy: -172.813 flat angles C4'-P-C4' energy: -121.306 flat angles P-C4'-P energy: -79.695 tors. eta vs tors. theta energy: -13.827 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -781.453147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.453147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.453147 (E_RNA) where: Base-Base interactions energy: -290.158 where: short stacking energy: -210.637 Base-Backbone interact. energy: 2.788 local terms energy: -494.083593 where: bonds (distance) C4'-P energy: -146.797 bonds (distance) P-C4' energy: -156.263 flat angles C4'-P-C4' energy: -113.221 flat angles P-C4'-P energy: -96.990 tors. eta vs tors. theta energy: 19.188 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: 38 Temperature: 1.350000 Total energy: -760.485376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.485376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.485376 (E_RNA) where: Base-Base interactions energy: -299.884 where: short stacking energy: -197.753 Base-Backbone interact. energy: 6.140 local terms energy: -466.741691 where: bonds (distance) C4'-P energy: -140.868 bonds (distance) P-C4' energy: -160.191 flat angles C4'-P-C4' energy: -114.326 flat angles P-C4'-P energy: -65.562 tors. eta vs tors. theta energy: 14.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2492.993064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.993064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.993064 (E_RNA) where: Base-Base interactions energy: -1600.671 where: short stacking energy: -772.088 Base-Backbone interact. energy: 1.804 local terms energy: -894.125757 where: bonds (distance) C4'-P energy: -183.412 bonds (distance) P-C4' energy: -187.193 flat angles C4'-P-C4' energy: -190.029 flat angles P-C4'-P energy: -128.846 tors. eta vs tors. theta energy: -204.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2391.754577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.754577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.754577 (E_RNA) where: Base-Base interactions energy: -1517.991 where: short stacking energy: -726.350 Base-Backbone interact. energy: 3.464 local terms energy: -877.227031 where: bonds (distance) C4'-P energy: -180.080 bonds (distance) P-C4' energy: -173.097 flat angles C4'-P-C4' energy: -202.192 flat angles P-C4'-P energy: -128.572 tors. eta vs tors. theta energy: -193.286 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: 3, replica: 10 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2094.160523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.160523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.160523 (E_RNA) where: Base-Base interactions energy: -1325.273 where: short stacking energy: -648.754 Base-Backbone interact. energy: -1.218 local terms energy: -767.669790 where: bonds (distance) C4'-P energy: -160.554 bonds (distance) P-C4' energy: -184.668 flat angles C4'-P-C4' energy: -178.369 flat angles P-C4'-P energy: -109.041 tors. eta vs tors. theta energy: -135.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1954.414237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.414237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.414237 (E_RNA) where: Base-Base interactions energy: -1222.725 where: short stacking energy: -572.197 Base-Backbone interact. energy: 0.333 local terms energy: -732.022051 where: bonds (distance) C4'-P energy: -168.347 bonds (distance) P-C4' energy: -186.167 flat angles C4'-P-C4' energy: -170.178 flat angles P-C4'-P energy: -93.958 tors. eta vs tors. theta energy: -113.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1734.175565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.175565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.175565 (E_RNA) where: Base-Base interactions energy: -1039.069 where: short stacking energy: -562.916 Base-Backbone interact. energy: -1.985 local terms energy: -693.121381 where: bonds (distance) C4'-P energy: -144.701 bonds (distance) P-C4' energy: -157.716 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -86.815 tors. eta vs tors. theta energy: -133.666 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: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1669.776408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.776408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.776408 (E_RNA) where: Base-Base interactions energy: -969.844 where: short stacking energy: -458.302 Base-Backbone interact. energy: -4.581 local terms energy: -695.350884 where: bonds (distance) C4'-P energy: -163.578 bonds (distance) P-C4' energy: -176.649 flat angles C4'-P-C4' energy: -164.535 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -96.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1243.672901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.672901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.672901 (E_RNA) where: Base-Base interactions energy: -631.129 where: short stacking energy: -375.465 Base-Backbone interact. energy: 3.118 local terms energy: -615.661469 where: bonds (distance) C4'-P energy: -155.579 bonds (distance) P-C4' energy: -161.509 flat angles C4'-P-C4' energy: -140.823 flat angles P-C4'-P energy: -93.129 tors. eta vs tors. theta energy: -64.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1070.179625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.179625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.179625 (E_RNA) where: Base-Base interactions energy: -506.499 where: short stacking energy: -287.705 Base-Backbone interact. energy: -0.524 local terms energy: -563.156782 where: bonds (distance) C4'-P energy: -146.018 bonds (distance) P-C4' energy: -178.391 flat angles C4'-P-C4' energy: -139.517 flat angles P-C4'-P energy: -78.544 tors. eta vs tors. theta energy: -20.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -799.600714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.600714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.600714 (E_RNA) where: Base-Base interactions energy: -321.183 where: short stacking energy: -236.699 Base-Backbone interact. energy: 4.014 local terms energy: -482.430861 where: bonds (distance) C4'-P energy: -154.210 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -139.167 flat angles P-C4'-P energy: -68.969 tors. eta vs tors. theta energy: 30.078 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: 39 Temperature: 1.350000 Total energy: -762.417939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.417939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.417939 (E_RNA) where: Base-Base interactions energy: -293.029 where: short stacking energy: -189.827 Base-Backbone interact. energy: 0.099 local terms energy: -469.488205 where: bonds (distance) C4'-P energy: -147.654 bonds (distance) P-C4' energy: -149.163 flat angles C4'-P-C4' energy: -119.335 flat angles P-C4'-P energy: -88.812 tors. eta vs tors. theta energy: 35.475 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: 40 Temperature: 0.900000 Total energy: -2450.571567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.571567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.571567 (E_RNA) where: Base-Base interactions energy: -1554.805 where: short stacking energy: -722.170 Base-Backbone interact. energy: 0.081 local terms energy: -895.847438 where: bonds (distance) C4'-P energy: -191.684 bonds (distance) P-C4' energy: -185.717 flat angles C4'-P-C4' energy: -198.733 flat angles P-C4'-P energy: -120.593 tors. eta vs tors. theta energy: -199.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2348.346798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.346798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.346798 (E_RNA) where: Base-Base interactions energy: -1494.018 where: short stacking energy: -710.702 Base-Backbone interact. energy: 1.754 local terms energy: -856.082958 where: bonds (distance) C4'-P energy: -175.468 bonds (distance) P-C4' energy: -174.602 flat angles C4'-P-C4' energy: -188.342 flat angles P-C4'-P energy: -116.155 tors. eta vs tors. theta energy: -201.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2169.635096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.635096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.635096 (E_RNA) where: Base-Base interactions energy: -1352.947 where: short stacking energy: -648.320 Base-Backbone interact. energy: -1.741 local terms energy: -814.946675 where: bonds (distance) C4'-P energy: -165.450 bonds (distance) P-C4' energy: -170.549 flat angles C4'-P-C4' energy: -183.489 flat angles P-C4'-P energy: -121.929 tors. eta vs tors. theta energy: -173.530 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: 4, replica: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2010.608761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.608761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.608761 (E_RNA) where: Base-Base interactions energy: -1265.429 where: short stacking energy: -576.571 Base-Backbone interact. energy: 1.336 local terms energy: -746.516196 where: bonds (distance) C4'-P energy: -160.734 bonds (distance) P-C4' energy: -167.821 flat angles C4'-P-C4' energy: -188.827 flat angles P-C4'-P energy: -114.571 tors. eta vs tors. theta energy: -114.564 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: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1887.964927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.964927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.964927 (E_RNA) where: Base-Base interactions energy: -1186.002 where: short stacking energy: -548.883 Base-Backbone interact. energy: -5.404 local terms energy: -696.557964 where: bonds (distance) C4'-P energy: -164.462 bonds (distance) P-C4' energy: -159.888 flat angles C4'-P-C4' energy: -159.309 flat angles P-C4'-P energy: -86.034 tors. eta vs tors. theta energy: -126.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1633.541931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.541931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.541931 (E_RNA) where: Base-Base interactions energy: -958.576 where: short stacking energy: -519.720 Base-Backbone interact. energy: -2.003 local terms energy: -672.962832 where: bonds (distance) C4'-P energy: -160.801 bonds (distance) P-C4' energy: -156.135 flat angles C4'-P-C4' energy: -155.220 flat angles P-C4'-P energy: -104.326 tors. eta vs tors. theta energy: -96.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1189.482528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.482528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.482528 (E_RNA) where: Base-Base interactions energy: -595.140 where: short stacking energy: -334.121 Base-Backbone interact. energy: -1.125 local terms energy: -593.218264 where: bonds (distance) C4'-P energy: -153.983 bonds (distance) P-C4' energy: -150.314 flat angles C4'-P-C4' energy: -150.951 flat angles P-C4'-P energy: -86.910 tors. eta vs tors. theta energy: -51.060 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: 8, replica: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1036.723959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.723959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.723959 (E_RNA) where: Base-Base interactions energy: -501.730 where: short stacking energy: -316.068 Base-Backbone interact. energy: 4.729 local terms energy: -539.723315 where: bonds (distance) C4'-P energy: -158.033 bonds (distance) P-C4' energy: -160.403 flat angles C4'-P-C4' energy: -136.249 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: 0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -867.606811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.606811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.606811 (E_RNA) where: Base-Base interactions energy: -407.087 where: short stacking energy: -232.287 Base-Backbone interact. energy: 5.948 local terms energy: -466.468470 where: bonds (distance) C4'-P energy: -147.608 bonds (distance) P-C4' energy: -151.865 flat angles C4'-P-C4' energy: -108.732 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: 5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -757.400851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.400851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.400851 (E_RNA) where: Base-Base interactions energy: -342.371 where: short stacking energy: -208.532 Base-Backbone interact. energy: 6.772 local terms energy: -421.802193 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -163.254 flat angles C4'-P-C4' energy: -83.619 flat angles P-C4'-P energy: -61.638 tors. eta vs tors. theta energy: 28.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2538.499545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.499545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.499545 (E_RNA) where: Base-Base interactions energy: -1623.873 where: short stacking energy: -750.034 Base-Backbone interact. energy: -2.734 local terms energy: -911.893211 where: bonds (distance) C4'-P energy: -192.471 bonds (distance) P-C4' energy: -181.267 flat angles C4'-P-C4' energy: -201.390 flat angles P-C4'-P energy: -117.166 tors. eta vs tors. theta energy: -219.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2372.658154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.658154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.658154 (E_RNA) where: Base-Base interactions energy: -1514.413 where: short stacking energy: -748.718 Base-Backbone interact. energy: -3.485 local terms energy: -854.759297 where: bonds (distance) C4'-P energy: -179.737 bonds (distance) P-C4' energy: -176.350 flat angles C4'-P-C4' energy: -174.276 flat angles P-C4'-P energy: -127.396 tors. eta vs tors. theta energy: -197.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2250.965246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.965246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.965246 (E_RNA) where: Base-Base interactions energy: -1428.807 where: short stacking energy: -693.496 Base-Backbone interact. energy: -2.366 local terms energy: -819.792431 where: bonds (distance) C4'-P energy: -174.649 bonds (distance) P-C4' energy: -181.509 flat angles C4'-P-C4' energy: -186.625 flat angles P-C4'-P energy: -120.566 tors. eta vs tors. theta energy: -156.443 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: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2078.389585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.389585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.389585 (E_RNA) where: Base-Base interactions energy: -1317.705 where: short stacking energy: -625.673 Base-Backbone interact. energy: -1.545 local terms energy: -759.139229 where: bonds (distance) C4'-P energy: -158.203 bonds (distance) P-C4' energy: -169.844 flat angles C4'-P-C4' energy: -178.622 flat angles P-C4'-P energy: -105.733 tors. eta vs tors. theta energy: -146.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1881.743311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.743311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.743311 (E_RNA) where: Base-Base interactions energy: -1169.503 where: short stacking energy: -596.278 Base-Backbone interact. energy: 2.764 local terms energy: -715.004737 where: bonds (distance) C4'-P energy: -167.085 bonds (distance) P-C4' energy: -165.373 flat angles C4'-P-C4' energy: -158.077 flat angles P-C4'-P energy: -101.470 tors. eta vs tors. theta energy: -123.000 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: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1640.263898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.263898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.263898 (E_RNA) where: Base-Base interactions energy: -968.809 where: short stacking energy: -480.728 Base-Backbone interact. energy: -2.916 local terms energy: -668.539370 where: bonds (distance) C4'-P energy: -171.801 bonds (distance) P-C4' energy: -161.741 flat angles C4'-P-C4' energy: -157.581 flat angles P-C4'-P energy: -89.748 tors. eta vs tors. theta energy: -87.669 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: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1268.673582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.673582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.673582 (E_RNA) where: Base-Base interactions energy: -673.876 where: short stacking energy: -363.532 Base-Backbone interact. energy: 1.571 local terms energy: -596.368591 where: bonds (distance) C4'-P energy: -140.935 bonds (distance) P-C4' energy: -167.267 flat angles C4'-P-C4' energy: -135.838 flat angles P-C4'-P energy: -94.546 tors. eta vs tors. theta energy: -57.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -989.693399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.693399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.693399 (E_RNA) where: Base-Base interactions energy: -449.853 where: short stacking energy: -271.192 Base-Backbone interact. energy: 6.549 local terms energy: -546.389916 where: bonds (distance) C4'-P energy: -146.919 bonds (distance) P-C4' energy: -161.532 flat angles C4'-P-C4' energy: -135.361 flat angles P-C4'-P energy: -79.586 tors. eta vs tors. theta energy: -22.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -763.959078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.959078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.959078 (E_RNA) where: Base-Base interactions energy: -300.752 where: short stacking energy: -226.035 Base-Backbone interact. energy: 5.949 local terms energy: -469.156881 where: bonds (distance) C4'-P energy: -164.607 bonds (distance) P-C4' energy: -141.564 flat angles C4'-P-C4' energy: -111.146 flat angles P-C4'-P energy: -75.813 tors. eta vs tors. theta energy: 23.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -730.141722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.141722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.141722 (E_RNA) where: Base-Base interactions energy: -295.477 where: short stacking energy: -233.717 Base-Backbone interact. energy: 9.047 local terms energy: -443.712036 where: bonds (distance) C4'-P energy: -149.059 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -121.962 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: 25.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2559.117508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.117508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.117508 (E_RNA) where: Base-Base interactions energy: -1662.912 where: short stacking energy: -768.598 Base-Backbone interact. energy: -4.016 local terms energy: -892.189620 where: bonds (distance) C4'-P energy: -177.793 bonds (distance) P-C4' energy: -178.051 flat angles C4'-P-C4' energy: -201.807 flat angles P-C4'-P energy: -109.230 tors. eta vs tors. theta energy: -225.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2347.161932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.161932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.161932 (E_RNA) where: Base-Base interactions energy: -1487.276 where: short stacking energy: -729.916 Base-Backbone interact. energy: 0.489 local terms energy: -860.375460 where: bonds (distance) C4'-P energy: -171.130 bonds (distance) P-C4' energy: -180.925 flat angles C4'-P-C4' energy: -194.804 flat angles P-C4'-P energy: -121.054 tors. eta vs tors. theta energy: -192.463 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: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2266.074435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.074435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.074435 (E_RNA) where: Base-Base interactions energy: -1475.144 where: short stacking energy: -679.381 Base-Backbone interact. energy: -4.416 local terms energy: -786.514315 where: bonds (distance) C4'-P energy: -165.130 bonds (distance) P-C4' energy: -162.993 flat angles C4'-P-C4' energy: -178.928 flat angles P-C4'-P energy: -117.114 tors. eta vs tors. theta energy: -162.348 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: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2094.517559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.517559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.517559 (E_RNA) where: Base-Base interactions energy: -1321.423 where: short stacking energy: -613.203 Base-Backbone interact. energy: -2.978 local terms energy: -770.116564 where: bonds (distance) C4'-P energy: -156.412 bonds (distance) P-C4' energy: -154.152 flat angles C4'-P-C4' energy: -195.150 flat angles P-C4'-P energy: -115.017 tors. eta vs tors. theta energy: -149.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1911.246522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.246522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.246522 (E_RNA) where: Base-Base interactions energy: -1190.072 where: short stacking energy: -565.414 Base-Backbone interact. energy: 0.228 local terms energy: -721.403017 where: bonds (distance) C4'-P energy: -176.293 bonds (distance) P-C4' energy: -141.043 flat angles C4'-P-C4' energy: -168.228 flat angles P-C4'-P energy: -115.381 tors. eta vs tors. theta energy: -120.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1625.425300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.425300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.425300 (E_RNA) where: Base-Base interactions energy: -954.017 where: short stacking energy: -475.859 Base-Backbone interact. energy: 3.058 local terms energy: -674.466052 where: bonds (distance) C4'-P energy: -176.765 bonds (distance) P-C4' energy: -149.573 flat angles C4'-P-C4' energy: -150.120 flat angles P-C4'-P energy: -107.174 tors. eta vs tors. theta energy: -90.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1284.579232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.579232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.579232 (E_RNA) where: Base-Base interactions energy: -672.135 where: short stacking energy: -342.977 Base-Backbone interact. energy: -1.966 local terms energy: -610.478130 where: bonds (distance) C4'-P energy: -156.922 bonds (distance) P-C4' energy: -173.617 flat angles C4'-P-C4' energy: -147.174 flat angles P-C4'-P energy: -85.793 tors. eta vs tors. theta energy: -46.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -977.455749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.455749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.455749 (E_RNA) where: Base-Base interactions energy: -455.029 where: short stacking energy: -301.937 Base-Backbone interact. energy: 1.325 local terms energy: -523.751593 where: bonds (distance) C4'-P energy: -150.369 bonds (distance) P-C4' energy: -139.104 flat angles C4'-P-C4' energy: -130.852 flat angles P-C4'-P energy: -89.724 tors. eta vs tors. theta energy: -13.702 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: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -841.015555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.015555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.015555 (E_RNA) where: Base-Base interactions energy: -293.487 where: short stacking energy: -226.713 Base-Backbone interact. energy: 2.720 local terms energy: -550.248776 where: bonds (distance) C4'-P energy: -160.983 bonds (distance) P-C4' energy: -152.802 flat angles C4'-P-C4' energy: -170.424 flat angles P-C4'-P energy: -78.485 tors. eta vs tors. theta energy: 12.445 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: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -649.993116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.993116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.993116 (E_RNA) where: Base-Base interactions energy: -230.305 where: short stacking energy: -195.365 Base-Backbone interact. energy: -1.653 local terms energy: -418.034842 where: bonds (distance) C4'-P energy: -131.414 bonds (distance) P-C4' energy: -132.213 flat angles C4'-P-C4' energy: -114.181 flat angles P-C4'-P energy: -80.835 tors. eta vs tors. theta energy: 40.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2563.077203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.077203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.077203 (E_RNA) where: Base-Base interactions energy: -1665.825 where: short stacking energy: -807.385 Base-Backbone interact. energy: -5.256 local terms energy: -891.996350 where: bonds (distance) C4'-P energy: -181.133 bonds (distance) P-C4' energy: -175.574 flat angles C4'-P-C4' energy: -195.015 flat angles P-C4'-P energy: -122.261 tors. eta vs tors. theta energy: -218.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2370.644905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.644905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.644905 (E_RNA) where: Base-Base interactions energy: -1534.219 where: short stacking energy: -699.008 Base-Backbone interact. energy: -0.245 local terms energy: -836.180477 where: bonds (distance) C4'-P energy: -163.353 bonds (distance) P-C4' energy: -182.669 flat angles C4'-P-C4' energy: -185.940 flat angles P-C4'-P energy: -139.736 tors. eta vs tors. theta energy: -164.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2280.584294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.584294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.584294 (E_RNA) where: Base-Base interactions energy: -1435.433 where: short stacking energy: -664.460 Base-Backbone interact. energy: -3.954 local terms energy: -841.196809 where: bonds (distance) C4'-P energy: -159.621 bonds (distance) P-C4' energy: -190.006 flat angles C4'-P-C4' energy: -183.660 flat angles P-C4'-P energy: -123.099 tors. eta vs tors. theta energy: -184.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2062.553482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.553482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.553482 (E_RNA) where: Base-Base interactions energy: -1269.671 where: short stacking energy: -603.389 Base-Backbone interact. energy: -0.023 local terms energy: -792.859644 where: bonds (distance) C4'-P energy: -174.247 bonds (distance) P-C4' energy: -185.758 flat angles C4'-P-C4' energy: -180.455 flat angles P-C4'-P energy: -109.970 tors. eta vs tors. theta energy: -142.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1893.383868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.383868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.383868 (E_RNA) where: Base-Base interactions energy: -1150.652 where: short stacking energy: -546.519 Base-Backbone interact. energy: 0.760 local terms energy: -743.492572 where: bonds (distance) C4'-P energy: -153.080 bonds (distance) P-C4' energy: -176.363 flat angles C4'-P-C4' energy: -172.095 flat angles P-C4'-P energy: -122.196 tors. eta vs tors. theta energy: -119.759 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: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1551.556479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.556479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.556479 (E_RNA) where: Base-Base interactions energy: -923.724 where: short stacking energy: -477.495 Base-Backbone interact. energy: 9.013 local terms energy: -636.845200 where: bonds (distance) C4'-P energy: -153.160 bonds (distance) P-C4' energy: -162.239 flat angles C4'-P-C4' energy: -164.959 flat angles P-C4'-P energy: -80.212 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: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1287.850798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.850798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.850798 (E_RNA) where: Base-Base interactions energy: -689.786 where: short stacking energy: -386.375 Base-Backbone interact. energy: -0.403 local terms energy: -597.661758 where: bonds (distance) C4'-P energy: -157.229 bonds (distance) P-C4' energy: -132.149 flat angles C4'-P-C4' energy: -164.780 flat angles P-C4'-P energy: -99.602 tors. eta vs tors. theta energy: -43.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -992.958185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.958185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.958185 (E_RNA) where: Base-Base interactions energy: -441.856 where: short stacking energy: -296.454 Base-Backbone interact. energy: -2.446 local terms energy: -548.656266 where: bonds (distance) C4'-P energy: -136.374 bonds (distance) P-C4' energy: -156.164 flat angles C4'-P-C4' energy: -145.875 flat angles P-C4'-P energy: -89.411 tors. eta vs tors. theta energy: -20.832 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: 43 Temperature: 1.300000 Total energy: -809.261563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.261563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.261563 (E_RNA) where: Base-Base interactions energy: -328.411 where: short stacking energy: -240.289 Base-Backbone interact. energy: 3.889 local terms energy: -484.739388 where: bonds (distance) C4'-P energy: -135.190 bonds (distance) P-C4' energy: -164.238 flat angles C4'-P-C4' energy: -128.072 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: 33.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -698.162638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.162638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.162638 (E_RNA) where: Base-Base interactions energy: -244.011 where: short stacking energy: -196.689 Base-Backbone interact. energy: 4.648 local terms energy: -458.800265 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -155.476 flat angles C4'-P-C4' energy: -131.945 flat angles P-C4'-P energy: -74.422 tors. eta vs tors. theta energy: 41.631 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: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2603.958394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.958394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.958394 (E_RNA) where: Base-Base interactions energy: -1716.297 where: short stacking energy: -791.691 Base-Backbone interact. energy: -3.480 local terms energy: -884.181224 where: bonds (distance) C4'-P energy: -185.757 bonds (distance) P-C4' energy: -183.000 flat angles C4'-P-C4' energy: -182.792 flat angles P-C4'-P energy: -113.309 tors. eta vs tors. theta energy: -219.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2409.286247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.286247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.286247 (E_RNA) where: Base-Base interactions energy: -1543.183 where: short stacking energy: -719.665 Base-Backbone interact. energy: -5.561 local terms energy: -860.541592 where: bonds (distance) C4'-P energy: -173.303 bonds (distance) P-C4' energy: -175.412 flat angles C4'-P-C4' energy: -201.609 flat angles P-C4'-P energy: -118.984 tors. eta vs tors. theta energy: -191.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2234.592058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.592058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.592058 (E_RNA) where: Base-Base interactions energy: -1413.787 where: short stacking energy: -690.306 Base-Backbone interact. energy: -1.528 local terms energy: -819.277426 where: bonds (distance) C4'-P energy: -152.517 bonds (distance) P-C4' energy: -182.303 flat angles C4'-P-C4' energy: -193.343 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -177.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2095.664270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.664270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.664270 (E_RNA) where: Base-Base interactions energy: -1331.749 where: short stacking energy: -604.635 Base-Backbone interact. energy: -4.168 local terms energy: -759.747593 where: bonds (distance) C4'-P energy: -150.428 bonds (distance) P-C4' energy: -173.561 flat angles C4'-P-C4' energy: -180.081 flat angles P-C4'-P energy: -119.752 tors. eta vs tors. theta energy: -135.925 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: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1900.510890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.510890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.510890 (E_RNA) where: Base-Base interactions energy: -1179.565 where: short stacking energy: -591.826 Base-Backbone interact. energy: 0.539 local terms energy: -721.484927 where: bonds (distance) C4'-P energy: -154.577 bonds (distance) P-C4' energy: -159.661 flat angles C4'-P-C4' energy: -178.983 flat angles P-C4'-P energy: -95.893 tors. eta vs tors. theta energy: -132.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1551.618318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.618318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.618318 (E_RNA) where: Base-Base interactions energy: -896.858 where: short stacking energy: -456.116 Base-Backbone interact. energy: 3.185 local terms energy: -657.945382 where: bonds (distance) C4'-P energy: -155.861 bonds (distance) P-C4' energy: -170.246 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -93.148 tors. eta vs tors. theta energy: -84.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1186.949469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.949469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.949469 (E_RNA) where: Base-Base interactions energy: -591.148 where: short stacking energy: -338.146 Base-Backbone interact. energy: 0.993 local terms energy: -596.794989 where: bonds (distance) C4'-P energy: -154.220 bonds (distance) P-C4' energy: -177.356 flat angles C4'-P-C4' energy: -147.115 flat angles P-C4'-P energy: -83.668 tors. eta vs tors. theta energy: -34.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -971.005670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.005670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.005670 (E_RNA) where: Base-Base interactions energy: -454.101 where: short stacking energy: -299.409 Base-Backbone interact. energy: -2.724 local terms energy: -514.181143 where: bonds (distance) C4'-P energy: -145.899 bonds (distance) P-C4' energy: -167.838 flat angles C4'-P-C4' energy: -110.985 flat angles P-C4'-P energy: -70.509 tors. eta vs tors. theta energy: -18.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -827.296737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.296737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.296737 (E_RNA) where: Base-Base interactions energy: -311.785 where: short stacking energy: -209.755 Base-Backbone interact. energy: 9.021 local terms energy: -524.532986 where: bonds (distance) C4'-P energy: -150.509 bonds (distance) P-C4' energy: -175.462 flat angles C4'-P-C4' energy: -136.568 flat angles P-C4'-P energy: -84.177 tors. eta vs tors. theta energy: 22.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -676.727402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.727402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.727402 (E_RNA) where: Base-Base interactions energy: -211.907 where: short stacking energy: -167.756 Base-Backbone interact. energy: 0.652 local terms energy: -465.472008 where: bonds (distance) C4'-P energy: -161.730 bonds (distance) P-C4' energy: -162.872 flat angles C4'-P-C4' energy: -116.938 flat angles P-C4'-P energy: -77.820 tors. eta vs tors. theta energy: 53.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2573.926931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.926931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.926931 (E_RNA) where: Base-Base interactions energy: -1687.021 where: short stacking energy: -787.595 Base-Backbone interact. energy: 3.232 local terms energy: -890.138772 where: bonds (distance) C4'-P energy: -178.130 bonds (distance) P-C4' energy: -177.673 flat angles C4'-P-C4' energy: -188.984 flat angles P-C4'-P energy: -129.085 tors. eta vs tors. theta energy: -216.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2434.852076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.852076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.852076 (E_RNA) where: Base-Base interactions energy: -1558.194 where: short stacking energy: -725.282 Base-Backbone interact. energy: -2.864 local terms energy: -873.794019 where: bonds (distance) C4'-P energy: -144.885 bonds (distance) P-C4' energy: -201.328 flat angles C4'-P-C4' energy: -196.178 flat angles P-C4'-P energy: -129.147 tors. eta vs tors. theta energy: -202.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2242.583466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.583466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.583466 (E_RNA) where: Base-Base interactions energy: -1398.276 where: short stacking energy: -698.623 Base-Backbone interact. energy: -0.061 local terms energy: -844.247019 where: bonds (distance) C4'-P energy: -162.888 bonds (distance) P-C4' energy: -183.748 flat angles C4'-P-C4' energy: -194.436 flat angles P-C4'-P energy: -122.671 tors. eta vs tors. theta energy: -180.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2166.276182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.276182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.276182 (E_RNA) where: Base-Base interactions energy: -1353.773 where: short stacking energy: -613.125 Base-Backbone interact. energy: -1.977 local terms energy: -810.526439 where: bonds (distance) C4'-P energy: -165.824 bonds (distance) P-C4' energy: -173.083 flat angles C4'-P-C4' energy: -196.766 flat angles P-C4'-P energy: -121.425 tors. eta vs tors. theta energy: -153.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1894.593479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.593479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.593479 (E_RNA) where: Base-Base interactions energy: -1144.370 where: short stacking energy: -587.541 Base-Backbone interact. energy: -3.582 local terms energy: -746.641166 where: bonds (distance) C4'-P energy: -157.416 bonds (distance) P-C4' energy: -163.284 flat angles C4'-P-C4' energy: -161.552 flat angles P-C4'-P energy: -114.095 tors. eta vs tors. theta energy: -150.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1532.388778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.388778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.388778 (E_RNA) where: Base-Base interactions energy: -904.480 where: short stacking energy: -464.086 Base-Backbone interact. energy: 5.589 local terms energy: -633.498023 where: bonds (distance) C4'-P energy: -161.959 bonds (distance) P-C4' energy: -157.171 flat angles C4'-P-C4' energy: -151.542 flat angles P-C4'-P energy: -89.340 tors. eta vs tors. theta energy: -73.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1149.359583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.359583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.359583 (E_RNA) where: Base-Base interactions energy: -604.064 where: short stacking energy: -341.779 Base-Backbone interact. energy: 5.615 local terms energy: -550.910793 where: bonds (distance) C4'-P energy: -136.191 bonds (distance) P-C4' energy: -171.596 flat angles C4'-P-C4' energy: -144.955 flat angles P-C4'-P energy: -83.165 tors. eta vs tors. theta energy: -15.004 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: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1027.883651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.883651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.883651 (E_RNA) where: Base-Base interactions energy: -488.151 where: short stacking energy: -300.703 Base-Backbone interact. energy: -2.438 local terms energy: -537.295356 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -153.691 flat angles C4'-P-C4' energy: -129.800 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -15.558 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: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -809.042110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.042110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.042110 (E_RNA) where: Base-Base interactions energy: -329.035 where: short stacking energy: -205.187 Base-Backbone interact. energy: 4.571 local terms energy: -484.577810 where: bonds (distance) C4'-P energy: -131.310 bonds (distance) P-C4' energy: -161.802 flat angles C4'-P-C4' energy: -144.529 flat angles P-C4'-P energy: -77.616 tors. eta vs tors. theta energy: 30.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -660.863785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.863785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.863785 (E_RNA) where: Base-Base interactions energy: -205.469 where: short stacking energy: -148.730 Base-Backbone interact. energy: -5.513 local terms energy: -449.882115 where: bonds (distance) C4'-P energy: -132.312 bonds (distance) P-C4' energy: -154.165 flat angles C4'-P-C4' energy: -141.350 flat angles P-C4'-P energy: -70.190 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: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2558.110480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.110480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.110480 (E_RNA) where: Base-Base interactions energy: -1645.499 where: short stacking energy: -815.718 Base-Backbone interact. energy: -2.073 local terms energy: -910.538533 where: bonds (distance) C4'-P energy: -185.465 bonds (distance) P-C4' energy: -182.125 flat angles C4'-P-C4' energy: -185.192 flat angles P-C4'-P energy: -123.698 tors. eta vs tors. theta energy: -234.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2446.074759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.074759 (E_RNA) where: Base-Base interactions energy: -1567.847 where: short stacking energy: -725.278 Base-Backbone interact. energy: -4.644 local terms energy: -873.583296 where: bonds (distance) C4'-P energy: -181.945 bonds (distance) P-C4' energy: -182.949 flat angles C4'-P-C4' energy: -199.589 flat angles P-C4'-P energy: -115.302 tors. eta vs tors. theta energy: -193.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2300.351300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.351300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.351300 (E_RNA) where: Base-Base interactions energy: -1432.499 where: short stacking energy: -690.675 Base-Backbone interact. energy: 2.628 local terms energy: -870.480260 where: bonds (distance) C4'-P energy: -178.628 bonds (distance) P-C4' energy: -168.004 flat angles C4'-P-C4' energy: -201.492 flat angles P-C4'-P energy: -144.791 tors. eta vs tors. theta energy: -177.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2126.227658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.227658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.227658 (E_RNA) where: Base-Base interactions energy: -1344.445 where: short stacking energy: -600.416 Base-Backbone interact. energy: -2.832 local terms energy: -778.950831 where: bonds (distance) C4'-P energy: -163.780 bonds (distance) P-C4' energy: -168.963 flat angles C4'-P-C4' energy: -182.795 flat angles P-C4'-P energy: -121.609 tors. eta vs tors. theta energy: -141.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1913.446804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.446804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.446804 (E_RNA) where: Base-Base interactions energy: -1156.548 where: short stacking energy: -577.219 Base-Backbone interact. energy: 0.777 local terms energy: -757.675910 where: bonds (distance) C4'-P energy: -186.327 bonds (distance) P-C4' energy: -165.032 flat angles C4'-P-C4' energy: -149.528 flat angles P-C4'-P energy: -115.667 tors. eta vs tors. theta energy: -141.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1525.992206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.992206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.992206 (E_RNA) where: Base-Base interactions energy: -893.590 where: short stacking energy: -433.637 Base-Backbone interact. energy: -1.979 local terms energy: -630.422899 where: bonds (distance) C4'-P energy: -157.139 bonds (distance) P-C4' energy: -171.226 flat angles C4'-P-C4' energy: -149.533 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -57.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1143.808355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.808355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.808355 (E_RNA) where: Base-Base interactions energy: -566.370 where: short stacking energy: -352.725 Base-Backbone interact. energy: -0.874 local terms energy: -576.563880 where: bonds (distance) C4'-P energy: -170.227 bonds (distance) P-C4' energy: -150.293 flat angles C4'-P-C4' energy: -157.871 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -25.494 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: 46 Temperature: 1.250000 Total energy: -1066.617545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.617545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.617545 (E_RNA) where: Base-Base interactions energy: -493.987 where: short stacking energy: -297.458 Base-Backbone interact. energy: -1.148 local terms energy: -571.483039 where: bonds (distance) C4'-P energy: -168.970 bonds (distance) P-C4' energy: -158.287 flat angles C4'-P-C4' energy: -137.782 flat angles P-C4'-P energy: -83.348 tors. eta vs tors. theta energy: -23.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -847.516051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.516051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.516051 (E_RNA) where: Base-Base interactions energy: -347.631 where: short stacking energy: -236.041 Base-Backbone interact. energy: 9.798 local terms energy: -509.682861 where: bonds (distance) C4'-P energy: -145.258 bonds (distance) P-C4' energy: -170.148 flat angles C4'-P-C4' energy: -133.096 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: 17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -682.002513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.002513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.002513 (E_RNA) where: Base-Base interactions energy: -246.604 where: short stacking energy: -211.142 Base-Backbone interact. energy: -0.198 local terms energy: -435.200554 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -139.888 flat angles C4'-P-C4' energy: -113.106 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: 29.078 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: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2587.926179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.926179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.926179 (E_RNA) where: Base-Base interactions energy: -1679.652 where: short stacking energy: -809.319 Base-Backbone interact. energy: -3.037 local terms energy: -905.237261 where: bonds (distance) C4'-P energy: -190.668 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -202.240 flat angles P-C4'-P energy: -112.147 tors. eta vs tors. theta energy: -225.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2468.050553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.050553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.050553 (E_RNA) where: Base-Base interactions energy: -1603.384 where: short stacking energy: -724.425 Base-Backbone interact. energy: -1.691 local terms energy: -862.975847 where: bonds (distance) C4'-P energy: -181.321 bonds (distance) P-C4' energy: -185.410 flat angles C4'-P-C4' energy: -190.584 flat angles P-C4'-P energy: -119.016 tors. eta vs tors. theta energy: -186.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2267.424298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.424298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.424298 (E_RNA) where: Base-Base interactions energy: -1423.399 where: short stacking energy: -657.071 Base-Backbone interact. energy: -0.958 local terms energy: -843.067202 where: bonds (distance) C4'-P energy: -182.730 bonds (distance) P-C4' energy: -183.863 flat angles C4'-P-C4' energy: -200.364 flat angles P-C4'-P energy: -117.990 tors. eta vs tors. theta energy: -158.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2105.217383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.217383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.217383 (E_RNA) where: Base-Base interactions energy: -1359.463 where: short stacking energy: -626.246 Base-Backbone interact. energy: 2.146 local terms energy: -747.899888 where: bonds (distance) C4'-P energy: -164.057 bonds (distance) P-C4' energy: -171.388 flat angles C4'-P-C4' energy: -161.110 flat angles P-C4'-P energy: -104.009 tors. eta vs tors. theta energy: -147.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1935.873856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.873856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.873856 (E_RNA) where: Base-Base interactions energy: -1196.952 where: short stacking energy: -565.989 Base-Backbone interact. energy: -2.756 local terms energy: -736.165374 where: bonds (distance) C4'-P energy: -148.522 bonds (distance) P-C4' energy: -182.300 flat angles C4'-P-C4' energy: -183.872 flat angles P-C4'-P energy: -110.072 tors. eta vs tors. theta energy: -111.399 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: 47 Temperature: 1.150000 Total energy: -1501.917279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.917279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.917279 (E_RNA) where: Base-Base interactions energy: -883.726 where: short stacking energy: -435.208 Base-Backbone interact. energy: -1.424 local terms energy: -616.767377 where: bonds (distance) C4'-P energy: -148.424 bonds (distance) P-C4' energy: -165.543 flat angles C4'-P-C4' energy: -140.486 flat angles P-C4'-P energy: -93.634 tors. eta vs tors. theta energy: -68.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1238.706963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.706963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.706963 (E_RNA) where: Base-Base interactions energy: -635.237 where: short stacking energy: -358.567 Base-Backbone interact. energy: -0.010 local terms energy: -603.459879 where: bonds (distance) C4'-P energy: -166.527 bonds (distance) P-C4' energy: -143.510 flat angles C4'-P-C4' energy: -172.033 flat angles P-C4'-P energy: -83.413 tors. eta vs tors. theta energy: -37.977 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: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1089.857722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.857722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.857722 (E_RNA) where: Base-Base interactions energy: -550.571 where: short stacking energy: -311.665 Base-Backbone interact. energy: 2.386 local terms energy: -541.672699 where: bonds (distance) C4'-P energy: -159.664 bonds (distance) P-C4' energy: -148.998 flat angles C4'-P-C4' energy: -124.122 flat angles P-C4'-P energy: -83.548 tors. eta vs tors. theta energy: -25.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -845.444331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.444331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.444331 (E_RNA) where: Base-Base interactions energy: -364.908 where: short stacking energy: -216.377 Base-Backbone interact. energy: 3.258 local terms energy: -483.794284 where: bonds (distance) C4'-P energy: -163.021 bonds (distance) P-C4' energy: -156.862 flat angles C4'-P-C4' energy: -128.753 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: 21.285 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: 47 Temperature: 1.350000 Total energy: -721.204014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.204014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.204014 (E_RNA) where: Base-Base interactions energy: -264.810 where: short stacking energy: -197.729 Base-Backbone interact. energy: -2.689 local terms energy: -453.705388 where: bonds (distance) C4'-P energy: -135.579 bonds (distance) P-C4' energy: -153.896 flat angles C4'-P-C4' energy: -102.478 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: 32.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2602.812204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.812204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.812204 (E_RNA) where: Base-Base interactions energy: -1680.353 where: short stacking energy: -822.809 Base-Backbone interact. energy: 0.055 local terms energy: -922.514638 where: bonds (distance) C4'-P energy: -178.174 bonds (distance) P-C4' energy: -179.765 flat angles C4'-P-C4' energy: -209.787 flat angles P-C4'-P energy: -129.492 tors. eta vs tors. theta energy: -225.297 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: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2458.400125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.400125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.400125 (E_RNA) where: Base-Base interactions energy: -1595.906 where: short stacking energy: -730.469 Base-Backbone interact. energy: -2.429 local terms energy: -860.064890 where: bonds (distance) C4'-P energy: -178.102 bonds (distance) P-C4' energy: -191.610 flat angles C4'-P-C4' energy: -205.707 flat angles P-C4'-P energy: -112.853 tors. eta vs tors. theta energy: -171.793 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: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2202.818615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.818615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.818615 (E_RNA) where: Base-Base interactions energy: -1406.904 where: short stacking energy: -671.200 Base-Backbone interact. energy: -3.349 local terms energy: -792.565928 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -186.207 flat angles C4'-P-C4' energy: -186.116 flat angles P-C4'-P energy: -109.408 tors. eta vs tors. theta energy: -159.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2218.846228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.846228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.846228 (E_RNA) where: Base-Base interactions energy: -1416.263 where: short stacking energy: -622.613 Base-Backbone interact. energy: -2.013 local terms energy: -800.571004 where: bonds (distance) C4'-P energy: -174.747 bonds (distance) P-C4' energy: -175.698 flat angles C4'-P-C4' energy: -180.636 flat angles P-C4'-P energy: -129.737 tors. eta vs tors. theta energy: -139.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1953.377299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.377299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.377299 (E_RNA) where: Base-Base interactions energy: -1220.383 where: short stacking energy: -588.372 Base-Backbone interact. energy: -1.857 local terms energy: -731.136806 where: bonds (distance) C4'-P energy: -156.892 bonds (distance) P-C4' energy: -172.023 flat angles C4'-P-C4' energy: -155.434 flat angles P-C4'-P energy: -102.355 tors. eta vs tors. theta energy: -144.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1562.117839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.117839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.117839 (E_RNA) where: Base-Base interactions energy: -900.603 where: short stacking energy: -465.766 Base-Backbone interact. energy: -0.054 local terms energy: -661.460924 where: bonds (distance) C4'-P energy: -148.572 bonds (distance) P-C4' energy: -158.707 flat angles C4'-P-C4' energy: -156.570 flat angles P-C4'-P energy: -101.775 tors. eta vs tors. theta energy: -95.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1199.294606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.294606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.294606 (E_RNA) where: Base-Base interactions energy: -614.359 where: short stacking energy: -354.422 Base-Backbone interact. energy: -3.739 local terms energy: -581.195777 where: bonds (distance) C4'-P energy: -146.662 bonds (distance) P-C4' energy: -164.596 flat angles C4'-P-C4' energy: -154.667 flat angles P-C4'-P energy: -93.935 tors. eta vs tors. theta energy: -21.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1043.019379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.019379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.019379 (E_RNA) where: Base-Base interactions energy: -480.122 where: short stacking energy: -278.293 Base-Backbone interact. energy: 1.481 local terms energy: -564.378353 where: bonds (distance) C4'-P energy: -166.038 bonds (distance) P-C4' energy: -164.590 flat angles C4'-P-C4' energy: -141.562 flat angles P-C4'-P energy: -86.186 tors. eta vs tors. theta energy: -6.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -768.251411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.251411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.251411 (E_RNA) where: Base-Base interactions energy: -307.285 where: short stacking energy: -188.398 Base-Backbone interact. energy: -1.983 local terms energy: -458.983838 where: bonds (distance) C4'-P energy: -137.119 bonds (distance) P-C4' energy: -159.339 flat angles C4'-P-C4' energy: -133.089 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: 44.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -737.478981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.478981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.478981 (E_RNA) where: Base-Base interactions energy: -245.968 where: short stacking energy: -177.636 Base-Backbone interact. energy: -0.204 local terms energy: -491.306837 where: bonds (distance) C4'-P energy: -157.533 bonds (distance) P-C4' energy: -145.160 flat angles C4'-P-C4' energy: -132.090 flat angles P-C4'-P energy: -78.577 tors. eta vs tors. theta energy: 22.053 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: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2488.948891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.948891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.948891 (E_RNA) where: Base-Base interactions energy: -1587.136 where: short stacking energy: -793.662 Base-Backbone interact. energy: -3.696 local terms energy: -898.116918 where: bonds (distance) C4'-P energy: -180.776 bonds (distance) P-C4' energy: -182.053 flat angles C4'-P-C4' energy: -195.051 flat angles P-C4'-P energy: -124.299 tors. eta vs tors. theta energy: -215.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2487.234907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.234907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.234907 (E_RNA) where: Base-Base interactions energy: -1646.329 where: short stacking energy: -731.660 Base-Backbone interact. energy: -2.186 local terms energy: -838.720816 where: bonds (distance) C4'-P energy: -169.794 bonds (distance) P-C4' energy: -177.541 flat angles C4'-P-C4' energy: -189.320 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -198.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2190.936574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.936574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.936574 (E_RNA) where: Base-Base interactions energy: -1361.192 where: short stacking energy: -638.354 Base-Backbone interact. energy: -6.128 local terms energy: -823.617056 where: bonds (distance) C4'-P energy: -174.118 bonds (distance) P-C4' energy: -186.827 flat angles C4'-P-C4' energy: -191.583 flat angles P-C4'-P energy: -109.442 tors. eta vs tors. theta energy: -161.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2151.703195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.703195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.703195 (E_RNA) where: Base-Base interactions energy: -1368.437 where: short stacking energy: -636.402 Base-Backbone interact. energy: -1.907 local terms energy: -781.358389 where: bonds (distance) C4'-P energy: -155.790 bonds (distance) P-C4' energy: -183.206 flat angles C4'-P-C4' energy: -188.022 flat angles P-C4'-P energy: -124.447 tors. eta vs tors. theta energy: -129.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1934.000408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.000408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.000408 (E_RNA) where: Base-Base interactions energy: -1202.925 where: short stacking energy: -565.598 Base-Backbone interact. energy: -1.559 local terms energy: -729.516390 where: bonds (distance) C4'-P energy: -150.685 bonds (distance) P-C4' energy: -162.608 flat angles C4'-P-C4' energy: -184.782 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -119.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1681.547524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.547524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.547524 (E_RNA) where: Base-Base interactions energy: -1001.358 where: short stacking energy: -455.350 Base-Backbone interact. energy: 3.273 local terms energy: -683.462511 where: bonds (distance) C4'-P energy: -141.207 bonds (distance) P-C4' energy: -186.966 flat angles C4'-P-C4' energy: -168.202 flat angles P-C4'-P energy: -87.291 tors. eta vs tors. theta energy: -99.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1254.731433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.731433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.731433 (E_RNA) where: Base-Base interactions energy: -673.301 where: short stacking energy: -382.415 Base-Backbone interact. energy: -1.986 local terms energy: -579.443826 where: bonds (distance) C4'-P energy: -161.283 bonds (distance) P-C4' energy: -152.017 flat angles C4'-P-C4' energy: -141.864 flat angles P-C4'-P energy: -89.089 tors. eta vs tors. theta energy: -35.191 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: 49 Temperature: 1.250000 Total energy: -1114.696317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.696317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.696317 (E_RNA) where: Base-Base interactions energy: -591.976 where: short stacking energy: -329.989 Base-Backbone interact. energy: -0.211 local terms energy: -522.509012 where: bonds (distance) C4'-P energy: -160.558 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -139.914 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: -8.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -779.381789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.381789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.381789 (E_RNA) where: Base-Base interactions energy: -275.695 where: short stacking energy: -215.765 Base-Backbone interact. energy: 0.292 local terms energy: -503.978933 where: bonds (distance) C4'-P energy: -167.891 bonds (distance) P-C4' energy: -161.228 flat angles C4'-P-C4' energy: -135.975 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: 31.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -687.267027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.267027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.267027 (E_RNA) where: Base-Base interactions energy: -256.165 where: short stacking energy: -223.915 Base-Backbone interact. energy: 2.300 local terms energy: -433.402712 where: bonds (distance) C4'-P energy: -138.696 bonds (distance) P-C4' energy: -145.174 flat angles C4'-P-C4' energy: -107.011 flat angles P-C4'-P energy: -60.158 tors. eta vs tors. theta energy: 17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2602.476098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.476098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.476098 (E_RNA) where: Base-Base interactions energy: -1691.379 where: short stacking energy: -773.959 Base-Backbone interact. energy: -1.832 local terms energy: -909.264344 where: bonds (distance) C4'-P energy: -179.060 bonds (distance) P-C4' energy: -197.674 flat angles C4'-P-C4' energy: -203.892 flat angles P-C4'-P energy: -121.764 tors. eta vs tors. theta energy: -206.875 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: 50 Temperature: 0.950000 Total energy: -2451.478243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.478243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.478243 (E_RNA) where: Base-Base interactions energy: -1564.777 where: short stacking energy: -729.706 Base-Backbone interact. energy: -3.624 local terms energy: -883.077518 where: bonds (distance) C4'-P energy: -187.575 bonds (distance) P-C4' energy: -171.988 flat angles C4'-P-C4' energy: -203.775 flat angles P-C4'-P energy: -116.945 tors. eta vs tors. theta energy: -202.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2265.915819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.915819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.915819 (E_RNA) where: Base-Base interactions energy: -1470.767 where: short stacking energy: -662.966 Base-Backbone interact. energy: -1.013 local terms energy: -794.135918 where: bonds (distance) C4'-P energy: -151.279 bonds (distance) P-C4' energy: -177.930 flat angles C4'-P-C4' energy: -193.068 flat angles P-C4'-P energy: -107.093 tors. eta vs tors. theta energy: -164.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2143.861115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.861115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.861115 (E_RNA) where: Base-Base interactions energy: -1378.338 where: short stacking energy: -622.326 Base-Backbone interact. energy: -2.351 local terms energy: -763.172143 where: bonds (distance) C4'-P energy: -164.434 bonds (distance) P-C4' energy: -161.705 flat angles C4'-P-C4' energy: -184.069 flat angles P-C4'-P energy: -117.380 tors. eta vs tors. theta energy: -135.583 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: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1987.283939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.283939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.283939 (E_RNA) where: Base-Base interactions energy: -1232.162 where: short stacking energy: -620.837 Base-Backbone interact. energy: -5.432 local terms energy: -749.690077 where: bonds (distance) C4'-P energy: -163.009 bonds (distance) P-C4' energy: -159.004 flat angles C4'-P-C4' energy: -179.929 flat angles P-C4'-P energy: -90.582 tors. eta vs tors. theta energy: -157.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1699.227840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.227840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.227840 (E_RNA) where: Base-Base interactions energy: -1019.970 where: short stacking energy: -473.167 Base-Backbone interact. energy: 0.414 local terms energy: -679.671378 where: bonds (distance) C4'-P energy: -165.775 bonds (distance) P-C4' energy: -152.476 flat angles C4'-P-C4' energy: -162.694 flat angles P-C4'-P energy: -105.676 tors. eta vs tors. theta energy: -93.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1278.787436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.787436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.787436 (E_RNA) where: Base-Base interactions energy: -683.588 where: short stacking energy: -360.730 Base-Backbone interact. energy: 3.257 local terms energy: -598.455499 where: bonds (distance) C4'-P energy: -168.048 bonds (distance) P-C4' energy: -157.316 flat angles C4'-P-C4' energy: -152.227 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -36.857 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: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1091.367901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.367901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.367901 (E_RNA) where: Base-Base interactions energy: -543.917 where: short stacking energy: -290.534 Base-Backbone interact. energy: 1.168 local terms energy: -548.618460 where: bonds (distance) C4'-P energy: -138.261 bonds (distance) P-C4' energy: -158.840 flat angles C4'-P-C4' energy: -140.765 flat angles P-C4'-P energy: -91.664 tors. eta vs tors. theta energy: -19.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -829.504287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.504287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.504287 (E_RNA) where: Base-Base interactions energy: -332.400 where: short stacking energy: -205.610 Base-Backbone interact. energy: 12.272 local terms energy: -509.376249 where: bonds (distance) C4'-P energy: -161.128 bonds (distance) P-C4' energy: -164.770 flat angles C4'-P-C4' energy: -136.775 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: 37.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -732.086672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.086672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.086672 (E_RNA) where: Base-Base interactions energy: -285.800 where: short stacking energy: -201.316 Base-Backbone interact. energy: 5.386 local terms energy: -451.672673 where: bonds (distance) C4'-P energy: -143.743 bonds (distance) P-C4' energy: -124.694 flat angles C4'-P-C4' energy: -101.970 flat angles P-C4'-P energy: -79.790 tors. eta vs tors. theta energy: -1.476 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: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2628.008718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.008718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.008718 (E_RNA) where: Base-Base interactions energy: -1747.112 where: short stacking energy: -798.247 Base-Backbone interact. energy: -0.454 local terms energy: -880.442491 where: bonds (distance) C4'-P energy: -185.697 bonds (distance) P-C4' energy: -173.182 flat angles C4'-P-C4' energy: -192.147 flat angles P-C4'-P energy: -123.787 tors. eta vs tors. theta energy: -205.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2473.609702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.609702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.609702 (E_RNA) where: Base-Base interactions energy: -1592.714 where: short stacking energy: -737.941 Base-Backbone interact. energy: 0.956 local terms energy: -881.851410 where: bonds (distance) C4'-P energy: -167.660 bonds (distance) P-C4' energy: -177.910 flat angles C4'-P-C4' energy: -207.700 flat angles P-C4'-P energy: -118.982 tors. eta vs tors. theta energy: -209.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2337.481202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.481202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.481202 (E_RNA) where: Base-Base interactions energy: -1515.686 where: short stacking energy: -728.674 Base-Backbone interact. energy: -0.985 local terms energy: -820.810021 where: bonds (distance) C4'-P energy: -151.500 bonds (distance) P-C4' energy: -176.088 flat angles C4'-P-C4' energy: -193.778 flat angles P-C4'-P energy: -111.415 tors. eta vs tors. theta energy: -188.029 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: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2169.045529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.045529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.045529 (E_RNA) where: Base-Base interactions energy: -1399.183 where: short stacking energy: -634.589 Base-Backbone interact. energy: -3.523 local terms energy: -766.339065 where: bonds (distance) C4'-P energy: -171.216 bonds (distance) P-C4' energy: -161.483 flat angles C4'-P-C4' energy: -171.220 flat angles P-C4'-P energy: -111.313 tors. eta vs tors. theta energy: -151.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1953.682004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.682004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.682004 (E_RNA) where: Base-Base interactions energy: -1217.401 where: short stacking energy: -555.981 Base-Backbone interact. energy: 1.888 local terms energy: -738.168764 where: bonds (distance) C4'-P energy: -178.970 bonds (distance) P-C4' energy: -176.000 flat angles C4'-P-C4' energy: -170.647 flat angles P-C4'-P energy: -105.438 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: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1657.347854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.347854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.347854 (E_RNA) where: Base-Base interactions energy: -1021.038 where: short stacking energy: -485.366 Base-Backbone interact. energy: -3.652 local terms energy: -632.657519 where: bonds (distance) C4'-P energy: -142.363 bonds (distance) P-C4' energy: -168.104 flat angles C4'-P-C4' energy: -136.025 flat angles P-C4'-P energy: -98.842 tors. eta vs tors. theta energy: -87.323 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: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1241.030668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.030668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.030668 (E_RNA) where: Base-Base interactions energy: -648.977 where: short stacking energy: -372.148 Base-Backbone interact. energy: -2.336 local terms energy: -589.717119 where: bonds (distance) C4'-P energy: -146.978 bonds (distance) P-C4' energy: -164.970 flat angles C4'-P-C4' energy: -130.947 flat angles P-C4'-P energy: -111.074 tors. eta vs tors. theta energy: -35.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1020.232010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.232010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.232010 (E_RNA) where: Base-Base interactions energy: -463.142 where: short stacking energy: -284.109 Base-Backbone interact. energy: -1.059 local terms energy: -556.030865 where: bonds (distance) C4'-P energy: -161.476 bonds (distance) P-C4' energy: -167.946 flat angles C4'-P-C4' energy: -134.125 flat angles P-C4'-P energy: -85.299 tors. eta vs tors. theta energy: -7.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -822.472231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.472231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.472231 (E_RNA) where: Base-Base interactions energy: -312.002 where: short stacking energy: -243.002 Base-Backbone interact. energy: 7.114 local terms energy: -517.584695 where: bonds (distance) C4'-P energy: -148.882 bonds (distance) P-C4' energy: -184.883 flat angles C4'-P-C4' energy: -110.702 flat angles P-C4'-P energy: -87.252 tors. eta vs tors. theta energy: 14.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -731.595336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.595336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.595336 (E_RNA) where: Base-Base interactions energy: -285.603 where: short stacking energy: -214.779 Base-Backbone interact. energy: 1.095 local terms energy: -447.087756 where: bonds (distance) C4'-P energy: -147.953 bonds (distance) P-C4' energy: -145.839 flat angles C4'-P-C4' energy: -112.950 flat angles P-C4'-P energy: -69.243 tors. eta vs tors. theta energy: 28.897 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: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2694.493221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.493221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.493221 (E_RNA) where: Base-Base interactions energy: -1783.767 where: short stacking energy: -797.006 Base-Backbone interact. energy: -3.092 local terms energy: -907.634225 where: bonds (distance) C4'-P energy: -192.353 bonds (distance) P-C4' energy: -193.386 flat angles C4'-P-C4' energy: -197.118 flat angles P-C4'-P energy: -123.395 tors. eta vs tors. theta energy: -201.382 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: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2464.162928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.162928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.162928 (E_RNA) where: Base-Base interactions energy: -1604.551 where: short stacking energy: -741.133 Base-Backbone interact. energy: -5.014 local terms energy: -854.597628 where: bonds (distance) C4'-P energy: -184.682 bonds (distance) P-C4' energy: -185.604 flat angles C4'-P-C4' energy: -178.040 flat angles P-C4'-P energy: -114.021 tors. eta vs tors. theta energy: -192.250 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2361.968979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.968979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.968979 (E_RNA) where: Base-Base interactions energy: -1523.779 where: short stacking energy: -707.415 Base-Backbone interact. energy: -3.675 local terms energy: -834.514449 where: bonds (distance) C4'-P energy: -171.186 bonds (distance) P-C4' energy: -166.400 flat angles C4'-P-C4' energy: -187.129 flat angles P-C4'-P energy: -121.612 tors. eta vs tors. theta energy: -188.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2144.992464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.992464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.992464 (E_RNA) where: Base-Base interactions energy: -1349.733 where: short stacking energy: -645.917 Base-Backbone interact. energy: -2.019 local terms energy: -793.239712 where: bonds (distance) C4'-P energy: -155.223 bonds (distance) P-C4' energy: -179.328 flat angles C4'-P-C4' energy: -184.231 flat angles P-C4'-P energy: -115.935 tors. eta vs tors. theta energy: -158.523 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: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1987.771978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.771978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.771978 (E_RNA) where: Base-Base interactions energy: -1254.428 where: short stacking energy: -576.305 Base-Backbone interact. energy: -0.966 local terms energy: -732.377729 where: bonds (distance) C4'-P energy: -165.446 bonds (distance) P-C4' energy: -149.969 flat angles C4'-P-C4' energy: -175.984 flat angles P-C4'-P energy: -116.650 tors. eta vs tors. theta energy: -124.330 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: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1654.025308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.025308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.025308 (E_RNA) where: Base-Base interactions energy: -972.759 where: short stacking energy: -488.979 Base-Backbone interact. energy: 2.702 local terms energy: -683.969031 where: bonds (distance) C4'-P energy: -154.149 bonds (distance) P-C4' energy: -143.447 flat angles C4'-P-C4' energy: -167.070 flat angles P-C4'-P energy: -108.810 tors. eta vs tors. theta energy: -110.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1278.072657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.072657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.072657 (E_RNA) where: Base-Base interactions energy: -668.851 where: short stacking energy: -376.370 Base-Backbone interact. energy: -0.100 local terms energy: -609.121532 where: bonds (distance) C4'-P energy: -152.303 bonds (distance) P-C4' energy: -175.636 flat angles C4'-P-C4' energy: -150.624 flat angles P-C4'-P energy: -78.222 tors. eta vs tors. theta energy: -52.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -981.529332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.529332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.529332 (E_RNA) where: Base-Base interactions energy: -485.414 where: short stacking energy: -298.899 Base-Backbone interact. energy: 2.710 local terms energy: -498.824888 where: bonds (distance) C4'-P energy: -141.478 bonds (distance) P-C4' energy: -162.627 flat angles C4'-P-C4' energy: -133.625 flat angles P-C4'-P energy: -76.213 tors. eta vs tors. theta energy: 15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -837.589550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.589550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.589550 (E_RNA) where: Base-Base interactions energy: -344.911 where: short stacking energy: -269.117 Base-Backbone interact. energy: 1.296 local terms energy: -493.973798 where: bonds (distance) C4'-P energy: -152.057 bonds (distance) P-C4' energy: -138.482 flat angles C4'-P-C4' energy: -147.004 flat angles P-C4'-P energy: -69.917 tors. eta vs tors. theta energy: 13.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -684.325541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.325541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.325541 (E_RNA) where: Base-Base interactions energy: -270.491 where: short stacking energy: -167.427 Base-Backbone interact. energy: 5.363 local terms energy: -419.197705 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -151.284 flat angles C4'-P-C4' energy: -124.647 flat angles P-C4'-P energy: -67.585 tors. eta vs tors. theta energy: 65.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2670.357315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.357315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.357315 (E_RNA) where: Base-Base interactions energy: -1758.554 where: short stacking energy: -811.245 Base-Backbone interact. energy: -1.522 local terms energy: -910.280982 where: bonds (distance) C4'-P energy: -187.246 bonds (distance) P-C4' energy: -172.007 flat angles C4'-P-C4' energy: -206.557 flat angles P-C4'-P energy: -133.843 tors. eta vs tors. theta energy: -210.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2474.565572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.565572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.565572 (E_RNA) where: Base-Base interactions energy: -1600.614 where: short stacking energy: -732.085 Base-Backbone interact. energy: -4.878 local terms energy: -869.073382 where: bonds (distance) C4'-P energy: -167.346 bonds (distance) P-C4' energy: -175.158 flat angles C4'-P-C4' energy: -208.846 flat angles P-C4'-P energy: -114.984 tors. eta vs tors. theta energy: -202.739 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: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2349.038868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.038868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.038868 (E_RNA) where: Base-Base interactions energy: -1551.767 where: short stacking energy: -694.296 Base-Backbone interact. energy: -1.952 local terms energy: -795.320065 where: bonds (distance) C4'-P energy: -172.553 bonds (distance) P-C4' energy: -163.042 flat angles C4'-P-C4' energy: -168.594 flat angles P-C4'-P energy: -115.675 tors. eta vs tors. theta energy: -175.456 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2077.028389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.028389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.028389 (E_RNA) where: Base-Base interactions energy: -1295.581 where: short stacking energy: -573.914 Base-Backbone interact. energy: -5.085 local terms energy: -776.362341 where: bonds (distance) C4'-P energy: -177.315 bonds (distance) P-C4' energy: -183.882 flat angles C4'-P-C4' energy: -177.882 flat angles P-C4'-P energy: -97.626 tors. eta vs tors. theta energy: -139.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2003.464705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.464705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.464705 (E_RNA) where: Base-Base interactions energy: -1213.791 where: short stacking energy: -594.758 Base-Backbone interact. energy: 0.700 local terms energy: -790.373155 where: bonds (distance) C4'-P energy: -179.525 bonds (distance) P-C4' energy: -180.645 flat angles C4'-P-C4' energy: -165.657 flat angles P-C4'-P energy: -124.701 tors. eta vs tors. theta energy: -139.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1661.321535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.321535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.321535 (E_RNA) where: Base-Base interactions energy: -984.148 where: short stacking energy: -514.710 Base-Backbone interact. energy: 2.318 local terms energy: -679.490655 where: bonds (distance) C4'-P energy: -163.048 bonds (distance) P-C4' energy: -142.082 flat angles C4'-P-C4' energy: -161.500 flat angles P-C4'-P energy: -104.851 tors. eta vs tors. theta energy: -108.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1289.685143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.685143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.685143 (E_RNA) where: Base-Base interactions energy: -703.340 where: short stacking energy: -360.757 Base-Backbone interact. energy: 5.533 local terms energy: -591.877703 where: bonds (distance) C4'-P energy: -147.335 bonds (distance) P-C4' energy: -159.100 flat angles C4'-P-C4' energy: -142.847 flat angles P-C4'-P energy: -88.870 tors. eta vs tors. theta energy: -53.726 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: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1038.633049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.633049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.633049 (E_RNA) where: Base-Base interactions energy: -497.390 where: short stacking energy: -263.079 Base-Backbone interact. energy: -5.075 local terms energy: -536.167873 where: bonds (distance) C4'-P energy: -145.687 bonds (distance) P-C4' energy: -161.010 flat angles C4'-P-C4' energy: -130.694 flat angles P-C4'-P energy: -92.576 tors. eta vs tors. theta energy: -6.200 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: 53 Temperature: 1.300000 Total energy: -784.369432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.369432 (E_RNA) where: Base-Base interactions energy: -314.893 where: short stacking energy: -213.665 Base-Backbone interact. energy: -0.990 local terms energy: -468.487034 where: bonds (distance) C4'-P energy: -123.122 bonds (distance) P-C4' energy: -161.496 flat angles C4'-P-C4' energy: -133.852 flat angles P-C4'-P energy: -78.080 tors. eta vs tors. theta energy: 28.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -701.191003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.191003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.191003 (E_RNA) where: Base-Base interactions energy: -263.219 where: short stacking energy: -193.202 Base-Backbone interact. energy: 5.588 local terms energy: -443.560145 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -126.158 flat angles C4'-P-C4' energy: -151.395 flat angles P-C4'-P energy: -60.154 tors. eta vs tors. theta energy: 33.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2694.268584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.268584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.268584 (E_RNA) where: Base-Base interactions energy: -1799.382 where: short stacking energy: -818.123 Base-Backbone interact. energy: -0.589 local terms energy: -894.298160 where: bonds (distance) C4'-P energy: -174.335 bonds (distance) P-C4' energy: -178.473 flat angles C4'-P-C4' energy: -200.857 flat angles P-C4'-P energy: -124.638 tors. eta vs tors. theta energy: -215.995 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: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2495.874152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.874152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.874152 (E_RNA) where: Base-Base interactions energy: -1605.982 where: short stacking energy: -753.364 Base-Backbone interact. energy: -0.009 local terms energy: -889.883082 where: bonds (distance) C4'-P energy: -164.760 bonds (distance) P-C4' energy: -188.980 flat angles C4'-P-C4' energy: -198.865 flat angles P-C4'-P energy: -129.791 tors. eta vs tors. theta energy: -207.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2359.514596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.514596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.514596 (E_RNA) where: Base-Base interactions energy: -1537.696 where: short stacking energy: -704.608 Base-Backbone interact. energy: 0.020 local terms energy: -821.839064 where: bonds (distance) C4'-P energy: -176.149 bonds (distance) P-C4' energy: -175.295 flat angles C4'-P-C4' energy: -172.737 flat angles P-C4'-P energy: -115.624 tors. eta vs tors. theta energy: -182.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2132.270157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.270157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.270157 (E_RNA) where: Base-Base interactions energy: -1349.148 where: short stacking energy: -657.598 Base-Backbone interact. energy: -1.315 local terms energy: -781.807243 where: bonds (distance) C4'-P energy: -163.897 bonds (distance) P-C4' energy: -151.661 flat angles C4'-P-C4' energy: -187.215 flat angles P-C4'-P energy: -129.535 tors. eta vs tors. theta energy: -149.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1997.983215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.983215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.983215 (E_RNA) where: Base-Base interactions energy: -1259.454 where: short stacking energy: -622.675 Base-Backbone interact. energy: 2.092 local terms energy: -740.620606 where: bonds (distance) C4'-P energy: -165.704 bonds (distance) P-C4' energy: -170.061 flat angles C4'-P-C4' energy: -173.946 flat angles P-C4'-P energy: -109.573 tors. eta vs tors. theta energy: -121.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1746.202736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.202736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.202736 (E_RNA) where: Base-Base interactions energy: -1058.764 where: short stacking energy: -514.349 Base-Backbone interact. energy: -1.489 local terms energy: -685.949981 where: bonds (distance) C4'-P energy: -149.818 bonds (distance) P-C4' energy: -168.472 flat angles C4'-P-C4' energy: -159.546 flat angles P-C4'-P energy: -101.974 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: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1266.381213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.381213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.381213 (E_RNA) where: Base-Base interactions energy: -634.802 where: short stacking energy: -394.656 Base-Backbone interact. energy: 1.035 local terms energy: -632.613698 where: bonds (distance) C4'-P energy: -141.221 bonds (distance) P-C4' energy: -165.640 flat angles C4'-P-C4' energy: -164.775 flat angles P-C4'-P energy: -89.799 tors. eta vs tors. theta energy: -71.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1160.932261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.932261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.932261 (E_RNA) where: Base-Base interactions energy: -572.253 where: short stacking energy: -334.934 Base-Backbone interact. energy: 2.959 local terms energy: -591.638477 where: bonds (distance) C4'-P energy: -168.251 bonds (distance) P-C4' energy: -178.313 flat angles C4'-P-C4' energy: -129.854 flat angles P-C4'-P energy: -79.691 tors. eta vs tors. theta energy: -35.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -856.383054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.383054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.383054 (E_RNA) where: Base-Base interactions energy: -387.650 where: short stacking energy: -224.789 Base-Backbone interact. energy: -4.849 local terms energy: -463.883939 where: bonds (distance) C4'-P energy: -153.785 bonds (distance) P-C4' energy: -150.673 flat angles C4'-P-C4' energy: -110.921 flat angles P-C4'-P energy: -73.396 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: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -717.858994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.858994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.858994 (E_RNA) where: Base-Base interactions energy: -258.057 where: short stacking energy: -171.404 Base-Backbone interact. energy: -3.004 local terms energy: -456.798414 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -176.413 flat angles C4'-P-C4' energy: -115.744 flat angles P-C4'-P energy: -45.436 tors. eta vs tors. theta energy: 30.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2668.205943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.205943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.205943 (E_RNA) where: Base-Base interactions energy: -1755.514 where: short stacking energy: -765.831 Base-Backbone interact. energy: -3.131 local terms energy: -909.560813 where: bonds (distance) C4'-P energy: -195.412 bonds (distance) P-C4' energy: -170.533 flat angles C4'-P-C4' energy: -215.421 flat angles P-C4'-P energy: -130.585 tors. eta vs tors. theta energy: -197.609 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: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2473.127555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.127555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.127555 (E_RNA) where: Base-Base interactions energy: -1600.549 where: short stacking energy: -716.792 Base-Backbone interact. energy: -2.529 local terms energy: -870.049965 where: bonds (distance) C4'-P energy: -177.276 bonds (distance) P-C4' energy: -182.950 flat angles C4'-P-C4' energy: -198.941 flat angles P-C4'-P energy: -109.152 tors. eta vs tors. theta energy: -201.731 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: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2376.199344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.199344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.199344 (E_RNA) where: Base-Base interactions energy: -1509.571 where: short stacking energy: -708.659 Base-Backbone interact. energy: -1.351 local terms energy: -865.277036 where: bonds (distance) C4'-P energy: -166.578 bonds (distance) P-C4' energy: -178.727 flat angles C4'-P-C4' energy: -191.417 flat angles P-C4'-P energy: -135.014 tors. eta vs tors. theta energy: -193.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2099.394273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.394273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.394273 (E_RNA) where: Base-Base interactions energy: -1314.375 where: short stacking energy: -613.043 Base-Backbone interact. energy: -1.779 local terms energy: -783.239462 where: bonds (distance) C4'-P energy: -166.529 bonds (distance) P-C4' energy: -185.076 flat angles C4'-P-C4' energy: -170.622 flat angles P-C4'-P energy: -114.714 tors. eta vs tors. theta energy: -146.298 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: 55 Temperature: 1.100000 Total energy: -1985.522761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.522761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.522761 (E_RNA) where: Base-Base interactions energy: -1216.960 where: short stacking energy: -585.637 Base-Backbone interact. energy: -5.435 local terms energy: -763.127378 where: bonds (distance) C4'-P energy: -146.614 bonds (distance) P-C4' energy: -172.723 flat angles C4'-P-C4' energy: -182.565 flat angles P-C4'-P energy: -109.864 tors. eta vs tors. theta energy: -151.362 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: 55 Temperature: 1.150000 Total energy: -1746.516070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.516070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.516070 (E_RNA) where: Base-Base interactions energy: -1039.337 where: short stacking energy: -479.645 Base-Backbone interact. energy: -2.289 local terms energy: -704.889901 where: bonds (distance) C4'-P energy: -160.732 bonds (distance) P-C4' energy: -174.325 flat angles C4'-P-C4' energy: -164.002 flat angles P-C4'-P energy: -108.901 tors. eta vs tors. theta energy: -96.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1304.113042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.113042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.113042 (E_RNA) where: Base-Base interactions energy: -695.673 where: short stacking energy: -399.064 Base-Backbone interact. energy: -2.874 local terms energy: -605.566411 where: bonds (distance) C4'-P energy: -171.523 bonds (distance) P-C4' energy: -168.027 flat angles C4'-P-C4' energy: -143.165 flat angles P-C4'-P energy: -74.479 tors. eta vs tors. theta energy: -48.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1067.870472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.870472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.870472 (E_RNA) where: Base-Base interactions energy: -504.517 where: short stacking energy: -307.257 Base-Backbone interact. energy: -1.669 local terms energy: -561.684192 where: bonds (distance) C4'-P energy: -164.634 bonds (distance) P-C4' energy: -152.876 flat angles C4'-P-C4' energy: -142.035 flat angles P-C4'-P energy: -97.430 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -853.881332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.881332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.881332 (E_RNA) where: Base-Base interactions energy: -375.637 where: short stacking energy: -247.438 Base-Backbone interact. energy: 3.295 local terms energy: -481.539509 where: bonds (distance) C4'-P energy: -126.279 bonds (distance) P-C4' energy: -157.922 flat angles C4'-P-C4' energy: -139.117 flat angles P-C4'-P energy: -78.092 tors. eta vs tors. theta energy: 19.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -702.437293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.437293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.437293 (E_RNA) where: Base-Base interactions energy: -253.041 where: short stacking energy: -195.750 Base-Backbone interact. energy: 13.949 local terms energy: -463.345152 where: bonds (distance) C4'-P energy: -162.670 bonds (distance) P-C4' energy: -180.642 flat angles C4'-P-C4' energy: -105.348 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: 29.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2655.444865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.444865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.444865 (E_RNA) where: Base-Base interactions energy: -1758.719 where: short stacking energy: -803.437 Base-Backbone interact. energy: -1.607 local terms energy: -895.118600 where: bonds (distance) C4'-P energy: -175.143 bonds (distance) P-C4' energy: -189.003 flat angles C4'-P-C4' energy: -185.563 flat angles P-C4'-P energy: -132.433 tors. eta vs tors. theta energy: -212.976 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: 56 Temperature: 0.950000 Total energy: -2476.657993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.657993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.657993 (E_RNA) where: Base-Base interactions energy: -1598.724 where: short stacking energy: -728.602 Base-Backbone interact. energy: 4.983 local terms energy: -882.916734 where: bonds (distance) C4'-P energy: -171.506 bonds (distance) P-C4' energy: -176.647 flat angles C4'-P-C4' energy: -197.371 flat angles P-C4'-P energy: -133.930 tors. eta vs tors. theta energy: -203.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2385.970478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.970478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.970478 (E_RNA) where: Base-Base interactions energy: -1564.413 where: short stacking energy: -691.908 Base-Backbone interact. energy: 2.588 local terms energy: -824.145464 where: bonds (distance) C4'-P energy: -167.560 bonds (distance) P-C4' energy: -167.811 flat angles C4'-P-C4' energy: -181.182 flat angles P-C4'-P energy: -122.720 tors. eta vs tors. theta energy: -184.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2122.484560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.484560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.484560 (E_RNA) where: Base-Base interactions energy: -1370.814 where: short stacking energy: -657.961 Base-Backbone interact. energy: -3.634 local terms energy: -748.036204 where: bonds (distance) C4'-P energy: -164.310 bonds (distance) P-C4' energy: -151.468 flat angles C4'-P-C4' energy: -179.124 flat angles P-C4'-P energy: -107.478 tors. eta vs tors. theta energy: -145.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1969.840335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.840335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.840335 (E_RNA) where: Base-Base interactions energy: -1215.636 where: short stacking energy: -577.549 Base-Backbone interact. energy: -2.606 local terms energy: -751.598128 where: bonds (distance) C4'-P energy: -161.879 bonds (distance) P-C4' energy: -178.198 flat angles C4'-P-C4' energy: -174.353 flat angles P-C4'-P energy: -96.249 tors. eta vs tors. theta energy: -140.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1702.274365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.274365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.274365 (E_RNA) where: Base-Base interactions energy: -1021.820 where: short stacking energy: -489.207 Base-Backbone interact. energy: -1.071 local terms energy: -679.383239 where: bonds (distance) C4'-P energy: -160.934 bonds (distance) P-C4' energy: -166.450 flat angles C4'-P-C4' energy: -172.808 flat angles P-C4'-P energy: -94.208 tors. eta vs tors. theta energy: -84.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1364.795188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.795188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.795188 (E_RNA) where: Base-Base interactions energy: -725.720 where: short stacking energy: -368.375 Base-Backbone interact. energy: 2.652 local terms energy: -641.727383 where: bonds (distance) C4'-P energy: -168.078 bonds (distance) P-C4' energy: -196.935 flat angles C4'-P-C4' energy: -140.018 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -50.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1095.828148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.828148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.828148 (E_RNA) where: Base-Base interactions energy: -563.432 where: short stacking energy: -289.457 Base-Backbone interact. energy: -1.136 local terms energy: -531.259836 where: bonds (distance) C4'-P energy: -147.408 bonds (distance) P-C4' energy: -155.930 flat angles C4'-P-C4' energy: -132.894 flat angles P-C4'-P energy: -86.278 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -863.680906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.680906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.680906 (E_RNA) where: Base-Base interactions energy: -376.143 where: short stacking energy: -260.008 Base-Backbone interact. energy: -4.618 local terms energy: -482.919595 where: bonds (distance) C4'-P energy: -133.782 bonds (distance) P-C4' energy: -148.194 flat angles C4'-P-C4' energy: -140.759 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: 3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -651.431099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.431099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.431099 (E_RNA) where: Base-Base interactions energy: -230.442 where: short stacking energy: -179.259 Base-Backbone interact. energy: 3.563 local terms energy: -424.552837 where: bonds (distance) C4'-P energy: -146.995 bonds (distance) P-C4' energy: -157.578 flat angles C4'-P-C4' energy: -130.494 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: 50.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2642.791698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.791698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.791698 (E_RNA) where: Base-Base interactions energy: -1760.118 where: short stacking energy: -772.925 Base-Backbone interact. energy: -4.554 local terms energy: -878.119511 where: bonds (distance) C4'-P energy: -168.236 bonds (distance) P-C4' energy: -180.270 flat angles C4'-P-C4' energy: -196.838 flat angles P-C4'-P energy: -135.870 tors. eta vs tors. theta energy: -196.907 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: 57 Temperature: 0.950000 Total energy: -2544.578579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.578579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.578579 (E_RNA) where: Base-Base interactions energy: -1701.852 where: short stacking energy: -741.549 Base-Backbone interact. energy: -0.671 local terms energy: -842.056036 where: bonds (distance) C4'-P energy: -154.034 bonds (distance) P-C4' energy: -180.838 flat angles C4'-P-C4' energy: -194.543 flat angles P-C4'-P energy: -118.264 tors. eta vs tors. theta energy: -194.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2356.869555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.869555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.869555 (E_RNA) where: Base-Base interactions energy: -1529.162 where: short stacking energy: -715.923 Base-Backbone interact. energy: -1.075 local terms energy: -826.632855 where: bonds (distance) C4'-P energy: -166.962 bonds (distance) P-C4' energy: -172.849 flat angles C4'-P-C4' energy: -183.180 flat angles P-C4'-P energy: -126.599 tors. eta vs tors. theta energy: -177.043 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: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2138.465478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.465478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.465478 (E_RNA) where: Base-Base interactions energy: -1360.652 where: short stacking energy: -600.722 Base-Backbone interact. energy: -5.165 local terms energy: -772.647864 where: bonds (distance) C4'-P energy: -166.898 bonds (distance) P-C4' energy: -178.998 flat angles C4'-P-C4' energy: -176.899 flat angles P-C4'-P energy: -112.752 tors. eta vs tors. theta energy: -137.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2018.828584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.828584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.828584 (E_RNA) where: Base-Base interactions energy: -1251.374 where: short stacking energy: -603.727 Base-Backbone interact. energy: -0.319 local terms energy: -767.135262 where: bonds (distance) C4'-P energy: -166.117 bonds (distance) P-C4' energy: -178.361 flat angles C4'-P-C4' energy: -165.213 flat angles P-C4'-P energy: -93.784 tors. eta vs tors. theta energy: -163.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1711.370507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.370507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.370507 (E_RNA) where: Base-Base interactions energy: -1050.467 where: short stacking energy: -487.135 Base-Backbone interact. energy: 0.464 local terms energy: -661.368022 where: bonds (distance) C4'-P energy: -159.084 bonds (distance) P-C4' energy: -156.893 flat angles C4'-P-C4' energy: -169.063 flat angles P-C4'-P energy: -80.932 tors. eta vs tors. theta energy: -95.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1383.714534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.714534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.714534 (E_RNA) where: Base-Base interactions energy: -783.915 where: short stacking energy: -419.398 Base-Backbone interact. energy: 2.724 local terms energy: -602.524426 where: bonds (distance) C4'-P energy: -159.928 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -138.198 flat angles P-C4'-P energy: -105.441 tors. eta vs tors. theta energy: -41.463 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: 57 Temperature: 1.250000 Total energy: -1130.560143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.560143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.560143 (E_RNA) where: Base-Base interactions energy: -585.209 where: short stacking energy: -353.188 Base-Backbone interact. energy: -0.061 local terms energy: -545.290920 where: bonds (distance) C4'-P energy: -154.169 bonds (distance) P-C4' energy: -142.677 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -79.385 tors. eta vs tors. theta energy: -38.754 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: 57 Temperature: 1.300000 Total energy: -960.351771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.351771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.351771 (E_RNA) where: Base-Base interactions energy: -466.772 where: short stacking energy: -264.893 Base-Backbone interact. energy: -2.291 local terms energy: -491.288419 where: bonds (distance) C4'-P energy: -135.887 bonds (distance) P-C4' energy: -157.501 flat angles C4'-P-C4' energy: -135.298 flat angles P-C4'-P energy: -70.218 tors. eta vs tors. theta energy: 7.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -697.409431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.409431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.409431 (E_RNA) where: Base-Base interactions energy: -268.170 where: short stacking energy: -212.722 Base-Backbone interact. energy: 0.528 local terms energy: -429.767450 where: bonds (distance) C4'-P energy: -115.928 bonds (distance) P-C4' energy: -160.792 flat angles C4'-P-C4' energy: -116.175 flat angles P-C4'-P energy: -56.098 tors. eta vs tors. theta energy: 19.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2656.875646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.875646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.875646 (E_RNA) where: Base-Base interactions energy: -1761.825 where: short stacking energy: -801.274 Base-Backbone interact. energy: -4.366 local terms energy: -890.684424 where: bonds (distance) C4'-P energy: -179.219 bonds (distance) P-C4' energy: -192.448 flat angles C4'-P-C4' energy: -196.132 flat angles P-C4'-P energy: -126.203 tors. eta vs tors. theta energy: -196.682 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: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2523.325586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.325586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.325586 (E_RNA) where: Base-Base interactions energy: -1639.189 where: short stacking energy: -758.124 Base-Backbone interact. energy: -4.001 local terms energy: -880.135813 where: bonds (distance) C4'-P energy: -185.829 bonds (distance) P-C4' energy: -179.836 flat angles C4'-P-C4' energy: -184.674 flat angles P-C4'-P energy: -116.547 tors. eta vs tors. theta energy: -213.250 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: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2362.687864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.687864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.687864 (E_RNA) where: Base-Base interactions energy: -1513.946 where: short stacking energy: -692.941 Base-Backbone interact. energy: -1.582 local terms energy: -847.159513 where: bonds (distance) C4'-P energy: -165.542 bonds (distance) P-C4' energy: -185.798 flat angles C4'-P-C4' energy: -207.545 flat angles P-C4'-P energy: -102.602 tors. eta vs tors. theta energy: -185.672 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: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2136.132026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.132026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.132026 (E_RNA) where: Base-Base interactions energy: -1353.161 where: short stacking energy: -632.919 Base-Backbone interact. energy: -0.671 local terms energy: -782.300083 where: bonds (distance) C4'-P energy: -151.423 bonds (distance) P-C4' energy: -166.193 flat angles C4'-P-C4' energy: -183.852 flat angles P-C4'-P energy: -118.218 tors. eta vs tors. theta energy: -162.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1996.480968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.480968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.480968 (E_RNA) where: Base-Base interactions energy: -1261.066 where: short stacking energy: -582.071 Base-Backbone interact. energy: -3.286 local terms energy: -732.128835 where: bonds (distance) C4'-P energy: -158.353 bonds (distance) P-C4' energy: -170.621 flat angles C4'-P-C4' energy: -178.967 flat angles P-C4'-P energy: -106.507 tors. eta vs tors. theta energy: -117.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1714.391479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.391479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.391479 (E_RNA) where: Base-Base interactions energy: -1018.697 where: short stacking energy: -497.028 Base-Backbone interact. energy: -2.660 local terms energy: -693.034515 where: bonds (distance) C4'-P energy: -164.928 bonds (distance) P-C4' energy: -174.985 flat angles C4'-P-C4' energy: -163.187 flat angles P-C4'-P energy: -88.311 tors. eta vs tors. theta energy: -101.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1384.134347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.134347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.134347 (E_RNA) where: Base-Base interactions energy: -772.998 where: short stacking energy: -368.468 Base-Backbone interact. energy: -3.031 local terms energy: -608.104439 where: bonds (distance) C4'-P energy: -141.104 bonds (distance) P-C4' energy: -165.409 flat angles C4'-P-C4' energy: -150.956 flat angles P-C4'-P energy: -101.058 tors. eta vs tors. theta energy: -49.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1125.067292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.067292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.067292 (E_RNA) where: Base-Base interactions energy: -585.058 where: short stacking energy: -345.515 Base-Backbone interact. energy: 4.324 local terms energy: -544.332672 where: bonds (distance) C4'-P energy: -157.416 bonds (distance) P-C4' energy: -160.640 flat angles C4'-P-C4' energy: -142.575 flat angles P-C4'-P energy: -73.064 tors. eta vs tors. theta energy: -10.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -888.172773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.172773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.172773 (E_RNA) where: Base-Base interactions energy: -403.636 where: short stacking energy: -262.055 Base-Backbone interact. energy: 3.718 local terms energy: -488.254692 where: bonds (distance) C4'-P energy: -155.988 bonds (distance) P-C4' energy: -156.566 flat angles C4'-P-C4' energy: -122.619 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: 23.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -674.011223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.011223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.011223 (E_RNA) where: Base-Base interactions energy: -263.104 where: short stacking energy: -198.185 Base-Backbone interact. energy: 3.293 local terms energy: -414.200267 where: bonds (distance) C4'-P energy: -125.349 bonds (distance) P-C4' energy: -147.846 flat angles C4'-P-C4' energy: -104.820 flat angles P-C4'-P energy: -64.804 tors. eta vs tors. theta energy: 28.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2701.255429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.255429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.255429 (E_RNA) where: Base-Base interactions energy: -1805.633 where: short stacking energy: -819.928 Base-Backbone interact. energy: 0.120 local terms energy: -895.741908 where: bonds (distance) C4'-P energy: -171.091 bonds (distance) P-C4' energy: -176.785 flat angles C4'-P-C4' energy: -201.738 flat angles P-C4'-P energy: -137.983 tors. eta vs tors. theta energy: -208.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2532.946870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.946870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.946870 (E_RNA) where: Base-Base interactions energy: -1626.678 where: short stacking energy: -760.436 Base-Backbone interact. energy: -2.299 local terms energy: -903.970019 where: bonds (distance) C4'-P energy: -178.857 bonds (distance) P-C4' energy: -170.270 flat angles C4'-P-C4' energy: -211.103 flat angles P-C4'-P energy: -125.688 tors. eta vs tors. theta energy: -218.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2462.491889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.491889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.491889 (E_RNA) where: Base-Base interactions energy: -1633.142 where: short stacking energy: -767.004 Base-Backbone interact. energy: 3.244 local terms energy: -832.593857 where: bonds (distance) C4'-P energy: -161.113 bonds (distance) P-C4' energy: -183.135 flat angles C4'-P-C4' energy: -184.091 flat angles P-C4'-P energy: -114.403 tors. eta vs tors. theta energy: -189.851 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: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2132.746501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.746501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.746501 (E_RNA) where: Base-Base interactions energy: -1398.739 where: short stacking energy: -611.509 Base-Backbone interact. energy: -0.343 local terms energy: -733.664752 where: bonds (distance) C4'-P energy: -147.444 bonds (distance) P-C4' energy: -171.638 flat angles C4'-P-C4' energy: -175.720 flat angles P-C4'-P energy: -117.292 tors. eta vs tors. theta energy: -121.570 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: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2046.500194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.500194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.500194 (E_RNA) where: Base-Base interactions energy: -1348.769 where: short stacking energy: -615.481 Base-Backbone interact. energy: 1.310 local terms energy: -699.041124 where: bonds (distance) C4'-P energy: -163.205 bonds (distance) P-C4' energy: -159.522 flat angles C4'-P-C4' energy: -174.640 flat angles P-C4'-P energy: -74.470 tors. eta vs tors. theta energy: -127.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1660.912142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.912142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.912142 (E_RNA) where: Base-Base interactions energy: -979.666 where: short stacking energy: -472.943 Base-Backbone interact. energy: 1.371 local terms energy: -682.617174 where: bonds (distance) C4'-P energy: -150.814 bonds (distance) P-C4' energy: -170.932 flat angles C4'-P-C4' energy: -152.654 flat angles P-C4'-P energy: -103.759 tors. eta vs tors. theta energy: -104.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1382.134527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.134527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.134527 (E_RNA) where: Base-Base interactions energy: -778.647 where: short stacking energy: -413.787 Base-Backbone interact. energy: 2.243 local terms energy: -605.729753 where: bonds (distance) C4'-P energy: -142.722 bonds (distance) P-C4' energy: -171.539 flat angles C4'-P-C4' energy: -131.956 flat angles P-C4'-P energy: -100.360 tors. eta vs tors. theta energy: -59.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1150.552289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.552289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.552289 (E_RNA) where: Base-Base interactions energy: -563.669 where: short stacking energy: -314.569 Base-Backbone interact. energy: -2.270 local terms energy: -584.613115 where: bonds (distance) C4'-P energy: -155.056 bonds (distance) P-C4' energy: -149.583 flat angles C4'-P-C4' energy: -153.356 flat angles P-C4'-P energy: -93.521 tors. eta vs tors. theta energy: -33.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -981.823506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.823506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.823506 (E_RNA) where: Base-Base interactions energy: -469.115 where: short stacking energy: -288.996 Base-Backbone interact. energy: -3.199 local terms energy: -509.508699 where: bonds (distance) C4'-P energy: -154.601 bonds (distance) P-C4' energy: -159.743 flat angles C4'-P-C4' energy: -131.239 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: 0.321 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: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -689.613794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.613794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.613794 (E_RNA) where: Base-Base interactions energy: -226.599 where: short stacking energy: -171.655 Base-Backbone interact. energy: 3.680 local terms energy: -466.694912 where: bonds (distance) C4'-P energy: -134.060 bonds (distance) P-C4' energy: -155.024 flat angles C4'-P-C4' energy: -145.717 flat angles P-C4'-P energy: -62.592 tors. eta vs tors. theta energy: 30.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2701.891290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.891290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.891290 (E_RNA) where: Base-Base interactions energy: -1810.615 where: short stacking energy: -808.359 Base-Backbone interact. energy: -3.088 local terms energy: -888.187777 where: bonds (distance) C4'-P energy: -180.056 bonds (distance) P-C4' energy: -189.158 flat angles C4'-P-C4' energy: -193.091 flat angles P-C4'-P energy: -119.409 tors. eta vs tors. theta energy: -206.475 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: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2530.348574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.348574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.348574 (E_RNA) where: Base-Base interactions energy: -1657.082 where: short stacking energy: -746.202 Base-Backbone interact. energy: -3.823 local terms energy: -869.443640 where: bonds (distance) C4'-P energy: -165.286 bonds (distance) P-C4' energy: -190.011 flat angles C4'-P-C4' energy: -184.495 flat angles P-C4'-P energy: -123.635 tors. eta vs tors. theta energy: -206.016 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: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2405.821461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.821461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.821461 (E_RNA) where: Base-Base interactions energy: -1598.971 where: short stacking energy: -718.805 Base-Backbone interact. energy: -1.776 local terms energy: -805.075012 where: bonds (distance) C4'-P energy: -169.207 bonds (distance) P-C4' energy: -157.487 flat angles C4'-P-C4' energy: -177.649 flat angles P-C4'-P energy: -120.943 tors. eta vs tors. theta energy: -179.789 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: 60 Temperature: 1.050000 Total energy: -2147.410597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.410597 (E_RNA) where: Base-Base interactions energy: -1345.608 where: short stacking energy: -617.323 Base-Backbone interact. energy: 2.624 local terms energy: -804.426042 where: bonds (distance) C4'-P energy: -161.013 bonds (distance) P-C4' energy: -188.348 flat angles C4'-P-C4' energy: -186.603 flat angles P-C4'-P energy: -111.425 tors. eta vs tors. theta energy: -157.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1998.921747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.921747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.921747 (E_RNA) where: Base-Base interactions energy: -1282.580 where: short stacking energy: -618.316 Base-Backbone interact. energy: -4.025 local terms energy: -712.317503 where: bonds (distance) C4'-P energy: -156.135 bonds (distance) P-C4' energy: -154.182 flat angles C4'-P-C4' energy: -172.406 flat angles P-C4'-P energy: -95.347 tors. eta vs tors. theta energy: -134.248 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: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1621.607325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.607325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.607325 (E_RNA) where: Base-Base interactions energy: -956.293 where: short stacking energy: -475.398 Base-Backbone interact. energy: 0.185 local terms energy: -665.499089 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -166.490 flat angles C4'-P-C4' energy: -169.525 flat angles P-C4'-P energy: -102.953 tors. eta vs tors. theta energy: -80.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1289.152089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.152089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.152089 (E_RNA) where: Base-Base interactions energy: -687.488 where: short stacking energy: -378.449 Base-Backbone interact. energy: -2.113 local terms energy: -599.550900 where: bonds (distance) C4'-P energy: -140.852 bonds (distance) P-C4' energy: -169.763 flat angles C4'-P-C4' energy: -148.973 flat angles P-C4'-P energy: -97.961 tors. eta vs tors. theta energy: -42.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1142.467852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.467852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.467852 (E_RNA) where: Base-Base interactions energy: -587.374 where: short stacking energy: -320.211 Base-Backbone interact. energy: -1.993 local terms energy: -553.100942 where: bonds (distance) C4'-P energy: -130.952 bonds (distance) P-C4' energy: -166.718 flat angles C4'-P-C4' energy: -157.782 flat angles P-C4'-P energy: -89.758 tors. eta vs tors. theta energy: -7.891 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: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -919.237219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.237219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.237219 (E_RNA) where: Base-Base interactions energy: -407.803 where: short stacking energy: -232.143 Base-Backbone interact. energy: 14.227 local terms energy: -525.660930 where: bonds (distance) C4'-P energy: -156.483 bonds (distance) P-C4' energy: -149.432 flat angles C4'-P-C4' energy: -132.998 flat angles P-C4'-P energy: -91.662 tors. eta vs tors. theta energy: 4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -698.089695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.089695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.089695 (E_RNA) where: Base-Base interactions energy: -214.564 where: short stacking energy: -193.179 Base-Backbone interact. energy: 10.165 local terms energy: -493.690730 where: bonds (distance) C4'-P energy: -154.999 bonds (distance) P-C4' energy: -164.524 flat angles C4'-P-C4' energy: -133.606 flat angles P-C4'-P energy: -81.904 tors. eta vs tors. theta energy: 41.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2718.402053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.402053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.402053 (E_RNA) where: Base-Base interactions energy: -1792.709 where: short stacking energy: -794.627 Base-Backbone interact. energy: 1.082 local terms energy: -926.774655 where: bonds (distance) C4'-P energy: -188.383 bonds (distance) P-C4' energy: -186.347 flat angles C4'-P-C4' energy: -208.378 flat angles P-C4'-P energy: -133.055 tors. eta vs tors. theta energy: -210.612 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: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2555.204001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.204001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.204001 (E_RNA) where: Base-Base interactions energy: -1660.283 where: short stacking energy: -761.220 Base-Backbone interact. energy: -3.194 local terms energy: -891.726215 where: bonds (distance) C4'-P energy: -179.341 bonds (distance) P-C4' energy: -178.655 flat angles C4'-P-C4' energy: -187.593 flat angles P-C4'-P energy: -132.381 tors. eta vs tors. theta energy: -213.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2357.041269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.041269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.041269 (E_RNA) where: Base-Base interactions energy: -1539.057 where: short stacking energy: -714.332 Base-Backbone interact. energy: 0.983 local terms energy: -818.966961 where: bonds (distance) C4'-P energy: -170.330 bonds (distance) P-C4' energy: -163.460 flat angles C4'-P-C4' energy: -184.669 flat angles P-C4'-P energy: -116.856 tors. eta vs tors. theta energy: -183.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2144.901360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.901360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.901360 (E_RNA) where: Base-Base interactions energy: -1373.810 where: short stacking energy: -622.315 Base-Backbone interact. energy: -2.286 local terms energy: -768.805379 where: bonds (distance) C4'-P energy: -164.426 bonds (distance) P-C4' energy: -167.140 flat angles C4'-P-C4' energy: -180.548 flat angles P-C4'-P energy: -112.092 tors. eta vs tors. theta energy: -144.599 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: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2010.352922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.352922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.352922 (E_RNA) where: Base-Base interactions energy: -1270.131 where: short stacking energy: -625.560 Base-Backbone interact. energy: -1.875 local terms energy: -738.346108 where: bonds (distance) C4'-P energy: -141.055 bonds (distance) P-C4' energy: -151.304 flat angles C4'-P-C4' energy: -178.194 flat angles P-C4'-P energy: -100.960 tors. eta vs tors. theta energy: -166.832 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: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1621.807249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.807249 (E_RNA) where: Base-Base interactions energy: -932.864 where: short stacking energy: -462.055 Base-Backbone interact. energy: 1.669 local terms energy: -690.611662 where: bonds (distance) C4'-P energy: -163.824 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -179.924 flat angles P-C4'-P energy: -99.072 tors. eta vs tors. theta energy: -90.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1339.237633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.237633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.237633 (E_RNA) where: Base-Base interactions energy: -771.608 where: short stacking energy: -402.224 Base-Backbone interact. energy: -2.757 local terms energy: -564.872729 where: bonds (distance) C4'-P energy: -140.375 bonds (distance) P-C4' energy: -153.230 flat angles C4'-P-C4' energy: -152.292 flat angles P-C4'-P energy: -56.845 tors. eta vs tors. theta energy: -62.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1205.862439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.862439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.862439 (E_RNA) where: Base-Base interactions energy: -656.092 where: short stacking energy: -358.365 Base-Backbone interact. energy: -2.028 local terms energy: -547.742714 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -168.882 flat angles C4'-P-C4' energy: -155.822 flat angles P-C4'-P energy: -57.393 tors. eta vs tors. theta energy: -32.620 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: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -912.669975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.669975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.669975 (E_RNA) where: Base-Base interactions energy: -429.013 where: short stacking energy: -245.472 Base-Backbone interact. energy: -4.778 local terms energy: -478.879201 where: bonds (distance) C4'-P energy: -133.104 bonds (distance) P-C4' energy: -155.648 flat angles C4'-P-C4' energy: -105.496 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: 2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -699.169707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.169707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.169707 (E_RNA) where: Base-Base interactions energy: -255.037 where: short stacking energy: -181.794 Base-Backbone interact. energy: 5.063 local terms energy: -449.195655 where: bonds (distance) C4'-P energy: -149.286 bonds (distance) P-C4' energy: -154.322 flat angles C4'-P-C4' energy: -118.072 flat angles P-C4'-P energy: -58.330 tors. eta vs tors. theta energy: 30.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2725.899215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.899215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.899215 (E_RNA) where: Base-Base interactions energy: -1810.708 where: short stacking energy: -792.904 Base-Backbone interact. energy: -2.322 local terms energy: -912.869177 where: bonds (distance) C4'-P energy: -186.887 bonds (distance) P-C4' energy: -189.515 flat angles C4'-P-C4' energy: -196.852 flat angles P-C4'-P energy: -125.043 tors. eta vs tors. theta energy: -214.572 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: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2585.536232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.536232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.536232 (E_RNA) where: Base-Base interactions energy: -1684.939 where: short stacking energy: -774.658 Base-Backbone interact. energy: -2.605 local terms energy: -897.992354 where: bonds (distance) C4'-P energy: -180.799 bonds (distance) P-C4' energy: -178.006 flat angles C4'-P-C4' energy: -196.549 flat angles P-C4'-P energy: -123.108 tors. eta vs tors. theta energy: -219.531 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: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2363.374222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.374222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.374222 (E_RNA) where: Base-Base interactions energy: -1494.983 where: short stacking energy: -711.072 Base-Backbone interact. energy: -0.392 local terms energy: -867.999419 where: bonds (distance) C4'-P energy: -172.876 bonds (distance) P-C4' energy: -170.000 flat angles C4'-P-C4' energy: -205.706 flat angles P-C4'-P energy: -136.500 tors. eta vs tors. theta energy: -182.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2121.987897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.987897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.987897 (E_RNA) where: Base-Base interactions energy: -1344.654 where: short stacking energy: -642.757 Base-Backbone interact. energy: 0.598 local terms energy: -777.931850 where: bonds (distance) C4'-P energy: -169.397 bonds (distance) P-C4' energy: -176.234 flat angles C4'-P-C4' energy: -158.227 flat angles P-C4'-P energy: -116.190 tors. eta vs tors. theta energy: -157.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2072.853892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.853892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.853892 (E_RNA) where: Base-Base interactions energy: -1324.902 where: short stacking energy: -642.818 Base-Backbone interact. energy: -0.586 local terms energy: -747.366040 where: bonds (distance) C4'-P energy: -138.762 bonds (distance) P-C4' energy: -146.782 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -127.412 tors. eta vs tors. theta energy: -145.927 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: 62 Temperature: 1.150000 Total energy: -1685.885232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.885232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.885232 (E_RNA) where: Base-Base interactions energy: -1026.984 where: short stacking energy: -538.061 Base-Backbone interact. energy: 2.505 local terms energy: -661.407095 where: bonds (distance) C4'-P energy: -135.530 bonds (distance) P-C4' energy: -153.753 flat angles C4'-P-C4' energy: -142.180 flat angles P-C4'-P energy: -109.620 tors. eta vs tors. theta energy: -120.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1355.057150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.057150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.057150 (E_RNA) where: Base-Base interactions energy: -719.481 where: short stacking energy: -430.719 Base-Backbone interact. energy: -2.461 local terms energy: -633.115030 where: bonds (distance) C4'-P energy: -140.831 bonds (distance) P-C4' energy: -170.976 flat angles C4'-P-C4' energy: -147.973 flat angles P-C4'-P energy: -101.527 tors. eta vs tors. theta energy: -71.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1154.834465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.834465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.834465 (E_RNA) where: Base-Base interactions energy: -579.704 where: short stacking energy: -298.167 Base-Backbone interact. energy: -2.138 local terms energy: -572.992846 where: bonds (distance) C4'-P energy: -160.988 bonds (distance) P-C4' energy: -174.009 flat angles C4'-P-C4' energy: -140.933 flat angles P-C4'-P energy: -74.534 tors. eta vs tors. theta energy: -22.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -885.224951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.224951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.224951 (E_RNA) where: Base-Base interactions energy: -398.727 where: short stacking energy: -251.799 Base-Backbone interact. energy: 0.644 local terms energy: -487.141059 where: bonds (distance) C4'-P energy: -141.063 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -111.194 flat angles P-C4'-P energy: -91.510 tors. eta vs tors. theta energy: 7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -721.968069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.968069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.968069 (E_RNA) where: Base-Base interactions energy: -277.477 where: short stacking energy: -210.294 Base-Backbone interact. energy: 2.552 local terms energy: -447.043531 where: bonds (distance) C4'-P energy: -136.443 bonds (distance) P-C4' energy: -156.370 flat angles C4'-P-C4' energy: -121.483 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: 21.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2761.205494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.205494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.205494 (E_RNA) where: Base-Base interactions energy: -1830.496 where: short stacking energy: -824.422 Base-Backbone interact. energy: -1.915 local terms energy: -928.793972 where: bonds (distance) C4'-P energy: -169.601 bonds (distance) P-C4' energy: -201.324 flat angles C4'-P-C4' energy: -207.311 flat angles P-C4'-P energy: -126.272 tors. eta vs tors. theta energy: -224.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2550.560994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.560994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.560994 (E_RNA) where: Base-Base interactions energy: -1676.152 where: short stacking energy: -775.871 Base-Backbone interact. energy: 3.788 local terms energy: -878.196176 where: bonds (distance) C4'-P energy: -162.706 bonds (distance) P-C4' energy: -189.748 flat angles C4'-P-C4' energy: -194.029 flat angles P-C4'-P energy: -109.584 tors. eta vs tors. theta energy: -222.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2363.725377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.725377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.725377 (E_RNA) where: Base-Base interactions energy: -1520.620 where: short stacking energy: -714.973 Base-Backbone interact. energy: -0.843 local terms energy: -842.262614 where: bonds (distance) C4'-P energy: -161.427 bonds (distance) P-C4' energy: -186.737 flat angles C4'-P-C4' energy: -191.920 flat angles P-C4'-P energy: -114.946 tors. eta vs tors. theta energy: -187.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2188.807565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.807565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.807565 (E_RNA) where: Base-Base interactions energy: -1377.292 where: short stacking energy: -638.157 Base-Backbone interact. energy: 1.972 local terms energy: -813.487412 where: bonds (distance) C4'-P energy: -171.992 bonds (distance) P-C4' energy: -165.703 flat angles C4'-P-C4' energy: -183.348 flat angles P-C4'-P energy: -131.425 tors. eta vs tors. theta energy: -161.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2036.962655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.962655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.962655 (E_RNA) where: Base-Base interactions energy: -1265.785 where: short stacking energy: -615.166 Base-Backbone interact. energy: -1.445 local terms energy: -769.732165 where: bonds (distance) C4'-P energy: -162.870 bonds (distance) P-C4' energy: -173.230 flat angles C4'-P-C4' energy: -182.663 flat angles P-C4'-P energy: -90.617 tors. eta vs tors. theta energy: -160.351 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: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1671.630696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.630696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.630696 (E_RNA) where: Base-Base interactions energy: -1013.139 where: short stacking energy: -473.885 Base-Backbone interact. energy: 0.586 local terms energy: -659.077748 where: bonds (distance) C4'-P energy: -138.967 bonds (distance) P-C4' energy: -162.174 flat angles C4'-P-C4' energy: -162.985 flat angles P-C4'-P energy: -99.352 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: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1403.496767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.496767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.496767 (E_RNA) where: Base-Base interactions energy: -753.182 where: short stacking energy: -440.145 Base-Backbone interact. energy: -4.533 local terms energy: -645.781856 where: bonds (distance) C4'-P energy: -142.468 bonds (distance) P-C4' energy: -164.365 flat angles C4'-P-C4' energy: -166.107 flat angles P-C4'-P energy: -103.217 tors. eta vs tors. theta energy: -69.626 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: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1230.397272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.397272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.397272 (E_RNA) where: Base-Base interactions energy: -646.013 where: short stacking energy: -343.998 Base-Backbone interact. energy: 3.994 local terms energy: -588.377858 where: bonds (distance) C4'-P energy: -153.332 bonds (distance) P-C4' energy: -152.523 flat angles C4'-P-C4' energy: -151.809 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -45.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -876.861504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.861504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.861504 (E_RNA) where: Base-Base interactions energy: -402.833 where: short stacking energy: -253.554 Base-Backbone interact. energy: 1.748 local terms energy: -475.775992 where: bonds (distance) C4'-P energy: -129.827 bonds (distance) P-C4' energy: -151.811 flat angles C4'-P-C4' energy: -110.565 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: 7.761 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: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -764.713378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.713378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.713378 (E_RNA) where: Base-Base interactions energy: -326.984 where: short stacking energy: -189.858 Base-Backbone interact. energy: 8.091 local terms energy: -445.820408 where: bonds (distance) C4'-P energy: -150.395 bonds (distance) P-C4' energy: -149.954 flat angles C4'-P-C4' energy: -122.717 flat angles P-C4'-P energy: -75.167 tors. eta vs tors. theta energy: 52.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2746.905644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.905644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.905644 (E_RNA) where: Base-Base interactions energy: -1806.169 where: short stacking energy: -797.178 Base-Backbone interact. energy: -2.390 local terms energy: -938.346640 where: bonds (distance) C4'-P energy: -182.741 bonds (distance) P-C4' energy: -196.411 flat angles C4'-P-C4' energy: -201.341 flat angles P-C4'-P energy: -130.665 tors. eta vs tors. theta energy: -227.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2542.319052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.319052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.319052 (E_RNA) where: Base-Base interactions energy: -1653.306 where: short stacking energy: -758.577 Base-Backbone interact. energy: -3.566 local terms energy: -885.446580 where: bonds (distance) C4'-P energy: -188.068 bonds (distance) P-C4' energy: -173.855 flat angles C4'-P-C4' energy: -191.787 flat angles P-C4'-P energy: -111.357 tors. eta vs tors. theta energy: -220.381 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: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2390.436010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.436010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.436010 (E_RNA) where: Base-Base interactions energy: -1535.196 where: short stacking energy: -716.003 Base-Backbone interact. energy: -3.023 local terms energy: -852.217683 where: bonds (distance) C4'-P energy: -171.860 bonds (distance) P-C4' energy: -187.041 flat angles C4'-P-C4' energy: -199.144 flat angles P-C4'-P energy: -115.686 tors. eta vs tors. theta energy: -178.486 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: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2133.566561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.566561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.566561 (E_RNA) where: Base-Base interactions energy: -1340.831 where: short stacking energy: -638.083 Base-Backbone interact. energy: 1.883 local terms energy: -794.619449 where: bonds (distance) C4'-P energy: -165.003 bonds (distance) P-C4' energy: -169.414 flat angles C4'-P-C4' energy: -184.084 flat angles P-C4'-P energy: -118.514 tors. eta vs tors. theta energy: -157.603 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: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2020.227559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.227559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.227559 (E_RNA) where: Base-Base interactions energy: -1273.731 where: short stacking energy: -622.472 Base-Backbone interact. energy: -2.071 local terms energy: -744.425409 where: bonds (distance) C4'-P energy: -153.673 bonds (distance) P-C4' energy: -157.989 flat angles C4'-P-C4' energy: -179.422 flat angles P-C4'-P energy: -114.483 tors. eta vs tors. theta energy: -138.858 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: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1669.459917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.459917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.459917 (E_RNA) where: Base-Base interactions energy: -1032.943 where: short stacking energy: -529.514 Base-Backbone interact. energy: 2.531 local terms energy: -639.048582 where: bonds (distance) C4'-P energy: -157.868 bonds (distance) P-C4' energy: -143.960 flat angles C4'-P-C4' energy: -151.814 flat angles P-C4'-P energy: -90.072 tors. eta vs tors. theta energy: -95.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1371.669676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.669676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.669676 (E_RNA) where: Base-Base interactions energy: -739.330 where: short stacking energy: -404.251 Base-Backbone interact. energy: -1.203 local terms energy: -631.135971 where: bonds (distance) C4'-P energy: -158.152 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -162.624 flat angles P-C4'-P energy: -89.463 tors. eta vs tors. theta energy: -52.247 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: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1185.819179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.819179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.819179 (E_RNA) where: Base-Base interactions energy: -620.468 where: short stacking energy: -304.735 Base-Backbone interact. energy: 4.464 local terms energy: -569.814786 where: bonds (distance) C4'-P energy: -151.560 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -147.985 flat angles P-C4'-P energy: -98.482 tors. eta vs tors. theta energy: -23.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -882.531930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.531930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.531930 (E_RNA) where: Base-Base interactions energy: -409.101 where: short stacking energy: -238.064 Base-Backbone interact. energy: -2.800 local terms energy: -470.630984 where: bonds (distance) C4'-P energy: -138.391 bonds (distance) P-C4' energy: -152.260 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -74.211 tors. eta vs tors. theta energy: 17.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -735.287681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.287681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.287681 (E_RNA) where: Base-Base interactions energy: -273.467 where: short stacking energy: -167.957 Base-Backbone interact. energy: 4.437 local terms energy: -466.257404 where: bonds (distance) C4'-P energy: -142.246 bonds (distance) P-C4' energy: -157.969 flat angles C4'-P-C4' energy: -117.408 flat angles P-C4'-P energy: -86.642 tors. eta vs tors. theta energy: 38.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2725.408416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.408416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.408416 (E_RNA) where: Base-Base interactions energy: -1801.636 where: short stacking energy: -817.417 Base-Backbone interact. energy: 0.439 local terms energy: -924.211276 where: bonds (distance) C4'-P energy: -192.555 bonds (distance) P-C4' energy: -188.844 flat angles C4'-P-C4' energy: -204.297 flat angles P-C4'-P energy: -121.911 tors. eta vs tors. theta energy: -216.604 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: 65 Temperature: 0.950000 Total energy: -2552.498465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.498465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.498465 (E_RNA) where: Base-Base interactions energy: -1646.229 where: short stacking energy: -753.359 Base-Backbone interact. energy: -3.019 local terms energy: -903.250669 where: bonds (distance) C4'-P energy: -163.385 bonds (distance) P-C4' energy: -191.557 flat angles C4'-P-C4' energy: -202.411 flat angles P-C4'-P energy: -135.193 tors. eta vs tors. theta energy: -210.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2402.442154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.442154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.442154 (E_RNA) where: Base-Base interactions energy: -1560.272 where: short stacking energy: -755.667 Base-Backbone interact. energy: -0.034 local terms energy: -842.136801 where: bonds (distance) C4'-P energy: -166.870 bonds (distance) P-C4' energy: -175.637 flat angles C4'-P-C4' energy: -189.655 flat angles P-C4'-P energy: -125.612 tors. eta vs tors. theta energy: -184.363 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: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2149.564619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.564619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.564619 (E_RNA) where: Base-Base interactions energy: -1361.857 where: short stacking energy: -614.416 Base-Backbone interact. energy: 1.731 local terms energy: -789.438673 where: bonds (distance) C4'-P energy: -176.970 bonds (distance) P-C4' energy: -176.515 flat angles C4'-P-C4' energy: -172.461 flat angles P-C4'-P energy: -112.990 tors. eta vs tors. theta energy: -150.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1977.890914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.890914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.890914 (E_RNA) where: Base-Base interactions energy: -1259.085 where: short stacking energy: -576.824 Base-Backbone interact. energy: -3.127 local terms energy: -715.679561 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -164.048 flat angles C4'-P-C4' energy: -162.165 flat angles P-C4'-P energy: -107.001 tors. eta vs tors. theta energy: -105.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1666.324664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.324664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.324664 (E_RNA) where: Base-Base interactions energy: -990.490 where: short stacking energy: -503.146 Base-Backbone interact. energy: -1.704 local terms energy: -674.129868 where: bonds (distance) C4'-P energy: -138.831 bonds (distance) P-C4' energy: -167.156 flat angles C4'-P-C4' energy: -164.760 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -109.189 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: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1486.493389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.493389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.493389 (E_RNA) where: Base-Base interactions energy: -837.100 where: short stacking energy: -430.390 Base-Backbone interact. energy: -0.070 local terms energy: -649.322957 where: bonds (distance) C4'-P energy: -150.616 bonds (distance) P-C4' energy: -160.544 flat angles C4'-P-C4' energy: -161.151 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -74.284 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: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1240.567022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.567022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.567022 (E_RNA) where: Base-Base interactions energy: -658.369 where: short stacking energy: -339.846 Base-Backbone interact. energy: -5.272 local terms energy: -576.926216 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -150.765 flat angles C4'-P-C4' energy: -159.892 flat angles P-C4'-P energy: -103.075 tors. eta vs tors. theta energy: -17.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -933.652182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.652182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.652182 (E_RNA) where: Base-Base interactions energy: -433.153 where: short stacking energy: -250.364 Base-Backbone interact. energy: 3.456 local terms energy: -503.955729 where: bonds (distance) C4'-P energy: -153.654 bonds (distance) P-C4' energy: -140.673 flat angles C4'-P-C4' energy: -136.505 flat angles P-C4'-P energy: -86.489 tors. eta vs tors. theta energy: 13.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -746.130693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.130693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.130693 (E_RNA) where: Base-Base interactions energy: -303.173 where: short stacking energy: -177.787 Base-Backbone interact. energy: -0.167 local terms energy: -442.791157 where: bonds (distance) C4'-P energy: -145.496 bonds (distance) P-C4' energy: -138.402 flat angles C4'-P-C4' energy: -131.497 flat angles P-C4'-P energy: -74.694 tors. eta vs tors. theta energy: 47.297 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: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2745.664036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.664036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.664036 (E_RNA) where: Base-Base interactions energy: -1813.806 where: short stacking energy: -834.408 Base-Backbone interact. energy: -4.830 local terms energy: -927.028615 where: bonds (distance) C4'-P energy: -174.356 bonds (distance) P-C4' energy: -183.455 flat angles C4'-P-C4' energy: -204.415 flat angles P-C4'-P energy: -140.240 tors. eta vs tors. theta energy: -224.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2573.449761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.449761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.449761 (E_RNA) where: Base-Base interactions energy: -1714.995 where: short stacking energy: -796.749 Base-Backbone interact. energy: 2.731 local terms energy: -861.186300 where: bonds (distance) C4'-P energy: -154.233 bonds (distance) P-C4' energy: -190.937 flat angles C4'-P-C4' energy: -182.310 flat angles P-C4'-P energy: -111.238 tors. eta vs tors. theta energy: -222.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2363.249170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.249170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.249170 (E_RNA) where: Base-Base interactions energy: -1555.061 where: short stacking energy: -712.759 Base-Backbone interact. energy: 2.350 local terms energy: -810.538585 where: bonds (distance) C4'-P energy: -138.514 bonds (distance) P-C4' energy: -179.249 flat angles C4'-P-C4' energy: -187.091 flat angles P-C4'-P energy: -110.741 tors. eta vs tors. theta energy: -194.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2179.950453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.950453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.950453 (E_RNA) where: Base-Base interactions energy: -1398.332 where: short stacking energy: -630.839 Base-Backbone interact. energy: 0.349 local terms energy: -781.966597 where: bonds (distance) C4'-P energy: -165.532 bonds (distance) P-C4' energy: -168.203 flat angles C4'-P-C4' energy: -172.343 flat angles P-C4'-P energy: -131.688 tors. eta vs tors. theta energy: -144.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1989.474894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.474894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.474894 (E_RNA) where: Base-Base interactions energy: -1264.235 where: short stacking energy: -595.015 Base-Backbone interact. energy: -1.008 local terms energy: -724.231797 where: bonds (distance) C4'-P energy: -145.579 bonds (distance) P-C4' energy: -161.008 flat angles C4'-P-C4' energy: -181.071 flat angles P-C4'-P energy: -101.976 tors. eta vs tors. theta energy: -134.598 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: 66 Temperature: 1.150000 Total energy: -1683.062682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.062682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.062682 (E_RNA) where: Base-Base interactions energy: -1000.755 where: short stacking energy: -492.550 Base-Backbone interact. energy: 1.693 local terms energy: -684.000799 where: bonds (distance) C4'-P energy: -155.303 bonds (distance) P-C4' energy: -161.573 flat angles C4'-P-C4' energy: -173.125 flat angles P-C4'-P energy: -104.810 tors. eta vs tors. theta energy: -89.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1452.231287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.231287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.231287 (E_RNA) where: Base-Base interactions energy: -824.471 where: short stacking energy: -423.922 Base-Backbone interact. energy: 0.120 local terms energy: -627.880878 where: bonds (distance) C4'-P energy: -152.659 bonds (distance) P-C4' energy: -158.362 flat angles C4'-P-C4' energy: -151.199 flat angles P-C4'-P energy: -97.774 tors. eta vs tors. theta energy: -67.887 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: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1240.159467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.159467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.159467 (E_RNA) where: Base-Base interactions energy: -679.427 where: short stacking energy: -319.653 Base-Backbone interact. energy: -0.105 local terms energy: -560.627594 where: bonds (distance) C4'-P energy: -140.119 bonds (distance) P-C4' energy: -148.459 flat angles C4'-P-C4' energy: -156.519 flat angles P-C4'-P energy: -87.918 tors. eta vs tors. theta energy: -27.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -824.970155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.970155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.970155 (E_RNA) where: Base-Base interactions energy: -343.728 where: short stacking energy: -251.291 Base-Backbone interact. energy: -2.852 local terms energy: -478.390559 where: bonds (distance) C4'-P energy: -150.506 bonds (distance) P-C4' energy: -163.588 flat angles C4'-P-C4' energy: -122.899 flat angles P-C4'-P energy: -51.823 tors. eta vs tors. theta energy: 10.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -774.123292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.123292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.123292 (E_RNA) where: Base-Base interactions energy: -295.608 where: short stacking energy: -197.363 Base-Backbone interact. energy: 0.529 local terms energy: -479.044809 where: bonds (distance) C4'-P energy: -134.970 bonds (distance) P-C4' energy: -170.235 flat angles C4'-P-C4' energy: -126.602 flat angles P-C4'-P energy: -58.705 tors. eta vs tors. theta energy: 11.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2719.210783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.210783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.210783 (E_RNA) where: Base-Base interactions energy: -1806.454 where: short stacking energy: -813.162 Base-Backbone interact. energy: -2.405 local terms energy: -910.351665 where: bonds (distance) C4'-P energy: -187.296 bonds (distance) P-C4' energy: -180.035 flat angles C4'-P-C4' energy: -207.262 flat angles P-C4'-P energy: -113.494 tors. eta vs tors. theta energy: -222.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2585.875576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.875576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.875576 (E_RNA) where: Base-Base interactions energy: -1714.993 where: short stacking energy: -786.729 Base-Backbone interact. energy: -1.671 local terms energy: -869.211147 where: bonds (distance) C4'-P energy: -173.556 bonds (distance) P-C4' energy: -154.476 flat angles C4'-P-C4' energy: -203.706 flat angles P-C4'-P energy: -117.325 tors. eta vs tors. theta energy: -220.148 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: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2382.015937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.015937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.015937 (E_RNA) where: Base-Base interactions energy: -1554.445 where: short stacking energy: -694.188 Base-Backbone interact. energy: 1.526 local terms energy: -829.096950 where: bonds (distance) C4'-P energy: -168.416 bonds (distance) P-C4' energy: -162.728 flat angles C4'-P-C4' energy: -189.554 flat angles P-C4'-P energy: -120.626 tors. eta vs tors. theta energy: -187.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2236.171064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.171064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.171064 (E_RNA) where: Base-Base interactions energy: -1450.627 where: short stacking energy: -633.864 Base-Backbone interact. energy: -2.763 local terms energy: -782.781071 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -190.081 flat angles C4'-P-C4' energy: -167.885 flat angles P-C4'-P energy: -122.421 tors. eta vs tors. theta energy: -150.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2051.125809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.125809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.125809 (E_RNA) where: Base-Base interactions energy: -1299.320 where: short stacking energy: -578.377 Base-Backbone interact. energy: 3.546 local terms energy: -755.351799 where: bonds (distance) C4'-P energy: -177.866 bonds (distance) P-C4' energy: -177.888 flat angles C4'-P-C4' energy: -153.101 flat angles P-C4'-P energy: -104.411 tors. eta vs tors. theta energy: -142.086 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: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1681.502006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.502006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.502006 (E_RNA) where: Base-Base interactions energy: -1005.989 where: short stacking energy: -482.497 Base-Backbone interact. energy: 4.646 local terms energy: -680.159244 where: bonds (distance) C4'-P energy: -156.402 bonds (distance) P-C4' energy: -164.625 flat angles C4'-P-C4' energy: -167.727 flat angles P-C4'-P energy: -98.691 tors. eta vs tors. theta energy: -92.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1521.897956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.897956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.897956 (E_RNA) where: Base-Base interactions energy: -879.787 where: short stacking energy: -413.216 Base-Backbone interact. energy: 2.166 local terms energy: -644.277136 where: bonds (distance) C4'-P energy: -158.375 bonds (distance) P-C4' energy: -154.593 flat angles C4'-P-C4' energy: -158.256 flat angles P-C4'-P energy: -93.956 tors. eta vs tors. theta energy: -79.097 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: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1269.564435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.564435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.564435 (E_RNA) where: Base-Base interactions energy: -715.936 where: short stacking energy: -387.980 Base-Backbone interact. energy: -4.684 local terms energy: -548.943964 where: bonds (distance) C4'-P energy: -140.466 bonds (distance) P-C4' energy: -145.354 flat angles C4'-P-C4' energy: -155.458 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: -27.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -819.692317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.692317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.692317 (E_RNA) where: Base-Base interactions energy: -300.295 where: short stacking energy: -207.050 Base-Backbone interact. energy: 4.447 local terms energy: -523.843933 where: bonds (distance) C4'-P energy: -142.617 bonds (distance) P-C4' energy: -161.036 flat angles C4'-P-C4' energy: -145.334 flat angles P-C4'-P energy: -97.277 tors. eta vs tors. theta energy: 22.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -785.804619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.804619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.804619 (E_RNA) where: Base-Base interactions energy: -323.970 where: short stacking energy: -195.900 Base-Backbone interact. energy: -1.713 local terms energy: -460.122062 where: bonds (distance) C4'-P energy: -158.287 bonds (distance) P-C4' energy: -149.559 flat angles C4'-P-C4' energy: -106.507 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: 19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2767.777338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.777338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.777338 (E_RNA) where: Base-Base interactions energy: -1858.999 where: short stacking energy: -810.734 Base-Backbone interact. energy: -2.757 local terms energy: -906.020725 where: bonds (distance) C4'-P energy: -182.676 bonds (distance) P-C4' energy: -171.510 flat angles C4'-P-C4' energy: -208.953 flat angles P-C4'-P energy: -131.912 tors. eta vs tors. theta energy: -210.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2490.264512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.264512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.264512 (E_RNA) where: Base-Base interactions energy: -1608.677 where: short stacking energy: -715.110 Base-Backbone interact. energy: -3.282 local terms energy: -878.304954 where: bonds (distance) C4'-P energy: -170.655 bonds (distance) P-C4' energy: -172.660 flat angles C4'-P-C4' energy: -197.091 flat angles P-C4'-P energy: -122.973 tors. eta vs tors. theta energy: -214.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2364.070036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.070036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.070036 (E_RNA) where: Base-Base interactions energy: -1544.713 where: short stacking energy: -697.785 Base-Backbone interact. energy: 4.870 local terms energy: -824.227766 where: bonds (distance) C4'-P energy: -167.419 bonds (distance) P-C4' energy: -191.500 flat angles C4'-P-C4' energy: -187.201 flat angles P-C4'-P energy: -105.346 tors. eta vs tors. theta energy: -172.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2244.565462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.565462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.565462 (E_RNA) where: Base-Base interactions energy: -1493.696 where: short stacking energy: -655.023 Base-Backbone interact. energy: -2.370 local terms energy: -748.499215 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -176.254 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -145.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2020.510592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.510592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.510592 (E_RNA) where: Base-Base interactions energy: -1301.973 where: short stacking energy: -608.770 Base-Backbone interact. energy: 1.681 local terms energy: -720.218799 where: bonds (distance) C4'-P energy: -167.452 bonds (distance) P-C4' energy: -155.281 flat angles C4'-P-C4' energy: -167.966 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -139.831 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: 68 Temperature: 1.150000 Total energy: -1695.100135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.100135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.100135 (E_RNA) where: Base-Base interactions energy: -1035.098 where: short stacking energy: -476.712 Base-Backbone interact. energy: 3.174 local terms energy: -663.176352 where: bonds (distance) C4'-P energy: -162.584 bonds (distance) P-C4' energy: -147.144 flat angles C4'-P-C4' energy: -163.599 flat angles P-C4'-P energy: -91.062 tors. eta vs tors. theta energy: -98.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1447.188844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.188844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.188844 (E_RNA) where: Base-Base interactions energy: -815.239 where: short stacking energy: -440.788 Base-Backbone interact. energy: 1.883 local terms energy: -633.833289 where: bonds (distance) C4'-P energy: -169.442 bonds (distance) P-C4' energy: -135.776 flat angles C4'-P-C4' energy: -159.855 flat angles P-C4'-P energy: -98.030 tors. eta vs tors. theta energy: -70.730 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: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1214.206054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.206054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.206054 (E_RNA) where: Base-Base interactions energy: -651.094 where: short stacking energy: -351.222 Base-Backbone interact. energy: 0.426 local terms energy: -563.538257 where: bonds (distance) C4'-P energy: -167.578 bonds (distance) P-C4' energy: -164.253 flat angles C4'-P-C4' energy: -135.844 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -32.914 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: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -816.053326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.053326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.053326 (E_RNA) where: Base-Base interactions energy: -312.742 where: short stacking energy: -229.623 Base-Backbone interact. energy: -2.850 local terms energy: -500.461778 where: bonds (distance) C4'-P energy: -138.574 bonds (distance) P-C4' energy: -148.740 flat angles C4'-P-C4' energy: -128.803 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: 4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -714.890456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.890456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.890456 (E_RNA) where: Base-Base interactions energy: -295.362 where: short stacking energy: -202.407 Base-Backbone interact. energy: 3.898 local terms energy: -423.427011 where: bonds (distance) C4'-P energy: -139.589 bonds (distance) P-C4' energy: -137.286 flat angles C4'-P-C4' energy: -112.675 flat angles P-C4'-P energy: -62.373 tors. eta vs tors. theta energy: 28.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2765.014316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.014316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.014316 (E_RNA) where: Base-Base interactions energy: -1882.630 where: short stacking energy: -807.585 Base-Backbone interact. energy: -3.288 local terms energy: -879.096200 where: bonds (distance) C4'-P energy: -172.074 bonds (distance) P-C4' energy: -174.154 flat angles C4'-P-C4' energy: -198.226 flat angles P-C4'-P energy: -123.380 tors. eta vs tors. theta energy: -211.263 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: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2519.248563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.248563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.248563 (E_RNA) where: Base-Base interactions energy: -1641.565 where: short stacking energy: -765.173 Base-Backbone interact. energy: -2.125 local terms energy: -875.558532 where: bonds (distance) C4'-P energy: -177.319 bonds (distance) P-C4' energy: -171.988 flat angles C4'-P-C4' energy: -201.809 flat angles P-C4'-P energy: -135.662 tors. eta vs tors. theta energy: -188.781 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: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2381.131862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.131862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.131862 (E_RNA) where: Base-Base interactions energy: -1549.192 where: short stacking energy: -698.872 Base-Backbone interact. energy: 0.548 local terms energy: -832.488273 where: bonds (distance) C4'-P energy: -172.239 bonds (distance) P-C4' energy: -167.381 flat angles C4'-P-C4' energy: -184.414 flat angles P-C4'-P energy: -132.399 tors. eta vs tors. theta energy: -176.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2266.850465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.850465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.850465 (E_RNA) where: Base-Base interactions energy: -1477.817 where: short stacking energy: -688.940 Base-Backbone interact. energy: -2.911 local terms energy: -786.122504 where: bonds (distance) C4'-P energy: -154.335 bonds (distance) P-C4' energy: -158.565 flat angles C4'-P-C4' energy: -178.216 flat angles P-C4'-P energy: -119.507 tors. eta vs tors. theta energy: -175.500 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: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2007.112874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.112874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.112874 (E_RNA) where: Base-Base interactions energy: -1256.030 where: short stacking energy: -576.455 Base-Backbone interact. energy: -2.161 local terms energy: -748.921587 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -168.635 flat angles C4'-P-C4' energy: -183.283 flat angles P-C4'-P energy: -108.212 tors. eta vs tors. theta energy: -149.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1809.507559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.507559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.507559 (E_RNA) where: Base-Base interactions energy: -1125.962 where: short stacking energy: -496.716 Base-Backbone interact. energy: -2.931 local terms energy: -680.614686 where: bonds (distance) C4'-P energy: -168.383 bonds (distance) P-C4' energy: -160.940 flat angles C4'-P-C4' energy: -164.918 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -101.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1428.781344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.781344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.781344 (E_RNA) where: Base-Base interactions energy: -822.815 where: short stacking energy: -437.900 Base-Backbone interact. energy: 10.688 local terms energy: -616.654202 where: bonds (distance) C4'-P energy: -150.540 bonds (distance) P-C4' energy: -158.454 flat angles C4'-P-C4' energy: -162.081 flat angles P-C4'-P energy: -82.872 tors. eta vs tors. theta energy: -62.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1253.421959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.421959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.421959 (E_RNA) where: Base-Base interactions energy: -685.397 where: short stacking energy: -358.103 Base-Backbone interact. energy: -1.280 local terms energy: -566.745323 where: bonds (distance) C4'-P energy: -130.552 bonds (distance) P-C4' energy: -176.804 flat angles C4'-P-C4' energy: -146.700 flat angles P-C4'-P energy: -66.089 tors. eta vs tors. theta energy: -46.601 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: 69 Temperature: 1.300000 Total energy: -817.747720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.747720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.747720 (E_RNA) where: Base-Base interactions energy: -345.944 where: short stacking energy: -215.886 Base-Backbone interact. energy: -0.098 local terms energy: -471.705736 where: bonds (distance) C4'-P energy: -121.605 bonds (distance) P-C4' energy: -149.646 flat angles C4'-P-C4' energy: -146.650 flat angles P-C4'-P energy: -85.789 tors. eta vs tors. theta energy: 31.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -725.071820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.071820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.071820 (E_RNA) where: Base-Base interactions energy: -289.681 where: short stacking energy: -208.223 Base-Backbone interact. energy: -1.718 local terms energy: -433.672730 where: bonds (distance) C4'-P energy: -148.210 bonds (distance) P-C4' energy: -135.497 flat angles C4'-P-C4' energy: -121.135 flat angles P-C4'-P energy: -55.492 tors. eta vs tors. theta energy: 26.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2806.957670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.957670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.957670 (E_RNA) where: Base-Base interactions energy: -1866.358 where: short stacking energy: -835.527 Base-Backbone interact. energy: -2.625 local terms energy: -937.975141 where: bonds (distance) C4'-P energy: -175.712 bonds (distance) P-C4' energy: -197.083 flat angles C4'-P-C4' energy: -204.982 flat angles P-C4'-P energy: -129.254 tors. eta vs tors. theta energy: -230.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2480.354002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.354002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.354002 (E_RNA) where: Base-Base interactions energy: -1608.933 where: short stacking energy: -750.165 Base-Backbone interact. energy: -2.022 local terms energy: -869.398825 where: bonds (distance) C4'-P energy: -179.364 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -206.519 flat angles P-C4'-P energy: -106.592 tors. eta vs tors. theta energy: -199.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2382.217414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.217414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.217414 (E_RNA) where: Base-Base interactions energy: -1551.554 where: short stacking energy: -708.999 Base-Backbone interact. energy: -1.075 local terms energy: -829.587907 where: bonds (distance) C4'-P energy: -168.905 bonds (distance) P-C4' energy: -169.541 flat angles C4'-P-C4' energy: -184.644 flat angles P-C4'-P energy: -114.463 tors. eta vs tors. theta energy: -192.034 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: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2277.314789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.314789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.314789 (E_RNA) where: Base-Base interactions energy: -1483.055 where: short stacking energy: -706.558 Base-Backbone interact. energy: 5.750 local terms energy: -800.009679 where: bonds (distance) C4'-P energy: -157.364 bonds (distance) P-C4' energy: -173.846 flat angles C4'-P-C4' energy: -182.418 flat angles P-C4'-P energy: -117.152 tors. eta vs tors. theta energy: -169.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1977.255284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.255284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.255284 (E_RNA) where: Base-Base interactions energy: -1258.174 where: short stacking energy: -569.043 Base-Backbone interact. energy: 5.271 local terms energy: -724.352674 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -155.490 flat angles C4'-P-C4' energy: -192.244 flat angles P-C4'-P energy: -100.319 tors. eta vs tors. theta energy: -148.957 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: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1738.054315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.054315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.054315 (E_RNA) where: Base-Base interactions energy: -1048.952 where: short stacking energy: -513.422 Base-Backbone interact. energy: -1.507 local terms energy: -687.596014 where: bonds (distance) C4'-P energy: -150.108 bonds (distance) P-C4' energy: -163.368 flat angles C4'-P-C4' energy: -166.794 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -110.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1399.867947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.867947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.867947 (E_RNA) where: Base-Base interactions energy: -787.155 where: short stacking energy: -427.176 Base-Backbone interact. energy: 2.158 local terms energy: -614.871122 where: bonds (distance) C4'-P energy: -158.362 bonds (distance) P-C4' energy: -143.778 flat angles C4'-P-C4' energy: -160.096 flat angles P-C4'-P energy: -88.923 tors. eta vs tors. theta energy: -63.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1179.729650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.729650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.729650 (E_RNA) where: Base-Base interactions energy: -643.394 where: short stacking energy: -324.428 Base-Backbone interact. energy: -1.429 local terms energy: -534.907332 where: bonds (distance) C4'-P energy: -151.754 bonds (distance) P-C4' energy: -152.094 flat angles C4'-P-C4' energy: -129.691 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -25.493 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: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -809.095512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.095512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.095512 (E_RNA) where: Base-Base interactions energy: -352.024 where: short stacking energy: -234.033 Base-Backbone interact. energy: 3.033 local terms energy: -460.103690 where: bonds (distance) C4'-P energy: -135.364 bonds (distance) P-C4' energy: -147.800 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -65.298 tors. eta vs tors. theta energy: 11.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -739.562314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.562314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.562314 (E_RNA) where: Base-Base interactions energy: -296.685 where: short stacking energy: -193.646 Base-Backbone interact. energy: -2.655 local terms energy: -440.222530 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -150.662 flat angles C4'-P-C4' energy: -121.178 flat angles P-C4'-P energy: -73.291 tors. eta vs tors. theta energy: 42.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2763.802965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.802965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.802965 (E_RNA) where: Base-Base interactions energy: -1831.264 where: short stacking energy: -807.072 Base-Backbone interact. energy: 1.086 local terms energy: -933.625689 where: bonds (distance) C4'-P energy: -193.208 bonds (distance) P-C4' energy: -185.421 flat angles C4'-P-C4' energy: -209.597 flat angles P-C4'-P energy: -129.694 tors. eta vs tors. theta energy: -215.706 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: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2509.756709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.756709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.756709 (E_RNA) where: Base-Base interactions energy: -1640.968 where: short stacking energy: -751.648 Base-Backbone interact. energy: 2.262 local terms energy: -871.049878 where: bonds (distance) C4'-P energy: -165.507 bonds (distance) P-C4' energy: -171.451 flat angles C4'-P-C4' energy: -199.786 flat angles P-C4'-P energy: -141.826 tors. eta vs tors. theta energy: -192.481 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: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2396.199358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.199358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.199358 (E_RNA) where: Base-Base interactions energy: -1545.950 where: short stacking energy: -697.934 Base-Backbone interact. energy: -3.685 local terms energy: -846.564537 where: bonds (distance) C4'-P energy: -179.930 bonds (distance) P-C4' energy: -168.041 flat angles C4'-P-C4' energy: -192.790 flat angles P-C4'-P energy: -131.822 tors. eta vs tors. theta energy: -173.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2202.806052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.806052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.806052 (E_RNA) where: Base-Base interactions energy: -1420.539 where: short stacking energy: -657.187 Base-Backbone interact. energy: -2.934 local terms energy: -779.332461 where: bonds (distance) C4'-P energy: -164.896 bonds (distance) P-C4' energy: -155.287 flat angles C4'-P-C4' energy: -178.776 flat angles P-C4'-P energy: -126.573 tors. eta vs tors. theta energy: -153.800 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: 71 Temperature: 1.100000 Total energy: -1970.356007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.356007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.356007 (E_RNA) where: Base-Base interactions energy: -1218.307 where: short stacking energy: -582.453 Base-Backbone interact. energy: -0.133 local terms energy: -751.916001 where: bonds (distance) C4'-P energy: -161.936 bonds (distance) P-C4' energy: -167.595 flat angles C4'-P-C4' energy: -170.453 flat angles P-C4'-P energy: -114.533 tors. eta vs tors. theta energy: -137.399 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: 71 Temperature: 1.150000 Total energy: -1768.689295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.689295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.689295 (E_RNA) where: Base-Base interactions energy: -1059.510 where: short stacking energy: -490.418 Base-Backbone interact. energy: -3.004 local terms energy: -706.175325 where: bonds (distance) C4'-P energy: -148.352 bonds (distance) P-C4' energy: -178.156 flat angles C4'-P-C4' energy: -162.581 flat angles P-C4'-P energy: -96.108 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: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1419.815145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.815145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.815145 (E_RNA) where: Base-Base interactions energy: -791.253 where: short stacking energy: -415.288 Base-Backbone interact. energy: -2.992 local terms energy: -625.570220 where: bonds (distance) C4'-P energy: -127.222 bonds (distance) P-C4' energy: -169.343 flat angles C4'-P-C4' energy: -160.382 flat angles P-C4'-P energy: -101.332 tors. eta vs tors. theta energy: -67.291 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: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1168.442940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.442940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.442940 (E_RNA) where: Base-Base interactions energy: -585.643 where: short stacking energy: -307.764 Base-Backbone interact. energy: -2.726 local terms energy: -580.073973 where: bonds (distance) C4'-P energy: -156.182 bonds (distance) P-C4' energy: -174.230 flat angles C4'-P-C4' energy: -137.797 flat angles P-C4'-P energy: -84.192 tors. eta vs tors. theta energy: -27.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -800.595312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.595312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.595312 (E_RNA) where: Base-Base interactions energy: -309.131 where: short stacking energy: -209.674 Base-Backbone interact. energy: -2.590 local terms energy: -488.874475 where: bonds (distance) C4'-P energy: -126.422 bonds (distance) P-C4' energy: -157.902 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -92.712 tors. eta vs tors. theta energy: 22.238 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: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -708.534079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.534079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.534079 (E_RNA) where: Base-Base interactions energy: -263.228 where: short stacking energy: -195.680 Base-Backbone interact. energy: 0.604 local terms energy: -445.910062 where: bonds (distance) C4'-P energy: -149.075 bonds (distance) P-C4' energy: -158.259 flat angles C4'-P-C4' energy: -113.112 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: 35.950 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: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2763.271890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.271890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.271890 (E_RNA) where: Base-Base interactions energy: -1817.973 where: short stacking energy: -803.398 Base-Backbone interact. energy: 3.534 local terms energy: -948.832722 where: bonds (distance) C4'-P energy: -199.008 bonds (distance) P-C4' energy: -191.843 flat angles C4'-P-C4' energy: -201.044 flat angles P-C4'-P energy: -136.979 tors. eta vs tors. theta energy: -219.960 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: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2519.261370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.261370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.261370 (E_RNA) where: Base-Base interactions energy: -1645.314 where: short stacking energy: -751.848 Base-Backbone interact. energy: -0.841 local terms energy: -873.106928 where: bonds (distance) C4'-P energy: -173.614 bonds (distance) P-C4' energy: -191.222 flat angles C4'-P-C4' energy: -182.962 flat angles P-C4'-P energy: -127.030 tors. eta vs tors. theta energy: -198.278 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: 7 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2393.961139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.961139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.961139 (E_RNA) where: Base-Base interactions energy: -1581.248 where: short stacking energy: -698.508 Base-Backbone interact. energy: -2.631 local terms energy: -810.082767 where: bonds (distance) C4'-P energy: -179.268 bonds (distance) P-C4' energy: -162.949 flat angles C4'-P-C4' energy: -174.276 flat angles P-C4'-P energy: -109.323 tors. eta vs tors. theta energy: -184.267 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: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2255.389248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.389248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.389248 (E_RNA) where: Base-Base interactions energy: -1459.390 where: short stacking energy: -674.637 Base-Backbone interact. energy: 2.020 local terms energy: -798.019389 where: bonds (distance) C4'-P energy: -159.663 bonds (distance) P-C4' energy: -170.782 flat angles C4'-P-C4' energy: -178.888 flat angles P-C4'-P energy: -113.212 tors. eta vs tors. theta energy: -175.475 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: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1997.181195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.181195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.181195 (E_RNA) where: Base-Base interactions energy: -1244.106 where: short stacking energy: -598.493 Base-Backbone interact. energy: -2.163 local terms energy: -750.912536 where: bonds (distance) C4'-P energy: -160.624 bonds (distance) P-C4' energy: -163.135 flat angles C4'-P-C4' energy: -181.700 flat angles P-C4'-P energy: -115.839 tors. eta vs tors. theta energy: -129.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1783.224939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.224939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.224939 (E_RNA) where: Base-Base interactions energy: -1150.545 where: short stacking energy: -531.707 Base-Backbone interact. energy: 0.329 local terms energy: -633.008603 where: bonds (distance) C4'-P energy: -121.609 bonds (distance) P-C4' energy: -165.271 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -76.088 tors. eta vs tors. theta energy: -107.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1463.081675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.081675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.081675 (E_RNA) where: Base-Base interactions energy: -836.309 where: short stacking energy: -445.165 Base-Backbone interact. energy: -1.975 local terms energy: -624.798262 where: bonds (distance) C4'-P energy: -152.757 bonds (distance) P-C4' energy: -157.327 flat angles C4'-P-C4' energy: -133.405 flat angles P-C4'-P energy: -90.130 tors. eta vs tors. theta energy: -91.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1153.177834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.177834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.177834 (E_RNA) where: Base-Base interactions energy: -616.038 where: short stacking energy: -306.844 Base-Backbone interact. energy: -1.153 local terms energy: -535.986849 where: bonds (distance) C4'-P energy: -140.386 bonds (distance) P-C4' energy: -174.169 flat angles C4'-P-C4' energy: -130.165 flat angles P-C4'-P energy: -67.465 tors. eta vs tors. theta energy: -23.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -817.507707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.507707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.507707 (E_RNA) where: Base-Base interactions energy: -366.052 where: short stacking energy: -238.555 Base-Backbone interact. energy: 2.470 local terms energy: -453.926047 where: bonds (distance) C4'-P energy: -152.431 bonds (distance) P-C4' energy: -154.571 flat angles C4'-P-C4' energy: -101.374 flat angles P-C4'-P energy: -73.499 tors. eta vs tors. theta energy: 27.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -713.190154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.190154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.190154 (E_RNA) where: Base-Base interactions energy: -289.157 where: short stacking energy: -171.763 Base-Backbone interact. energy: 5.240 local terms energy: -429.273528 where: bonds (distance) C4'-P energy: -139.548 bonds (distance) P-C4' energy: -149.054 flat angles C4'-P-C4' energy: -124.910 flat angles P-C4'-P energy: -77.325 tors. eta vs tors. theta energy: 61.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2703.661992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.661992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.661992 (E_RNA) where: Base-Base interactions energy: -1791.638 where: short stacking energy: -805.453 Base-Backbone interact. energy: 0.694 local terms energy: -912.718387 where: bonds (distance) C4'-P energy: -176.984 bonds (distance) P-C4' energy: -188.869 flat angles C4'-P-C4' energy: -193.726 flat angles P-C4'-P energy: -129.964 tors. eta vs tors. theta energy: -223.175 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: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2457.545884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.545884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.545884 (E_RNA) where: Base-Base interactions energy: -1600.171 where: short stacking energy: -718.371 Base-Backbone interact. energy: 1.477 local terms energy: -858.851751 where: bonds (distance) C4'-P energy: -168.095 bonds (distance) P-C4' energy: -176.312 flat angles C4'-P-C4' energy: -195.595 flat angles P-C4'-P energy: -135.508 tors. eta vs tors. theta energy: -183.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2353.922658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.922658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.922658 (E_RNA) where: Base-Base interactions energy: -1525.470 where: short stacking energy: -702.373 Base-Backbone interact. energy: -5.755 local terms energy: -822.697980 where: bonds (distance) C4'-P energy: -175.396 bonds (distance) P-C4' energy: -158.287 flat angles C4'-P-C4' energy: -189.507 flat angles P-C4'-P energy: -121.163 tors. eta vs tors. theta energy: -178.345 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: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2236.053455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.053455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.053455 (E_RNA) where: Base-Base interactions energy: -1462.481 where: short stacking energy: -638.211 Base-Backbone interact. energy: -1.038 local terms energy: -772.534335 where: bonds (distance) C4'-P energy: -164.825 bonds (distance) P-C4' energy: -173.337 flat angles C4'-P-C4' energy: -167.789 flat angles P-C4'-P energy: -104.860 tors. eta vs tors. theta energy: -161.723 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: 73 Temperature: 1.100000 Total energy: -1920.495294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.495294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.495294 (E_RNA) where: Base-Base interactions energy: -1163.579 where: short stacking energy: -569.465 Base-Backbone interact. energy: -2.990 local terms energy: -753.925419 where: bonds (distance) C4'-P energy: -164.662 bonds (distance) P-C4' energy: -161.987 flat angles C4'-P-C4' energy: -169.585 flat angles P-C4'-P energy: -111.554 tors. eta vs tors. theta energy: -146.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1873.592410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.592410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.592410 (E_RNA) where: Base-Base interactions energy: -1175.673 where: short stacking energy: -546.621 Base-Backbone interact. energy: -4.677 local terms energy: -693.242289 where: bonds (distance) C4'-P energy: -150.611 bonds (distance) P-C4' energy: -158.211 flat angles C4'-P-C4' energy: -167.286 flat angles P-C4'-P energy: -105.590 tors. eta vs tors. theta energy: -111.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1587.928887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.928887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.928887 (E_RNA) where: Base-Base interactions energy: -912.583 where: short stacking energy: -452.436 Base-Backbone interact. energy: -1.801 local terms energy: -673.544080 where: bonds (distance) C4'-P energy: -155.878 bonds (distance) P-C4' energy: -168.000 flat angles C4'-P-C4' energy: -170.281 flat angles P-C4'-P energy: -81.859 tors. eta vs tors. theta energy: -97.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1215.418210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.418210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.418210 (E_RNA) where: Base-Base interactions energy: -639.166 where: short stacking energy: -339.271 Base-Backbone interact. energy: -2.663 local terms energy: -573.588713 where: bonds (distance) C4'-P energy: -153.713 bonds (distance) P-C4' energy: -158.872 flat angles C4'-P-C4' energy: -134.548 flat angles P-C4'-P energy: -84.292 tors. eta vs tors. theta energy: -42.164 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: 73 Temperature: 1.300000 Total energy: -840.230177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.230177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.230177 (E_RNA) where: Base-Base interactions energy: -320.323 where: short stacking energy: -207.536 Base-Backbone interact. energy: 2.790 local terms energy: -522.696929 where: bonds (distance) C4'-P energy: -154.257 bonds (distance) P-C4' energy: -174.702 flat angles C4'-P-C4' energy: -153.195 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: 21.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -704.250420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.250420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.250420 (E_RNA) where: Base-Base interactions energy: -267.374 where: short stacking energy: -207.262 Base-Backbone interact. energy: 3.172 local terms energy: -440.047651 where: bonds (distance) C4'-P energy: -153.214 bonds (distance) P-C4' energy: -143.192 flat angles C4'-P-C4' energy: -114.714 flat angles P-C4'-P energy: -57.418 tors. eta vs tors. theta energy: 28.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2755.098471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.098471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.098471 (E_RNA) where: Base-Base interactions energy: -1853.825 where: short stacking energy: -847.311 Base-Backbone interact. energy: -2.200 local terms energy: -899.073891 where: bonds (distance) C4'-P energy: -186.104 bonds (distance) P-C4' energy: -169.524 flat angles C4'-P-C4' energy: -203.655 flat angles P-C4'-P energy: -106.710 tors. eta vs tors. theta energy: -233.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2516.974494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.974494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.974494 (E_RNA) where: Base-Base interactions energy: -1643.656 where: short stacking energy: -744.221 Base-Backbone interact. energy: -1.055 local terms energy: -872.262997 where: bonds (distance) C4'-P energy: -173.014 bonds (distance) P-C4' energy: -184.481 flat angles C4'-P-C4' energy: -189.415 flat angles P-C4'-P energy: -126.790 tors. eta vs tors. theta energy: -198.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2409.084152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.084152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.084152 (E_RNA) where: Base-Base interactions energy: -1590.369 where: short stacking energy: -713.492 Base-Backbone interact. energy: -4.590 local terms energy: -814.125173 where: bonds (distance) C4'-P energy: -157.992 bonds (distance) P-C4' energy: -179.001 flat angles C4'-P-C4' energy: -184.314 flat angles P-C4'-P energy: -106.177 tors. eta vs tors. theta energy: -186.641 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: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2321.373523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.373523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.373523 (E_RNA) where: Base-Base interactions energy: -1575.154 where: short stacking energy: -665.180 Base-Backbone interact. energy: 1.899 local terms energy: -748.117963 where: bonds (distance) C4'-P energy: -159.717 bonds (distance) P-C4' energy: -147.973 flat angles C4'-P-C4' energy: -173.592 flat angles P-C4'-P energy: -111.136 tors. eta vs tors. theta energy: -155.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1940.097675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.097675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.097675 (E_RNA) where: Base-Base interactions energy: -1195.236 where: short stacking energy: -574.504 Base-Backbone interact. energy: 1.332 local terms energy: -746.193623 where: bonds (distance) C4'-P energy: -172.248 bonds (distance) P-C4' energy: -159.947 flat angles C4'-P-C4' energy: -183.913 flat angles P-C4'-P energy: -94.486 tors. eta vs tors. theta energy: -135.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1818.625196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.625196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.625196 (E_RNA) where: Base-Base interactions energy: -1129.455 where: short stacking energy: -528.424 Base-Backbone interact. energy: -0.211 local terms energy: -688.959447 where: bonds (distance) C4'-P energy: -160.623 bonds (distance) P-C4' energy: -145.964 flat angles C4'-P-C4' energy: -161.901 flat angles P-C4'-P energy: -91.483 tors. eta vs tors. theta energy: -128.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1578.244148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.244148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.244148 (E_RNA) where: Base-Base interactions energy: -956.491 where: short stacking energy: -467.726 Base-Backbone interact. energy: 4.783 local terms energy: -626.536561 where: bonds (distance) C4'-P energy: -150.378 bonds (distance) P-C4' energy: -156.694 flat angles C4'-P-C4' energy: -149.074 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: -81.314 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: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1195.111189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.111189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.111189 (E_RNA) where: Base-Base interactions energy: -644.268 where: short stacking energy: -332.830 Base-Backbone interact. energy: -1.940 local terms energy: -548.902376 where: bonds (distance) C4'-P energy: -135.981 bonds (distance) P-C4' energy: -150.346 flat angles C4'-P-C4' energy: -151.590 flat angles P-C4'-P energy: -71.081 tors. eta vs tors. theta energy: -39.905 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: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -856.398545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.398545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.398545 (E_RNA) where: Base-Base interactions energy: -374.276 where: short stacking energy: -244.787 Base-Backbone interact. energy: 3.742 local terms energy: -485.864723 where: bonds (distance) C4'-P energy: -145.113 bonds (distance) P-C4' energy: -146.802 flat angles C4'-P-C4' energy: -115.811 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: 13.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -713.152020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.152020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.152020 (E_RNA) where: Base-Base interactions energy: -261.880 where: short stacking energy: -189.105 Base-Backbone interact. energy: 4.804 local terms energy: -456.075870 where: bonds (distance) C4'-P energy: -134.666 bonds (distance) P-C4' energy: -160.261 flat angles C4'-P-C4' energy: -117.527 flat angles P-C4'-P energy: -66.946 tors. eta vs tors. theta energy: 23.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2767.348905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.348905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.348905 (E_RNA) where: Base-Base interactions energy: -1840.146 where: short stacking energy: -806.938 Base-Backbone interact. energy: -2.860 local terms energy: -924.343128 where: bonds (distance) C4'-P energy: -179.600 bonds (distance) P-C4' energy: -186.757 flat angles C4'-P-C4' energy: -203.782 flat angles P-C4'-P energy: -132.213 tors. eta vs tors. theta energy: -221.991 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: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2543.604476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.604476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.604476 (E_RNA) where: Base-Base interactions energy: -1632.934 where: short stacking energy: -748.695 Base-Backbone interact. energy: 2.676 local terms energy: -913.346312 where: bonds (distance) C4'-P energy: -197.615 bonds (distance) P-C4' energy: -183.098 flat angles C4'-P-C4' energy: -192.784 flat angles P-C4'-P energy: -147.934 tors. eta vs tors. theta energy: -191.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2414.920031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.920031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.920031 (E_RNA) where: Base-Base interactions energy: -1595.000 where: short stacking energy: -746.768 Base-Backbone interact. energy: -6.084 local terms energy: -813.836426 where: bonds (distance) C4'-P energy: -163.874 bonds (distance) P-C4' energy: -150.710 flat angles C4'-P-C4' energy: -187.807 flat angles P-C4'-P energy: -119.987 tors. eta vs tors. theta energy: -191.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2273.934868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.934868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.934868 (E_RNA) where: Base-Base interactions energy: -1497.820 where: short stacking energy: -674.864 Base-Backbone interact. energy: 3.047 local terms energy: -779.162143 where: bonds (distance) C4'-P energy: -159.378 bonds (distance) P-C4' energy: -163.649 flat angles C4'-P-C4' energy: -187.263 flat angles P-C4'-P energy: -103.408 tors. eta vs tors. theta energy: -165.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1945.325650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.325650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.325650 (E_RNA) where: Base-Base interactions energy: -1203.097 where: short stacking energy: -555.831 Base-Backbone interact. energy: -1.741 local terms energy: -740.487696 where: bonds (distance) C4'-P energy: -165.450 bonds (distance) P-C4' energy: -170.098 flat angles C4'-P-C4' energy: -156.453 flat angles P-C4'-P energy: -123.884 tors. eta vs tors. theta energy: -124.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1811.896189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.896189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.896189 (E_RNA) where: Base-Base interactions energy: -1090.293 where: short stacking energy: -493.546 Base-Backbone interact. energy: -3.406 local terms energy: -718.196859 where: bonds (distance) C4'-P energy: -168.605 bonds (distance) P-C4' energy: -131.987 flat angles C4'-P-C4' energy: -178.366 flat angles P-C4'-P energy: -115.950 tors. eta vs tors. theta energy: -123.289 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: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1609.871487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.871487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.871487 (E_RNA) where: Base-Base interactions energy: -945.633 where: short stacking energy: -456.935 Base-Backbone interact. energy: -2.706 local terms energy: -661.531898 where: bonds (distance) C4'-P energy: -158.199 bonds (distance) P-C4' energy: -169.809 flat angles C4'-P-C4' energy: -157.311 flat angles P-C4'-P energy: -84.605 tors. eta vs tors. theta energy: -91.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1282.782624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.782624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.782624 (E_RNA) where: Base-Base interactions energy: -731.380 where: short stacking energy: -364.487 Base-Backbone interact. energy: 1.074 local terms energy: -552.476251 where: bonds (distance) C4'-P energy: -142.625 bonds (distance) P-C4' energy: -142.967 flat angles C4'-P-C4' energy: -135.582 flat angles P-C4'-P energy: -103.948 tors. eta vs tors. theta energy: -27.354 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: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -851.819038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.819038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.819038 (E_RNA) where: Base-Base interactions energy: -346.782 where: short stacking energy: -225.913 Base-Backbone interact. energy: -6.345 local terms energy: -498.691990 where: bonds (distance) C4'-P energy: -151.099 bonds (distance) P-C4' energy: -162.631 flat angles C4'-P-C4' energy: -122.596 flat angles P-C4'-P energy: -77.157 tors. eta vs tors. theta energy: 14.791 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: 75 Temperature: 1.350000 Total energy: -708.000326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.000326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.000326 (E_RNA) where: Base-Base interactions energy: -264.962 where: short stacking energy: -218.573 Base-Backbone interact. energy: -2.596 local terms energy: -440.441590 where: bonds (distance) C4'-P energy: -137.449 bonds (distance) P-C4' energy: -157.839 flat angles C4'-P-C4' energy: -117.056 flat angles P-C4'-P energy: -59.823 tors. eta vs tors. theta energy: 31.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2730.477624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.477624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.477624 (E_RNA) where: Base-Base interactions energy: -1818.703 where: short stacking energy: -795.969 Base-Backbone interact. energy: -0.390 local terms energy: -911.384368 where: bonds (distance) C4'-P energy: -173.726 bonds (distance) P-C4' energy: -192.767 flat angles C4'-P-C4' energy: -186.607 flat angles P-C4'-P energy: -145.191 tors. eta vs tors. theta energy: -213.093 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: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2607.047671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.047671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.047671 (E_RNA) where: Base-Base interactions energy: -1726.565 where: short stacking energy: -764.454 Base-Backbone interact. energy: -4.290 local terms energy: -876.193119 where: bonds (distance) C4'-P energy: -163.351 bonds (distance) P-C4' energy: -179.659 flat angles C4'-P-C4' energy: -207.109 flat angles P-C4'-P energy: -130.440 tors. eta vs tors. theta energy: -195.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2379.664899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.664899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.664899 (E_RNA) where: Base-Base interactions energy: -1564.866 where: short stacking energy: -694.174 Base-Backbone interact. energy: -2.456 local terms energy: -812.342108 where: bonds (distance) C4'-P energy: -166.507 bonds (distance) P-C4' energy: -181.934 flat angles C4'-P-C4' energy: -183.379 flat angles P-C4'-P energy: -107.049 tors. eta vs tors. theta energy: -173.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2314.930960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.930960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.930960 (E_RNA) where: Base-Base interactions energy: -1473.089 where: short stacking energy: -694.888 Base-Backbone interact. energy: 0.966 local terms energy: -842.807338 where: bonds (distance) C4'-P energy: -174.085 bonds (distance) P-C4' energy: -161.847 flat angles C4'-P-C4' energy: -192.040 flat angles P-C4'-P energy: -134.792 tors. eta vs tors. theta energy: -180.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1989.075295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.075295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.075295 (E_RNA) where: Base-Base interactions energy: -1230.597 where: short stacking energy: -586.621 Base-Backbone interact. energy: 1.312 local terms energy: -759.790356 where: bonds (distance) C4'-P energy: -151.150 bonds (distance) P-C4' energy: -176.296 flat angles C4'-P-C4' energy: -185.729 flat angles P-C4'-P energy: -95.712 tors. eta vs tors. theta energy: -150.904 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: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1814.281368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.281368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.281368 (E_RNA) where: Base-Base interactions energy: -1103.616 where: short stacking energy: -531.539 Base-Backbone interact. energy: -2.896 local terms energy: -707.769966 where: bonds (distance) C4'-P energy: -166.506 bonds (distance) P-C4' energy: -182.236 flat angles C4'-P-C4' energy: -143.470 flat angles P-C4'-P energy: -101.938 tors. eta vs tors. theta energy: -113.621 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: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1721.527827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.527827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.527827 (E_RNA) where: Base-Base interactions energy: -1025.406 where: short stacking energy: -527.630 Base-Backbone interact. energy: -1.452 local terms energy: -694.669970 where: bonds (distance) C4'-P energy: -150.329 bonds (distance) P-C4' energy: -164.327 flat angles C4'-P-C4' energy: -169.974 flat angles P-C4'-P energy: -91.900 tors. eta vs tors. theta energy: -118.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1277.577074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.577074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.577074 (E_RNA) where: Base-Base interactions energy: -686.643 where: short stacking energy: -380.161 Base-Backbone interact. energy: 3.689 local terms energy: -594.622958 where: bonds (distance) C4'-P energy: -156.810 bonds (distance) P-C4' energy: -174.353 flat angles C4'-P-C4' energy: -136.708 flat angles P-C4'-P energy: -86.219 tors. eta vs tors. theta energy: -40.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -857.486122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.486122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.486122 (E_RNA) where: Base-Base interactions energy: -372.821 where: short stacking energy: -240.741 Base-Backbone interact. energy: 11.082 local terms energy: -495.746809 where: bonds (distance) C4'-P energy: -155.028 bonds (distance) P-C4' energy: -145.605 flat angles C4'-P-C4' energy: -98.970 flat angles P-C4'-P energy: -112.536 tors. eta vs tors. theta energy: 16.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -694.786997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.786997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.786997 (E_RNA) where: Base-Base interactions energy: -219.616 where: short stacking energy: -194.427 Base-Backbone interact. energy: 1.864 local terms energy: -477.034822 where: bonds (distance) C4'-P energy: -175.324 bonds (distance) P-C4' energy: -137.042 flat angles C4'-P-C4' energy: -109.863 flat angles P-C4'-P energy: -74.943 tors. eta vs tors. theta energy: 20.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2747.366683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.366683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.366683 (E_RNA) where: Base-Base interactions energy: -1844.295 where: short stacking energy: -819.494 Base-Backbone interact. energy: 0.702 local terms energy: -903.774221 where: bonds (distance) C4'-P energy: -176.606 bonds (distance) P-C4' energy: -181.723 flat angles C4'-P-C4' energy: -196.096 flat angles P-C4'-P energy: -128.117 tors. eta vs tors. theta energy: -221.231 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: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2634.261885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.261885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.261885 (E_RNA) where: Base-Base interactions energy: -1759.942 where: short stacking energy: -753.442 Base-Backbone interact. energy: -1.227 local terms energy: -873.093642 where: bonds (distance) C4'-P energy: -161.050 bonds (distance) P-C4' energy: -189.535 flat angles C4'-P-C4' energy: -190.076 flat angles P-C4'-P energy: -125.145 tors. eta vs tors. theta energy: -207.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2359.187215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.187215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.187215 (E_RNA) where: Base-Base interactions energy: -1548.532 where: short stacking energy: -717.501 Base-Backbone interact. energy: -2.597 local terms energy: -808.058294 where: bonds (distance) C4'-P energy: -162.548 bonds (distance) P-C4' energy: -181.593 flat angles C4'-P-C4' energy: -182.343 flat angles P-C4'-P energy: -113.649 tors. eta vs tors. theta energy: -167.925 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: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2333.424649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.424649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.424649 (E_RNA) where: Base-Base interactions energy: -1502.310 where: short stacking energy: -675.282 Base-Backbone interact. energy: -1.467 local terms energy: -829.647847 where: bonds (distance) C4'-P energy: -172.800 bonds (distance) P-C4' energy: -173.175 flat angles C4'-P-C4' energy: -184.044 flat angles P-C4'-P energy: -118.799 tors. eta vs tors. theta energy: -180.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2025.803708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.803708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.803708 (E_RNA) where: Base-Base interactions energy: -1277.282 where: short stacking energy: -573.954 Base-Backbone interact. energy: -0.234 local terms energy: -748.287866 where: bonds (distance) C4'-P energy: -166.802 bonds (distance) P-C4' energy: -146.858 flat angles C4'-P-C4' energy: -187.577 flat angles P-C4'-P energy: -111.176 tors. eta vs tors. theta energy: -135.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1841.221000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.221000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.221000 (E_RNA) where: Base-Base interactions energy: -1147.000 where: short stacking energy: -540.134 Base-Backbone interact. energy: -1.495 local terms energy: -692.726274 where: bonds (distance) C4'-P energy: -159.089 bonds (distance) P-C4' energy: -154.962 flat angles C4'-P-C4' energy: -166.280 flat angles P-C4'-P energy: -92.847 tors. eta vs tors. theta energy: -119.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1626.442965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.442965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.442965 (E_RNA) where: Base-Base interactions energy: -936.384 where: short stacking energy: -435.533 Base-Backbone interact. energy: -3.334 local terms energy: -686.725127 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -187.538 flat angles C4'-P-C4' energy: -155.888 flat angles P-C4'-P energy: -105.816 tors. eta vs tors. theta energy: -96.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1301.398162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.398162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.398162 (E_RNA) where: Base-Base interactions energy: -702.265 where: short stacking energy: -318.790 Base-Backbone interact. energy: -1.050 local terms energy: -598.083780 where: bonds (distance) C4'-P energy: -153.149 bonds (distance) P-C4' energy: -175.891 flat angles C4'-P-C4' energy: -145.168 flat angles P-C4'-P energy: -105.896 tors. eta vs tors. theta energy: -17.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -879.829041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.829041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.829041 (E_RNA) where: Base-Base interactions energy: -381.097 where: short stacking energy: -259.326 Base-Backbone interact. energy: 1.777 local terms energy: -500.509164 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -129.350 flat angles P-C4'-P energy: -81.511 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -679.933396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.933396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.933396 (E_RNA) where: Base-Base interactions energy: -275.723 where: short stacking energy: -183.573 Base-Backbone interact. energy: 1.540 local terms energy: -405.750350 where: bonds (distance) C4'-P energy: -119.720 bonds (distance) P-C4' energy: -136.147 flat angles C4'-P-C4' energy: -103.284 flat angles P-C4'-P energy: -82.512 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: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2773.625664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.625664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.625664 (E_RNA) where: Base-Base interactions energy: -1895.116 where: short stacking energy: -809.244 Base-Backbone interact. energy: -1.691 local terms energy: -876.818848 where: bonds (distance) C4'-P energy: -165.911 bonds (distance) P-C4' energy: -179.719 flat angles C4'-P-C4' energy: -193.643 flat angles P-C4'-P energy: -130.084 tors. eta vs tors. theta energy: -207.462 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2637.206878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.206878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.206878 (E_RNA) where: Base-Base interactions energy: -1762.033 where: short stacking energy: -780.023 Base-Backbone interact. energy: -1.563 local terms energy: -873.610816 where: bonds (distance) C4'-P energy: -165.488 bonds (distance) P-C4' energy: -170.900 flat angles C4'-P-C4' energy: -198.282 flat angles P-C4'-P energy: -133.846 tors. eta vs tors. theta energy: -205.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2433.250142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.250142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.250142 (E_RNA) where: Base-Base interactions energy: -1587.960 where: short stacking energy: -733.815 Base-Backbone interact. energy: 1.854 local terms energy: -847.144413 where: bonds (distance) C4'-P energy: -166.557 bonds (distance) P-C4' energy: -174.325 flat angles C4'-P-C4' energy: -197.323 flat angles P-C4'-P energy: -121.795 tors. eta vs tors. theta energy: -187.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2272.033582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.033582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.033582 (E_RNA) where: Base-Base interactions energy: -1469.620 where: short stacking energy: -655.527 Base-Backbone interact. energy: -4.474 local terms energy: -797.939843 where: bonds (distance) C4'-P energy: -162.627 bonds (distance) P-C4' energy: -183.071 flat angles C4'-P-C4' energy: -183.634 flat angles P-C4'-P energy: -87.434 tors. eta vs tors. theta energy: -181.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2002.439575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.439575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.439575 (E_RNA) where: Base-Base interactions energy: -1287.432 where: short stacking energy: -593.795 Base-Backbone interact. energy: 2.388 local terms energy: -717.395547 where: bonds (distance) C4'-P energy: -153.478 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -169.117 flat angles P-C4'-P energy: -89.296 tors. eta vs tors. theta energy: -148.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1893.276226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.276226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.276226 (E_RNA) where: Base-Base interactions energy: -1179.200 where: short stacking energy: -507.397 Base-Backbone interact. energy: 4.628 local terms energy: -718.704561 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -161.755 flat angles C4'-P-C4' energy: -181.288 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -120.870 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: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1688.905054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.905054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.905054 (E_RNA) where: Base-Base interactions energy: -1026.502 where: short stacking energy: -488.304 Base-Backbone interact. energy: 0.991 local terms energy: -663.394524 where: bonds (distance) C4'-P energy: -156.975 bonds (distance) P-C4' energy: -173.410 flat angles C4'-P-C4' energy: -158.430 flat angles P-C4'-P energy: -95.620 tors. eta vs tors. theta energy: -78.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1244.254911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.254911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.254911 (E_RNA) where: Base-Base interactions energy: -701.780 where: short stacking energy: -349.960 Base-Backbone interact. energy: 0.192 local terms energy: -542.666888 where: bonds (distance) C4'-P energy: -139.367 bonds (distance) P-C4' energy: -151.348 flat angles C4'-P-C4' energy: -139.055 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -24.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -717.386242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.386242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.386242 (E_RNA) where: Base-Base interactions energy: -269.460 where: short stacking energy: -208.218 Base-Backbone interact. energy: 0.941 local terms energy: -448.866974 where: bonds (distance) C4'-P energy: -146.168 bonds (distance) P-C4' energy: -167.867 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: 26.901 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: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -725.402770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.402770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.402770 (E_RNA) where: Base-Base interactions energy: -256.185 where: short stacking energy: -179.484 Base-Backbone interact. energy: -0.546 local terms energy: -468.671897 where: bonds (distance) C4'-P energy: -139.447 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -118.061 flat angles P-C4'-P energy: -86.252 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: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2790.373459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.373459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.373459 (E_RNA) where: Base-Base interactions energy: -1873.205 where: short stacking energy: -819.115 Base-Backbone interact. energy: -4.000 local terms energy: -913.168656 where: bonds (distance) C4'-P energy: -185.341 bonds (distance) P-C4' energy: -181.580 flat angles C4'-P-C4' energy: -199.042 flat angles P-C4'-P energy: -125.576 tors. eta vs tors. theta energy: -221.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2664.194336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.194336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.194336 (E_RNA) where: Base-Base interactions energy: -1785.914 where: short stacking energy: -783.481 Base-Backbone interact. energy: 0.819 local terms energy: -879.098762 where: bonds (distance) C4'-P energy: -151.723 bonds (distance) P-C4' energy: -185.916 flat angles C4'-P-C4' energy: -198.865 flat angles P-C4'-P energy: -126.194 tors. eta vs tors. theta energy: -216.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2459.076343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.076343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.076343 (E_RNA) where: Base-Base interactions energy: -1604.629 where: short stacking energy: -745.600 Base-Backbone interact. energy: -2.139 local terms energy: -852.308503 where: bonds (distance) C4'-P energy: -176.083 bonds (distance) P-C4' energy: -171.825 flat angles C4'-P-C4' energy: -178.737 flat angles P-C4'-P energy: -133.063 tors. eta vs tors. theta energy: -192.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2319.040060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.040060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.040060 (E_RNA) where: Base-Base interactions energy: -1518.403 where: short stacking energy: -678.243 Base-Backbone interact. energy: -0.285 local terms energy: -800.351472 where: bonds (distance) C4'-P energy: -184.849 bonds (distance) P-C4' energy: -171.517 flat angles C4'-P-C4' energy: -181.887 flat angles P-C4'-P energy: -106.741 tors. eta vs tors. theta energy: -155.357 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: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1993.168120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.168120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.168120 (E_RNA) where: Base-Base interactions energy: -1245.883 where: short stacking energy: -571.992 Base-Backbone interact. energy: -2.436 local terms energy: -744.849207 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -162.450 flat angles C4'-P-C4' energy: -179.989 flat angles P-C4'-P energy: -116.979 tors. eta vs tors. theta energy: -140.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2031.389604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.389604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.389604 (E_RNA) where: Base-Base interactions energy: -1277.824 where: short stacking energy: -591.203 Base-Backbone interact. energy: 0.654 local terms energy: -754.219358 where: bonds (distance) C4'-P energy: -178.724 bonds (distance) P-C4' energy: -161.603 flat angles C4'-P-C4' energy: -169.811 flat angles P-C4'-P energy: -106.195 tors. eta vs tors. theta energy: -137.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1632.265475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.265475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.265475 (E_RNA) where: Base-Base interactions energy: -984.381 where: short stacking energy: -480.786 Base-Backbone interact. energy: 1.526 local terms energy: -649.410975 where: bonds (distance) C4'-P energy: -150.852 bonds (distance) P-C4' energy: -147.268 flat angles C4'-P-C4' energy: -146.235 flat angles P-C4'-P energy: -115.403 tors. eta vs tors. theta energy: -89.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1346.378283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.378283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.378283 (E_RNA) where: Base-Base interactions energy: -780.970 where: short stacking energy: -383.767 Base-Backbone interact. energy: 1.215 local terms energy: -566.623124 where: bonds (distance) C4'-P energy: -157.892 bonds (distance) P-C4' energy: -161.137 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -44.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -729.399542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.399542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.399542 (E_RNA) where: Base-Base interactions energy: -271.458 where: short stacking energy: -204.041 Base-Backbone interact. energy: 2.101 local terms energy: -460.043095 where: bonds (distance) C4'-P energy: -137.679 bonds (distance) P-C4' energy: -164.021 flat angles C4'-P-C4' energy: -124.830 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: 44.302 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: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -827.827271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.827271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.827271 (E_RNA) where: Base-Base interactions energy: -340.127 where: short stacking energy: -213.230 Base-Backbone interact. energy: -0.020 local terms energy: -487.679412 where: bonds (distance) C4'-P energy: -153.261 bonds (distance) P-C4' energy: -145.273 flat angles C4'-P-C4' energy: -135.567 flat angles P-C4'-P energy: -67.793 tors. eta vs tors. theta energy: 14.214 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: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2755.011140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.011140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.011140 (E_RNA) where: Base-Base interactions energy: -1805.260 where: short stacking energy: -827.329 Base-Backbone interact. energy: 3.889 local terms energy: -953.640208 where: bonds (distance) C4'-P energy: -191.501 bonds (distance) P-C4' energy: -193.157 flat angles C4'-P-C4' energy: -211.505 flat angles P-C4'-P energy: -144.445 tors. eta vs tors. theta energy: -213.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2653.881733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.881733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.881733 (E_RNA) where: Base-Base interactions energy: -1773.067 where: short stacking energy: -792.235 Base-Backbone interact. energy: -4.195 local terms energy: -876.620148 where: bonds (distance) C4'-P energy: -181.640 bonds (distance) P-C4' energy: -155.100 flat angles C4'-P-C4' energy: -195.233 flat angles P-C4'-P energy: -129.770 tors. eta vs tors. theta energy: -214.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2518.242948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.242948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.242948 (E_RNA) where: Base-Base interactions energy: -1661.619 where: short stacking energy: -775.479 Base-Backbone interact. energy: -2.211 local terms energy: -854.412851 where: bonds (distance) C4'-P energy: -173.181 bonds (distance) P-C4' energy: -156.868 flat angles C4'-P-C4' energy: -183.638 flat angles P-C4'-P energy: -143.064 tors. eta vs tors. theta energy: -197.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2314.075245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.075245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.075245 (E_RNA) where: Base-Base interactions energy: -1526.974 where: short stacking energy: -681.938 Base-Backbone interact. energy: -3.961 local terms energy: -783.139752 where: bonds (distance) C4'-P energy: -165.510 bonds (distance) P-C4' energy: -161.701 flat angles C4'-P-C4' energy: -182.833 flat angles P-C4'-P energy: -107.142 tors. eta vs tors. theta energy: -165.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2113.311607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.311607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.311607 (E_RNA) where: Base-Base interactions energy: -1319.251 where: short stacking energy: -611.680 Base-Backbone interact. energy: 0.229 local terms energy: -794.289837 where: bonds (distance) C4'-P energy: -177.555 bonds (distance) P-C4' energy: -158.582 flat angles C4'-P-C4' energy: -184.904 flat angles P-C4'-P energy: -119.693 tors. eta vs tors. theta energy: -153.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1846.818809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.818809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.818809 (E_RNA) where: Base-Base interactions energy: -1189.314 where: short stacking energy: -541.718 Base-Backbone interact. energy: 5.335 local terms energy: -662.839715 where: bonds (distance) C4'-P energy: -152.519 bonds (distance) P-C4' energy: -142.049 flat angles C4'-P-C4' energy: -168.872 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -112.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1647.249462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.249462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.249462 (E_RNA) where: Base-Base interactions energy: -983.361 where: short stacking energy: -495.345 Base-Backbone interact. energy: -3.837 local terms energy: -660.052074 where: bonds (distance) C4'-P energy: -154.341 bonds (distance) P-C4' energy: -148.215 flat angles C4'-P-C4' energy: -159.290 flat angles P-C4'-P energy: -103.924 tors. eta vs tors. theta energy: -94.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1366.257306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.257306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.257306 (E_RNA) where: Base-Base interactions energy: -775.014 where: short stacking energy: -355.285 Base-Backbone interact. energy: 5.476 local terms energy: -596.718900 where: bonds (distance) C4'-P energy: -135.941 bonds (distance) P-C4' energy: -174.095 flat angles C4'-P-C4' energy: -148.689 flat angles P-C4'-P energy: -94.533 tors. eta vs tors. theta energy: -43.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -812.922285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.922285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.922285 (E_RNA) where: Base-Base interactions energy: -334.608 where: short stacking energy: -225.870 Base-Backbone interact. energy: -1.423 local terms energy: -476.891677 where: bonds (distance) C4'-P energy: -139.003 bonds (distance) P-C4' energy: -158.760 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -70.953 tors. eta vs tors. theta energy: 25.720 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: 80 Temperature: 1.350000 Total energy: -699.141413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.141413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.141413 (E_RNA) where: Base-Base interactions energy: -257.900 where: short stacking energy: -203.358 Base-Backbone interact. energy: -0.469 local terms energy: -440.772612 where: bonds (distance) C4'-P energy: -144.775 bonds (distance) P-C4' energy: -137.635 flat angles C4'-P-C4' energy: -146.213 flat angles P-C4'-P energy: -43.985 tors. eta vs tors. theta energy: 31.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2750.951365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.951365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.951365 (E_RNA) where: Base-Base interactions energy: -1863.605 where: short stacking energy: -831.860 Base-Backbone interact. energy: 1.370 local terms energy: -888.716786 where: bonds (distance) C4'-P energy: -174.007 bonds (distance) P-C4' energy: -187.066 flat angles C4'-P-C4' energy: -193.467 flat angles P-C4'-P energy: -120.990 tors. eta vs tors. theta energy: -213.187 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: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2692.323215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.323215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.323215 (E_RNA) where: Base-Base interactions energy: -1809.255 where: short stacking energy: -798.017 Base-Backbone interact. energy: 1.046 local terms energy: -884.114021 where: bonds (distance) C4'-P energy: -178.176 bonds (distance) P-C4' energy: -182.660 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -110.088 tors. eta vs tors. theta energy: -221.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2552.803093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.803093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.803093 (E_RNA) where: Base-Base interactions energy: -1711.062 where: short stacking energy: -745.665 Base-Backbone interact. energy: 2.222 local terms energy: -843.963277 where: bonds (distance) C4'-P energy: -163.935 bonds (distance) P-C4' energy: -169.639 flat angles C4'-P-C4' energy: -193.800 flat angles P-C4'-P energy: -114.803 tors. eta vs tors. theta energy: -201.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2266.285957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.285957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.285957 (E_RNA) where: Base-Base interactions energy: -1467.736 where: short stacking energy: -665.418 Base-Backbone interact. energy: -5.628 local terms energy: -792.921457 where: bonds (distance) C4'-P energy: -143.779 bonds (distance) P-C4' energy: -166.002 flat angles C4'-P-C4' energy: -197.807 flat angles P-C4'-P energy: -110.920 tors. eta vs tors. theta energy: -174.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2147.867266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.867266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.867266 (E_RNA) where: Base-Base interactions energy: -1381.843 where: short stacking energy: -597.978 Base-Backbone interact. energy: -0.769 local terms energy: -765.255348 where: bonds (distance) C4'-P energy: -169.666 bonds (distance) P-C4' energy: -169.875 flat angles C4'-P-C4' energy: -169.090 flat angles P-C4'-P energy: -98.447 tors. eta vs tors. theta energy: -158.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1935.303476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.303476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.303476 (E_RNA) where: Base-Base interactions energy: -1202.557 where: short stacking energy: -541.362 Base-Backbone interact. energy: 1.725 local terms energy: -734.471238 where: bonds (distance) C4'-P energy: -159.597 bonds (distance) P-C4' energy: -166.179 flat angles C4'-P-C4' energy: -171.262 flat angles P-C4'-P energy: -109.872 tors. eta vs tors. theta energy: -127.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1635.600180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.600180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.600180 (E_RNA) where: Base-Base interactions energy: -971.122 where: short stacking energy: -465.681 Base-Backbone interact. energy: -0.873 local terms energy: -663.605423 where: bonds (distance) C4'-P energy: -149.412 bonds (distance) P-C4' energy: -156.665 flat angles C4'-P-C4' energy: -159.453 flat angles P-C4'-P energy: -106.194 tors. eta vs tors. theta energy: -91.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1388.688822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.688822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.688822 (E_RNA) where: Base-Base interactions energy: -753.274 where: short stacking energy: -388.968 Base-Backbone interact. energy: -5.231 local terms energy: -630.183566 where: bonds (distance) C4'-P energy: -151.280 bonds (distance) P-C4' energy: -169.421 flat angles C4'-P-C4' energy: -149.415 flat angles P-C4'-P energy: -91.262 tors. eta vs tors. theta energy: -68.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -850.156651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.156651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.156651 (E_RNA) where: Base-Base interactions energy: -372.660 where: short stacking energy: -250.065 Base-Backbone interact. energy: 3.626 local terms energy: -481.122888 where: bonds (distance) C4'-P energy: -160.296 bonds (distance) P-C4' energy: -141.988 flat angles C4'-P-C4' energy: -107.425 flat angles P-C4'-P energy: -88.207 tors. eta vs tors. theta energy: 16.793 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: 81 Temperature: 1.350000 Total energy: -683.612487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.612487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.612487 (E_RNA) where: Base-Base interactions energy: -235.538 where: short stacking energy: -193.695 Base-Backbone interact. energy: 7.339 local terms energy: -455.413574 where: bonds (distance) C4'-P energy: -158.917 bonds (distance) P-C4' energy: -144.591 flat angles C4'-P-C4' energy: -120.498 flat angles P-C4'-P energy: -79.197 tors. eta vs tors. theta energy: 47.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2752.594580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.594580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.594580 (E_RNA) where: Base-Base interactions energy: -1871.266 where: short stacking energy: -821.785 Base-Backbone interact. energy: -1.149 local terms energy: -880.179233 where: bonds (distance) C4'-P energy: -161.621 bonds (distance) P-C4' energy: -172.337 flat angles C4'-P-C4' energy: -186.254 flat angles P-C4'-P energy: -136.863 tors. eta vs tors. theta energy: -223.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2682.588921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.588921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.588921 (E_RNA) where: Base-Base interactions energy: -1791.754 where: short stacking energy: -782.412 Base-Backbone interact. energy: -1.330 local terms energy: -889.504632 where: bonds (distance) C4'-P energy: -188.332 bonds (distance) P-C4' energy: -165.725 flat angles C4'-P-C4' energy: -209.221 flat angles P-C4'-P energy: -113.599 tors. eta vs tors. theta energy: -212.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2658.517915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.517915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.517915 (E_RNA) where: Base-Base interactions energy: -1758.205 where: short stacking energy: -809.837 Base-Backbone interact. energy: -3.757 local terms energy: -896.556093 where: bonds (distance) C4'-P energy: -184.845 bonds (distance) P-C4' energy: -182.482 flat angles C4'-P-C4' energy: -193.833 flat angles P-C4'-P energy: -116.567 tors. eta vs tors. theta energy: -218.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2272.177515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.177515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.177515 (E_RNA) where: Base-Base interactions energy: -1504.323 where: short stacking energy: -659.416 Base-Backbone interact. energy: 4.490 local terms energy: -772.344712 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -167.118 flat angles C4'-P-C4' energy: -164.308 flat angles P-C4'-P energy: -113.155 tors. eta vs tors. theta energy: -179.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2202.054025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.054025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.054025 (E_RNA) where: Base-Base interactions energy: -1448.008 where: short stacking energy: -671.617 Base-Backbone interact. energy: 3.642 local terms energy: -757.687991 where: bonds (distance) C4'-P energy: -156.795 bonds (distance) P-C4' energy: -151.137 flat angles C4'-P-C4' energy: -181.556 flat angles P-C4'-P energy: -113.027 tors. eta vs tors. theta energy: -155.173 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: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1948.877080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.877080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.877080 (E_RNA) where: Base-Base interactions energy: -1202.837 where: short stacking energy: -581.840 Base-Backbone interact. energy: 1.286 local terms energy: -747.326393 where: bonds (distance) C4'-P energy: -172.205 bonds (distance) P-C4' energy: -157.629 flat angles C4'-P-C4' energy: -181.481 flat angles P-C4'-P energy: -102.987 tors. eta vs tors. theta energy: -133.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1581.608067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.608067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.608067 (E_RNA) where: Base-Base interactions energy: -934.720 where: short stacking energy: -460.797 Base-Backbone interact. energy: -3.627 local terms energy: -643.261225 where: bonds (distance) C4'-P energy: -150.803 bonds (distance) P-C4' energy: -155.672 flat angles C4'-P-C4' energy: -170.325 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -94.148 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: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1294.893277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.893277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.893277 (E_RNA) where: Base-Base interactions energy: -717.739 where: short stacking energy: -361.174 Base-Backbone interact. energy: 4.503 local terms energy: -581.657021 where: bonds (distance) C4'-P energy: -133.181 bonds (distance) P-C4' energy: -157.926 flat angles C4'-P-C4' energy: -135.817 flat angles P-C4'-P energy: -94.757 tors. eta vs tors. theta energy: -59.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -881.123531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.123531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.123531 (E_RNA) where: Base-Base interactions energy: -354.959 where: short stacking energy: -261.682 Base-Backbone interact. energy: 6.096 local terms energy: -532.259567 where: bonds (distance) C4'-P energy: -159.723 bonds (distance) P-C4' energy: -148.550 flat angles C4'-P-C4' energy: -119.359 flat angles P-C4'-P energy: -106.243 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: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -723.858098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.858098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.858098 (E_RNA) where: Base-Base interactions energy: -305.276 where: short stacking energy: -211.897 Base-Backbone interact. energy: 6.583 local terms energy: -425.165180 where: bonds (distance) C4'-P energy: -111.824 bonds (distance) P-C4' energy: -148.498 flat angles C4'-P-C4' energy: -115.563 flat angles P-C4'-P energy: -81.735 tors. eta vs tors. theta energy: 32.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2742.795513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.795513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.795513 (E_RNA) where: Base-Base interactions energy: -1852.268 where: short stacking energy: -808.684 Base-Backbone interact. energy: -0.869 local terms energy: -889.658435 where: bonds (distance) C4'-P energy: -153.087 bonds (distance) P-C4' energy: -189.856 flat angles C4'-P-C4' energy: -200.291 flat angles P-C4'-P energy: -124.273 tors. eta vs tors. theta energy: -222.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2677.774780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.774780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.774780 (E_RNA) where: Base-Base interactions energy: -1739.326 where: short stacking energy: -758.186 Base-Backbone interact. energy: -4.273 local terms energy: -934.175548 where: bonds (distance) C4'-P energy: -185.473 bonds (distance) P-C4' energy: -182.822 flat angles C4'-P-C4' energy: -212.755 flat angles P-C4'-P energy: -141.576 tors. eta vs tors. theta energy: -211.549 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: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2626.876321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.876321 (E_RNA) where: Base-Base interactions energy: -1742.906 where: short stacking energy: -770.066 Base-Backbone interact. energy: -0.438 local terms energy: -883.532858 where: bonds (distance) C4'-P energy: -159.156 bonds (distance) P-C4' energy: -162.754 flat angles C4'-P-C4' energy: -208.332 flat angles P-C4'-P energy: -130.687 tors. eta vs tors. theta energy: -222.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2226.515364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.515364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.515364 (E_RNA) where: Base-Base interactions energy: -1422.153 where: short stacking energy: -637.388 Base-Backbone interact. energy: -3.798 local terms energy: -800.564424 where: bonds (distance) C4'-P energy: -163.822 bonds (distance) P-C4' energy: -185.283 flat angles C4'-P-C4' energy: -179.892 flat angles P-C4'-P energy: -105.292 tors. eta vs tors. theta energy: -166.275 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: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2135.457688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.457688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.457688 (E_RNA) where: Base-Base interactions energy: -1378.064 where: short stacking energy: -624.900 Base-Backbone interact. energy: 1.400 local terms energy: -758.794023 where: bonds (distance) C4'-P energy: -167.539 bonds (distance) P-C4' energy: -174.645 flat angles C4'-P-C4' energy: -169.218 flat angles P-C4'-P energy: -96.012 tors. eta vs tors. theta energy: -151.379 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: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1843.670806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.670806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.670806 (E_RNA) where: Base-Base interactions energy: -1178.397 where: short stacking energy: -527.683 Base-Backbone interact. energy: 5.133 local terms energy: -670.407271 where: bonds (distance) C4'-P energy: -156.670 bonds (distance) P-C4' energy: -157.041 flat angles C4'-P-C4' energy: -154.471 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -108.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1590.343620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.343620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.343620 (E_RNA) where: Base-Base interactions energy: -926.752 where: short stacking energy: -459.935 Base-Backbone interact. energy: -2.707 local terms energy: -660.884686 where: bonds (distance) C4'-P energy: -172.700 bonds (distance) P-C4' energy: -159.401 flat angles C4'-P-C4' energy: -147.562 flat angles P-C4'-P energy: -88.621 tors. eta vs tors. theta energy: -92.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1266.460673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.460673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.460673 (E_RNA) where: Base-Base interactions energy: -681.985 where: short stacking energy: -329.086 Base-Backbone interact. energy: 0.293 local terms energy: -584.769527 where: bonds (distance) C4'-P energy: -156.148 bonds (distance) P-C4' energy: -158.387 flat angles C4'-P-C4' energy: -142.003 flat angles P-C4'-P energy: -92.228 tors. eta vs tors. theta energy: -36.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -828.567770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.567770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.567770 (E_RNA) where: Base-Base interactions energy: -322.961 where: short stacking energy: -201.413 Base-Backbone interact. energy: 6.411 local terms energy: -512.017503 where: bonds (distance) C4'-P energy: -143.588 bonds (distance) P-C4' energy: -159.470 flat angles C4'-P-C4' energy: -149.043 flat angles P-C4'-P energy: -90.137 tors. eta vs tors. theta energy: 30.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -743.082017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.082017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.082017 (E_RNA) where: Base-Base interactions energy: -315.237 where: short stacking energy: -201.493 Base-Backbone interact. energy: -2.063 local terms energy: -425.782149 where: bonds (distance) C4'-P energy: -138.403 bonds (distance) P-C4' energy: -158.448 flat angles C4'-P-C4' energy: -111.755 flat angles P-C4'-P energy: -64.727 tors. eta vs tors. theta energy: 47.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2777.255036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.255036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.255036 (E_RNA) where: Base-Base interactions energy: -1854.885 where: short stacking energy: -839.273 Base-Backbone interact. energy: 2.329 local terms energy: -924.699305 where: bonds (distance) C4'-P energy: -172.258 bonds (distance) P-C4' energy: -183.493 flat angles C4'-P-C4' energy: -203.368 flat angles P-C4'-P energy: -130.808 tors. eta vs tors. theta energy: -234.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2633.276677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.276677 (E_RNA) where: Base-Base interactions energy: -1754.464 where: short stacking energy: -760.845 Base-Backbone interact. energy: -3.546 local terms energy: -875.266300 where: bonds (distance) C4'-P energy: -172.934 bonds (distance) P-C4' energy: -186.197 flat angles C4'-P-C4' energy: -184.547 flat angles P-C4'-P energy: -123.930 tors. eta vs tors. theta energy: -207.658 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: 84 Temperature: 1.000000 Total energy: -2618.977878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.977878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.977878 (E_RNA) where: Base-Base interactions energy: -1725.449 where: short stacking energy: -785.976 Base-Backbone interact. energy: -2.590 local terms energy: -890.938944 where: bonds (distance) C4'-P energy: -161.532 bonds (distance) P-C4' energy: -195.169 flat angles C4'-P-C4' energy: -202.926 flat angles P-C4'-P energy: -124.069 tors. eta vs tors. theta energy: -207.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2211.813496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.813496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.813496 (E_RNA) where: Base-Base interactions energy: -1403.312 where: short stacking energy: -648.264 Base-Backbone interact. energy: 0.272 local terms energy: -808.774095 where: bonds (distance) C4'-P energy: -154.295 bonds (distance) P-C4' energy: -177.937 flat angles C4'-P-C4' energy: -185.025 flat angles P-C4'-P energy: -121.393 tors. eta vs tors. theta energy: -170.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2157.525621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.525621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.525621 (E_RNA) where: Base-Base interactions energy: -1377.921 where: short stacking energy: -631.824 Base-Backbone interact. energy: -0.343 local terms energy: -779.261506 where: bonds (distance) C4'-P energy: -163.246 bonds (distance) P-C4' energy: -161.706 flat angles C4'-P-C4' energy: -165.203 flat angles P-C4'-P energy: -123.071 tors. eta vs tors. theta energy: -166.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1790.787531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.787531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.787531 (E_RNA) where: Base-Base interactions energy: -1109.396 where: short stacking energy: -527.997 Base-Backbone interact. energy: -2.468 local terms energy: -678.923717 where: bonds (distance) C4'-P energy: -157.015 bonds (distance) P-C4' energy: -172.835 flat angles C4'-P-C4' energy: -150.773 flat angles P-C4'-P energy: -92.281 tors. eta vs tors. theta energy: -106.019 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1592.962355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.962355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.962355 (E_RNA) where: Base-Base interactions energy: -937.851 where: short stacking energy: -471.491 Base-Backbone interact. energy: -3.728 local terms energy: -651.383334 where: bonds (distance) C4'-P energy: -147.988 bonds (distance) P-C4' energy: -151.976 flat angles C4'-P-C4' energy: -159.598 flat angles P-C4'-P energy: -78.828 tors. eta vs tors. theta energy: -112.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1303.042138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.042138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.042138 (E_RNA) where: Base-Base interactions energy: -737.776 where: short stacking energy: -413.506 Base-Backbone interact. energy: -0.505 local terms energy: -564.760319 where: bonds (distance) C4'-P energy: -161.087 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -111.030 flat angles P-C4'-P energy: -87.472 tors. eta vs tors. theta energy: -52.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -841.436916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.436916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.436916 (E_RNA) where: Base-Base interactions energy: -357.662 where: short stacking energy: -227.361 Base-Backbone interact. energy: 0.166 local terms energy: -483.940328 where: bonds (distance) C4'-P energy: -144.306 bonds (distance) P-C4' energy: -154.410 flat angles C4'-P-C4' energy: -123.807 flat angles P-C4'-P energy: -92.749 tors. eta vs tors. theta energy: 31.332 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: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -710.547868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.547868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.547868 (E_RNA) where: Base-Base interactions energy: -258.251 where: short stacking energy: -186.922 Base-Backbone interact. energy: 8.993 local terms energy: -461.289422 where: bonds (distance) C4'-P energy: -119.683 bonds (distance) P-C4' energy: -162.303 flat angles C4'-P-C4' energy: -129.961 flat angles P-C4'-P energy: -89.349 tors. eta vs tors. theta energy: 40.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2813.576129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.576129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.576129 (E_RNA) where: Base-Base interactions energy: -1883.138 where: short stacking energy: -862.022 Base-Backbone interact. energy: -1.118 local terms energy: -929.319394 where: bonds (distance) C4'-P energy: -174.598 bonds (distance) P-C4' energy: -176.069 flat angles C4'-P-C4' energy: -200.804 flat angles P-C4'-P energy: -138.098 tors. eta vs tors. theta energy: -239.749 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: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2646.928947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.928947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.928947 (E_RNA) where: Base-Base interactions energy: -1717.774 where: short stacking energy: -774.112 Base-Backbone interact. energy: -0.856 local terms energy: -928.299238 where: bonds (distance) C4'-P energy: -188.383 bonds (distance) P-C4' energy: -171.103 flat angles C4'-P-C4' energy: -206.290 flat angles P-C4'-P energy: -150.295 tors. eta vs tors. theta energy: -212.229 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: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2667.725704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.725704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.725704 (E_RNA) where: Base-Base interactions energy: -1750.980 where: short stacking energy: -800.601 Base-Backbone interact. energy: 3.710 local terms energy: -920.455403 where: bonds (distance) C4'-P energy: -170.138 bonds (distance) P-C4' energy: -183.721 flat angles C4'-P-C4' energy: -195.441 flat angles P-C4'-P energy: -132.116 tors. eta vs tors. theta energy: -239.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2266.142817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.142817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.142817 (E_RNA) where: Base-Base interactions energy: -1425.597 where: short stacking energy: -649.303 Base-Backbone interact. energy: -3.421 local terms energy: -837.125044 where: bonds (distance) C4'-P energy: -174.658 bonds (distance) P-C4' energy: -187.568 flat angles C4'-P-C4' energy: -181.879 flat angles P-C4'-P energy: -132.387 tors. eta vs tors. theta energy: -160.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2126.865160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.865160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.865160 (E_RNA) where: Base-Base interactions energy: -1400.295 where: short stacking energy: -658.877 Base-Backbone interact. energy: 0.929 local terms energy: -727.498421 where: bonds (distance) C4'-P energy: -136.924 bonds (distance) P-C4' energy: -155.557 flat angles C4'-P-C4' energy: -159.593 flat angles P-C4'-P energy: -107.374 tors. eta vs tors. theta energy: -168.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1899.262288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.262288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.262288 (E_RNA) where: Base-Base interactions energy: -1194.753 where: short stacking energy: -588.609 Base-Backbone interact. energy: -1.372 local terms energy: -703.137549 where: bonds (distance) C4'-P energy: -133.765 bonds (distance) P-C4' energy: -160.251 flat angles C4'-P-C4' energy: -178.438 flat angles P-C4'-P energy: -99.117 tors. eta vs tors. theta energy: -131.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1633.843811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.843811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.843811 (E_RNA) where: Base-Base interactions energy: -970.968 where: short stacking energy: -452.121 Base-Backbone interact. energy: 1.866 local terms energy: -664.741822 where: bonds (distance) C4'-P energy: -150.553 bonds (distance) P-C4' energy: -153.607 flat angles C4'-P-C4' energy: -152.313 flat angles P-C4'-P energy: -100.144 tors. eta vs tors. theta energy: -108.126 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: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1351.365853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.365853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.365853 (E_RNA) where: Base-Base interactions energy: -766.581 where: short stacking energy: -406.832 Base-Backbone interact. energy: -0.231 local terms energy: -584.553849 where: bonds (distance) C4'-P energy: -138.006 bonds (distance) P-C4' energy: -169.832 flat angles C4'-P-C4' energy: -135.235 flat angles P-C4'-P energy: -93.751 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: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -840.800671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.800671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.800671 (E_RNA) where: Base-Base interactions energy: -365.037 where: short stacking energy: -238.892 Base-Backbone interact. energy: -1.127 local terms energy: -474.636598 where: bonds (distance) C4'-P energy: -127.310 bonds (distance) P-C4' energy: -158.147 flat angles C4'-P-C4' energy: -133.281 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: 13.439 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: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -732.516276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.516276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.516276 (E_RNA) where: Base-Base interactions energy: -243.973 where: short stacking energy: -173.197 Base-Backbone interact. energy: -2.270 local terms energy: -486.272641 where: bonds (distance) C4'-P energy: -168.583 bonds (distance) P-C4' energy: -163.993 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: 39.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2835.595540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.595540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.595540 (E_RNA) where: Base-Base interactions energy: -1884.006 where: short stacking energy: -813.495 Base-Backbone interact. energy: -1.577 local terms energy: -950.012252 where: bonds (distance) C4'-P energy: -191.738 bonds (distance) P-C4' energy: -197.402 flat angles C4'-P-C4' energy: -193.464 flat angles P-C4'-P energy: -136.420 tors. eta vs tors. theta energy: -230.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2648.567242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.567242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.567242 (E_RNA) where: Base-Base interactions energy: -1763.823 where: short stacking energy: -773.742 Base-Backbone interact. energy: -0.369 local terms energy: -884.375241 where: bonds (distance) C4'-P energy: -168.492 bonds (distance) P-C4' energy: -186.217 flat angles C4'-P-C4' energy: -191.872 flat angles P-C4'-P energy: -123.154 tors. eta vs tors. theta energy: -214.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2638.577138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.577138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.577138 (E_RNA) where: Base-Base interactions energy: -1756.963 where: short stacking energy: -771.361 Base-Backbone interact. energy: 1.168 local terms energy: -882.782250 where: bonds (distance) C4'-P energy: -152.871 bonds (distance) P-C4' energy: -178.826 flat angles C4'-P-C4' energy: -207.141 flat angles P-C4'-P energy: -126.496 tors. eta vs tors. theta energy: -217.448 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: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2243.376356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.376356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.376356 (E_RNA) where: Base-Base interactions energy: -1473.318 where: short stacking energy: -659.790 Base-Backbone interact. energy: -3.369 local terms energy: -766.688918 where: bonds (distance) C4'-P energy: -161.725 bonds (distance) P-C4' energy: -161.942 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -110.483 tors. eta vs tors. theta energy: -162.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2124.532092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.532092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.532092 (E_RNA) where: Base-Base interactions energy: -1343.172 where: short stacking energy: -620.560 Base-Backbone interact. energy: -1.860 local terms energy: -779.500217 where: bonds (distance) C4'-P energy: -168.864 bonds (distance) P-C4' energy: -172.409 flat angles C4'-P-C4' energy: -179.768 flat angles P-C4'-P energy: -105.447 tors. eta vs tors. theta energy: -153.013 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: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1907.362485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.362485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.362485 (E_RNA) where: Base-Base interactions energy: -1198.185 where: short stacking energy: -539.242 Base-Backbone interact. energy: -1.848 local terms energy: -707.330149 where: bonds (distance) C4'-P energy: -140.689 bonds (distance) P-C4' energy: -177.878 flat angles C4'-P-C4' energy: -164.381 flat angles P-C4'-P energy: -119.233 tors. eta vs tors. theta energy: -105.149 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: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1659.870837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.870837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.870837 (E_RNA) where: Base-Base interactions energy: -1018.896 where: short stacking energy: -499.253 Base-Backbone interact. energy: -4.526 local terms energy: -636.449175 where: bonds (distance) C4'-P energy: -146.423 bonds (distance) P-C4' energy: -147.377 flat angles C4'-P-C4' energy: -144.322 flat angles P-C4'-P energy: -106.972 tors. eta vs tors. theta energy: -91.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1341.565358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.565358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.565358 (E_RNA) where: Base-Base interactions energy: -769.632 where: short stacking energy: -391.747 Base-Backbone interact. energy: -1.571 local terms energy: -570.361800 where: bonds (distance) C4'-P energy: -130.110 bonds (distance) P-C4' energy: -157.592 flat angles C4'-P-C4' energy: -159.190 flat angles P-C4'-P energy: -76.957 tors. eta vs tors. theta energy: -46.513 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: 86 Temperature: 1.300000 Total energy: -843.892400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.892400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.892400 (E_RNA) where: Base-Base interactions energy: -366.755 where: short stacking energy: -226.975 Base-Backbone interact. energy: -3.293 local terms energy: -473.844432 where: bonds (distance) C4'-P energy: -123.635 bonds (distance) P-C4' energy: -152.965 flat angles C4'-P-C4' energy: -133.794 flat angles P-C4'-P energy: -70.395 tors. eta vs tors. theta energy: 6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -715.307456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.307456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.307456 (E_RNA) where: Base-Base interactions energy: -280.116 where: short stacking energy: -202.675 Base-Backbone interact. energy: 2.009 local terms energy: -437.200175 where: bonds (distance) C4'-P energy: -151.735 bonds (distance) P-C4' energy: -147.304 flat angles C4'-P-C4' energy: -107.461 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: 39.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2848.025126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.025126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.025126 (E_RNA) where: Base-Base interactions energy: -1927.767 where: short stacking energy: -862.352 Base-Backbone interact. energy: 0.611 local terms energy: -920.870022 where: bonds (distance) C4'-P energy: -177.171 bonds (distance) P-C4' energy: -168.198 flat angles C4'-P-C4' energy: -199.680 flat angles P-C4'-P energy: -146.157 tors. eta vs tors. theta energy: -229.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2743.826586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.826586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.826586 (E_RNA) where: Base-Base interactions energy: -1840.139 where: short stacking energy: -835.043 Base-Backbone interact. energy: -2.916 local terms energy: -900.771538 where: bonds (distance) C4'-P energy: -181.316 bonds (distance) P-C4' energy: -175.536 flat angles C4'-P-C4' energy: -196.799 flat angles P-C4'-P energy: -120.597 tors. eta vs tors. theta energy: -226.523 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: 3, replica: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2544.944339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.944339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.944339 (E_RNA) where: Base-Base interactions energy: -1702.373 where: short stacking energy: -723.662 Base-Backbone interact. energy: -0.816 local terms energy: -841.754743 where: bonds (distance) C4'-P energy: -171.167 bonds (distance) P-C4' energy: -174.211 flat angles C4'-P-C4' energy: -182.783 flat angles P-C4'-P energy: -117.367 tors. eta vs tors. theta energy: -196.227 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: 87 Temperature: 1.050000 Total energy: -2278.810052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.810052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.810052 (E_RNA) where: Base-Base interactions energy: -1493.311 where: short stacking energy: -662.281 Base-Backbone interact. energy: -3.554 local terms energy: -781.944898 where: bonds (distance) C4'-P energy: -162.812 bonds (distance) P-C4' energy: -159.398 flat angles C4'-P-C4' energy: -194.102 flat angles P-C4'-P energy: -106.112 tors. eta vs tors. theta energy: -159.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2026.750044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.750044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.750044 (E_RNA) where: Base-Base interactions energy: -1247.602 where: short stacking energy: -567.311 Base-Backbone interact. energy: -2.210 local terms energy: -776.938771 where: bonds (distance) C4'-P energy: -178.895 bonds (distance) P-C4' energy: -180.099 flat angles C4'-P-C4' energy: -159.309 flat angles P-C4'-P energy: -120.222 tors. eta vs tors. theta energy: -138.414 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: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1842.884182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.884182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.884182 (E_RNA) where: Base-Base interactions energy: -1160.826 where: short stacking energy: -533.203 Base-Backbone interact. energy: 2.922 local terms energy: -684.980130 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -166.911 flat angles C4'-P-C4' energy: -173.525 flat angles P-C4'-P energy: -97.369 tors. eta vs tors. theta energy: -104.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1664.508849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.508849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.508849 (E_RNA) where: Base-Base interactions energy: -974.901 where: short stacking energy: -471.037 Base-Backbone interact. energy: 0.172 local terms energy: -689.779386 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -171.546 flat angles C4'-P-C4' energy: -147.210 flat angles P-C4'-P energy: -110.806 tors. eta vs tors. theta energy: -107.393 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: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1329.193943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.193943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.193943 (E_RNA) where: Base-Base interactions energy: -741.583 where: short stacking energy: -377.746 Base-Backbone interact. energy: 6.387 local terms energy: -593.998627 where: bonds (distance) C4'-P energy: -153.693 bonds (distance) P-C4' energy: -156.405 flat angles C4'-P-C4' energy: -134.509 flat angles P-C4'-P energy: -107.360 tors. eta vs tors. theta energy: -42.032 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: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -863.035685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.035685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.035685 (E_RNA) where: Base-Base interactions energy: -340.018 where: short stacking energy: -234.967 Base-Backbone interact. energy: -0.279 local terms energy: -522.738096 where: bonds (distance) C4'-P energy: -150.931 bonds (distance) P-C4' energy: -153.303 flat angles C4'-P-C4' energy: -129.663 flat angles P-C4'-P energy: -92.851 tors. eta vs tors. theta energy: 4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -742.670014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.670014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.670014 (E_RNA) where: Base-Base interactions energy: -295.706 where: short stacking energy: -215.472 Base-Backbone interact. energy: 4.303 local terms energy: -451.266670 where: bonds (distance) C4'-P energy: -125.695 bonds (distance) P-C4' energy: -154.231 flat angles C4'-P-C4' energy: -138.266 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: 28.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2872.268917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.268917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.268917 (E_RNA) where: Base-Base interactions energy: -1930.888 where: short stacking energy: -847.467 Base-Backbone interact. energy: 0.432 local terms energy: -941.813433 where: bonds (distance) C4'-P energy: -180.600 bonds (distance) P-C4' energy: -183.625 flat angles C4'-P-C4' energy: -214.624 flat angles P-C4'-P energy: -130.731 tors. eta vs tors. theta energy: -232.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2830.093470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.093470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.093470 (E_RNA) where: Base-Base interactions energy: -1895.180 where: short stacking energy: -784.528 Base-Backbone interact. energy: -1.893 local terms energy: -933.019875 where: bonds (distance) C4'-P energy: -164.860 bonds (distance) P-C4' energy: -198.975 flat angles C4'-P-C4' energy: -197.208 flat angles P-C4'-P energy: -132.942 tors. eta vs tors. theta energy: -239.035 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: 3, replica: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2554.102379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.102379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.102379 (E_RNA) where: Base-Base interactions energy: -1716.710 where: short stacking energy: -731.668 Base-Backbone interact. energy: -0.520 local terms energy: -836.872044 where: bonds (distance) C4'-P energy: -156.649 bonds (distance) P-C4' energy: -176.582 flat angles C4'-P-C4' energy: -183.227 flat angles P-C4'-P energy: -117.959 tors. eta vs tors. theta energy: -202.456 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: 88 Temperature: 1.050000 Total energy: -2316.793193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.793193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.793193 (E_RNA) where: Base-Base interactions energy: -1509.327 where: short stacking energy: -667.099 Base-Backbone interact. energy: -2.148 local terms energy: -805.317635 where: bonds (distance) C4'-P energy: -182.983 bonds (distance) P-C4' energy: -165.817 flat angles C4'-P-C4' energy: -177.262 flat angles P-C4'-P energy: -115.321 tors. eta vs tors. theta energy: -163.935 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: 88 Temperature: 1.100000 Total energy: -1939.913428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.913428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.913428 (E_RNA) where: Base-Base interactions energy: -1197.268 where: short stacking energy: -537.762 Base-Backbone interact. energy: -1.163 local terms energy: -741.482366 where: bonds (distance) C4'-P energy: -177.659 bonds (distance) P-C4' energy: -164.005 flat angles C4'-P-C4' energy: -176.299 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -118.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1833.099150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.099150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.099150 (E_RNA) where: Base-Base interactions energy: -1139.263 where: short stacking energy: -540.536 Base-Backbone interact. energy: -0.015 local terms energy: -693.821599 where: bonds (distance) C4'-P energy: -156.611 bonds (distance) P-C4' energy: -156.063 flat angles C4'-P-C4' energy: -166.773 flat angles P-C4'-P energy: -93.693 tors. eta vs tors. theta energy: -120.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1654.486728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.486728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.486728 (E_RNA) where: Base-Base interactions energy: -979.475 where: short stacking energy: -475.513 Base-Backbone interact. energy: -1.666 local terms energy: -673.345558 where: bonds (distance) C4'-P energy: -172.009 bonds (distance) P-C4' energy: -135.345 flat angles C4'-P-C4' energy: -161.826 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -111.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1216.658248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.658248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.658248 (E_RNA) where: Base-Base interactions energy: -653.251 where: short stacking energy: -327.192 Base-Backbone interact. energy: 0.044 local terms energy: -563.451012 where: bonds (distance) C4'-P energy: -139.599 bonds (distance) P-C4' energy: -153.451 flat angles C4'-P-C4' energy: -160.176 flat angles P-C4'-P energy: -85.200 tors. eta vs tors. theta energy: -25.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -934.419450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.419450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.419450 (E_RNA) where: Base-Base interactions energy: -412.930 where: short stacking energy: -229.340 Base-Backbone interact. energy: -3.219 local terms energy: -518.270774 where: bonds (distance) C4'-P energy: -163.318 bonds (distance) P-C4' energy: -156.358 flat angles C4'-P-C4' energy: -127.300 flat angles P-C4'-P energy: -85.398 tors. eta vs tors. theta energy: 14.103 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: 88 Temperature: 1.350000 Total energy: -693.670304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.670304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.670304 (E_RNA) where: Base-Base interactions energy: -259.627 where: short stacking energy: -173.550 Base-Backbone interact. energy: -4.299 local terms energy: -429.744989 where: bonds (distance) C4'-P energy: -152.945 bonds (distance) P-C4' energy: -147.268 flat angles C4'-P-C4' energy: -126.429 flat angles P-C4'-P energy: -35.376 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: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2878.878220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.878220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.878220 (E_RNA) where: Base-Base interactions energy: -1929.655 where: short stacking energy: -846.773 Base-Backbone interact. energy: 1.783 local terms energy: -951.005580 where: bonds (distance) C4'-P energy: -180.260 bonds (distance) P-C4' energy: -180.085 flat angles C4'-P-C4' energy: -219.986 flat angles P-C4'-P energy: -136.992 tors. eta vs tors. theta energy: -233.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2806.622358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.622358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.622358 (E_RNA) where: Base-Base interactions energy: -1848.053 where: short stacking energy: -828.600 Base-Backbone interact. energy: -4.541 local terms energy: -954.028519 where: bonds (distance) C4'-P energy: -195.392 bonds (distance) P-C4' energy: -186.513 flat angles C4'-P-C4' energy: -202.432 flat angles P-C4'-P energy: -138.415 tors. eta vs tors. theta energy: -231.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2569.712647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.712647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.712647 (E_RNA) where: Base-Base interactions energy: -1715.405 where: short stacking energy: -768.090 Base-Backbone interact. energy: -0.223 local terms energy: -854.084556 where: bonds (distance) C4'-P energy: -162.135 bonds (distance) P-C4' energy: -194.796 flat angles C4'-P-C4' energy: -189.681 flat angles P-C4'-P energy: -102.119 tors. eta vs tors. theta energy: -205.353 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: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2376.047832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.047832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.047832 (E_RNA) where: Base-Base interactions energy: -1548.978 where: short stacking energy: -697.860 Base-Backbone interact. energy: -1.149 local terms energy: -825.921246 where: bonds (distance) C4'-P energy: -168.415 bonds (distance) P-C4' energy: -153.083 flat angles C4'-P-C4' energy: -183.296 flat angles P-C4'-P energy: -129.438 tors. eta vs tors. theta energy: -191.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1975.580006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.580006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.580006 (E_RNA) where: Base-Base interactions energy: -1252.989 where: short stacking energy: -569.822 Base-Backbone interact. energy: 0.183 local terms energy: -722.774764 where: bonds (distance) C4'-P energy: -152.571 bonds (distance) P-C4' energy: -168.369 flat angles C4'-P-C4' energy: -180.201 flat angles P-C4'-P energy: -97.053 tors. eta vs tors. theta energy: -124.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1763.946724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.946724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.946724 (E_RNA) where: Base-Base interactions energy: -1079.336 where: short stacking energy: -503.399 Base-Backbone interact. energy: 1.909 local terms energy: -686.520502 where: bonds (distance) C4'-P energy: -155.083 bonds (distance) P-C4' energy: -164.414 flat angles C4'-P-C4' energy: -158.164 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -102.790 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: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1685.739472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.739472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.739472 (E_RNA) where: Base-Base interactions energy: -1000.625 where: short stacking energy: -501.567 Base-Backbone interact. energy: -3.465 local terms energy: -681.649569 where: bonds (distance) C4'-P energy: -156.344 bonds (distance) P-C4' energy: -147.518 flat angles C4'-P-C4' energy: -153.590 flat angles P-C4'-P energy: -109.343 tors. eta vs tors. theta energy: -114.854 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: 89 Temperature: 1.250000 Total energy: -1188.718316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.718316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.718316 (E_RNA) where: Base-Base interactions energy: -618.715 where: short stacking energy: -329.457 Base-Backbone interact. energy: 0.371 local terms energy: -570.374374 where: bonds (distance) C4'-P energy: -149.495 bonds (distance) P-C4' energy: -167.578 flat angles C4'-P-C4' energy: -145.938 flat angles P-C4'-P energy: -77.309 tors. eta vs tors. theta energy: -30.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -879.957567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.957567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.957567 (E_RNA) where: Base-Base interactions energy: -376.693 where: short stacking energy: -249.744 Base-Backbone interact. energy: -3.037 local terms energy: -500.226807 where: bonds (distance) C4'-P energy: -153.491 bonds (distance) P-C4' energy: -153.230 flat angles C4'-P-C4' energy: -134.561 flat angles P-C4'-P energy: -62.753 tors. eta vs tors. theta energy: 3.808 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: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -702.349471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.349471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.349471 (E_RNA) where: Base-Base interactions energy: -236.052 where: short stacking energy: -182.918 Base-Backbone interact. energy: -0.280 local terms energy: -466.017356 where: bonds (distance) C4'-P energy: -149.439 bonds (distance) P-C4' energy: -162.772 flat angles C4'-P-C4' energy: -129.233 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: 39.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2844.110349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.110349 (E_RNA) where: Base-Base interactions energy: -1940.766 where: short stacking energy: -859.534 Base-Backbone interact. energy: -1.465 local terms energy: -901.879834 where: bonds (distance) C4'-P energy: -166.302 bonds (distance) P-C4' energy: -168.491 flat angles C4'-P-C4' energy: -209.416 flat angles P-C4'-P energy: -126.958 tors. eta vs tors. theta energy: -230.714 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: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2813.329821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.329821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.329821 (E_RNA) where: Base-Base interactions energy: -1894.043 where: short stacking energy: -829.764 Base-Backbone interact. energy: -1.553 local terms energy: -917.733723 where: bonds (distance) C4'-P energy: -172.163 bonds (distance) P-C4' energy: -179.454 flat angles C4'-P-C4' energy: -198.066 flat angles P-C4'-P energy: -130.754 tors. eta vs tors. theta energy: -237.297 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: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2669.457677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.457677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.457677 (E_RNA) where: Base-Base interactions energy: -1819.893 where: short stacking energy: -769.546 Base-Backbone interact. energy: 1.452 local terms energy: -851.016700 where: bonds (distance) C4'-P energy: -167.335 bonds (distance) P-C4' energy: -179.774 flat angles C4'-P-C4' energy: -168.251 flat angles P-C4'-P energy: -124.216 tors. eta vs tors. theta energy: -211.442 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: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2397.655548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.655548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.655548 (E_RNA) where: Base-Base interactions energy: -1564.277 where: short stacking energy: -706.955 Base-Backbone interact. energy: 0.468 local terms energy: -833.846477 where: bonds (distance) C4'-P energy: -168.975 bonds (distance) P-C4' energy: -169.156 flat angles C4'-P-C4' energy: -179.932 flat angles P-C4'-P energy: -126.593 tors. eta vs tors. theta energy: -189.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2108.774835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.774835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.774835 (E_RNA) where: Base-Base interactions energy: -1380.867 where: short stacking energy: -607.009 Base-Backbone interact. energy: -0.515 local terms energy: -727.392693 where: bonds (distance) C4'-P energy: -135.760 bonds (distance) P-C4' energy: -150.128 flat angles C4'-P-C4' energy: -173.461 flat angles P-C4'-P energy: -115.588 tors. eta vs tors. theta energy: -152.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1730.078110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.078110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.078110 (E_RNA) where: Base-Base interactions energy: -1038.134 where: short stacking energy: -574.011 Base-Backbone interact. energy: -1.276 local terms energy: -690.668550 where: bonds (distance) C4'-P energy: -154.318 bonds (distance) P-C4' energy: -152.975 flat angles C4'-P-C4' energy: -168.391 flat angles P-C4'-P energy: -78.747 tors. eta vs tors. theta energy: -136.237 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: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1676.918108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.918108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.918108 (E_RNA) where: Base-Base interactions energy: -1000.032 where: short stacking energy: -461.937 Base-Backbone interact. energy: 0.342 local terms energy: -677.228364 where: bonds (distance) C4'-P energy: -138.168 bonds (distance) P-C4' energy: -174.739 flat angles C4'-P-C4' energy: -165.342 flat angles P-C4'-P energy: -99.520 tors. eta vs tors. theta energy: -99.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1188.722581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.722581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.722581 (E_RNA) where: Base-Base interactions energy: -637.999 where: short stacking energy: -356.334 Base-Backbone interact. energy: -3.754 local terms energy: -546.969255 where: bonds (distance) C4'-P energy: -160.405 bonds (distance) P-C4' energy: -141.323 flat angles C4'-P-C4' energy: -139.876 flat angles P-C4'-P energy: -83.139 tors. eta vs tors. theta energy: -22.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -879.656849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.656849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.656849 (E_RNA) where: Base-Base interactions energy: -393.637 where: short stacking energy: -259.676 Base-Backbone interact. energy: -1.511 local terms energy: -484.508771 where: bonds (distance) C4'-P energy: -145.582 bonds (distance) P-C4' energy: -149.976 flat angles C4'-P-C4' energy: -100.118 flat angles P-C4'-P energy: -79.783 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -744.443887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.443887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.443887 (E_RNA) where: Base-Base interactions energy: -326.708 where: short stacking energy: -225.633 Base-Backbone interact. energy: -1.963 local terms energy: -415.773330 where: bonds (distance) C4'-P energy: -120.212 bonds (distance) P-C4' energy: -130.818 flat angles C4'-P-C4' energy: -96.695 flat angles P-C4'-P energy: -87.895 tors. eta vs tors. theta energy: 19.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2862.841022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.841022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.841022 (E_RNA) where: Base-Base interactions energy: -1921.500 where: short stacking energy: -851.920 Base-Backbone interact. energy: -0.656 local terms energy: -940.685357 where: bonds (distance) C4'-P energy: -178.117 bonds (distance) P-C4' energy: -196.118 flat angles C4'-P-C4' energy: -207.179 flat angles P-C4'-P energy: -125.757 tors. eta vs tors. theta energy: -233.515 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: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2753.708262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.708262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.708262 (E_RNA) where: Base-Base interactions energy: -1851.370 where: short stacking energy: -814.744 Base-Backbone interact. energy: 2.180 local terms energy: -904.518216 where: bonds (distance) C4'-P energy: -163.424 bonds (distance) P-C4' energy: -176.147 flat angles C4'-P-C4' energy: -216.358 flat angles P-C4'-P energy: -120.760 tors. eta vs tors. theta energy: -227.829 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: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2631.143108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.143108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.143108 (E_RNA) where: Base-Base interactions energy: -1763.252 where: short stacking energy: -758.950 Base-Backbone interact. energy: -5.341 local terms energy: -862.550222 where: bonds (distance) C4'-P energy: -177.878 bonds (distance) P-C4' energy: -173.197 flat angles C4'-P-C4' energy: -193.053 flat angles P-C4'-P energy: -109.151 tors. eta vs tors. theta energy: -209.271 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: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2442.525190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.525190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.525190 (E_RNA) where: Base-Base interactions energy: -1598.927 where: short stacking energy: -741.004 Base-Backbone interact. energy: -2.570 local terms energy: -841.027895 where: bonds (distance) C4'-P energy: -155.662 bonds (distance) P-C4' energy: -162.055 flat angles C4'-P-C4' energy: -183.048 flat angles P-C4'-P energy: -135.670 tors. eta vs tors. theta energy: -204.592 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: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2141.949866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.949866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.949866 (E_RNA) where: Base-Base interactions energy: -1369.220 where: short stacking energy: -614.689 Base-Backbone interact. energy: -4.678 local terms energy: -768.051563 where: bonds (distance) C4'-P energy: -155.308 bonds (distance) P-C4' energy: -177.022 flat angles C4'-P-C4' energy: -163.919 flat angles P-C4'-P energy: -120.095 tors. eta vs tors. theta energy: -151.708 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: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1781.627064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.627064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.627064 (E_RNA) where: Base-Base interactions energy: -1062.285 where: short stacking energy: -496.183 Base-Backbone interact. energy: -6.335 local terms energy: -713.007105 where: bonds (distance) C4'-P energy: -146.230 bonds (distance) P-C4' energy: -171.915 flat angles C4'-P-C4' energy: -150.757 flat angles P-C4'-P energy: -122.782 tors. eta vs tors. theta energy: -121.323 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: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1484.626631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.626631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.626631 (E_RNA) where: Base-Base interactions energy: -857.788 where: short stacking energy: -420.102 Base-Backbone interact. energy: 3.070 local terms energy: -629.908195 where: bonds (distance) C4'-P energy: -158.548 bonds (distance) P-C4' energy: -158.922 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -93.922 tors. eta vs tors. theta energy: -75.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1249.525314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.525314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.525314 (E_RNA) where: Base-Base interactions energy: -661.175 where: short stacking energy: -358.115 Base-Backbone interact. energy: -0.121 local terms energy: -588.229500 where: bonds (distance) C4'-P energy: -173.236 bonds (distance) P-C4' energy: -147.734 flat angles C4'-P-C4' energy: -127.963 flat angles P-C4'-P energy: -92.409 tors. eta vs tors. theta energy: -46.888 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: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -927.063572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.063572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.063572 (E_RNA) where: Base-Base interactions energy: -441.815 where: short stacking energy: -281.323 Base-Backbone interact. energy: -2.128 local terms energy: -483.120482 where: bonds (distance) C4'-P energy: -136.108 bonds (distance) P-C4' energy: -148.221 flat angles C4'-P-C4' energy: -119.588 flat angles P-C4'-P energy: -80.761 tors. eta vs tors. theta energy: 1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -733.589563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.589563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.589563 (E_RNA) where: Base-Base interactions energy: -271.762 where: short stacking energy: -185.846 Base-Backbone interact. energy: -3.744 local terms energy: -458.083485 where: bonds (distance) C4'-P energy: -132.916 bonds (distance) P-C4' energy: -143.552 flat angles C4'-P-C4' energy: -139.670 flat angles P-C4'-P energy: -64.224 tors. eta vs tors. theta energy: 22.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2876.290642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.290642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.290642 (E_RNA) where: Base-Base interactions energy: -1917.928 where: short stacking energy: -858.966 Base-Backbone interact. energy: 3.633 local terms energy: -961.995869 where: bonds (distance) C4'-P energy: -179.043 bonds (distance) P-C4' energy: -177.730 flat angles C4'-P-C4' energy: -210.381 flat angles P-C4'-P energy: -153.661 tors. eta vs tors. theta energy: -241.181 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: 92 Temperature: 0.950000 Total energy: -2724.710232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.710232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.710232 (E_RNA) where: Base-Base interactions energy: -1819.740 where: short stacking energy: -781.435 Base-Backbone interact. energy: -5.769 local terms energy: -899.201404 where: bonds (distance) C4'-P energy: -176.790 bonds (distance) P-C4' energy: -178.326 flat angles C4'-P-C4' energy: -198.223 flat angles P-C4'-P energy: -125.411 tors. eta vs tors. theta energy: -220.452 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: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2632.052260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.052260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.052260 (E_RNA) where: Base-Base interactions energy: -1757.706 where: short stacking energy: -749.711 Base-Backbone interact. energy: -0.252 local terms energy: -874.094882 where: bonds (distance) C4'-P energy: -189.554 bonds (distance) P-C4' energy: -170.413 flat angles C4'-P-C4' energy: -185.218 flat angles P-C4'-P energy: -116.373 tors. eta vs tors. theta energy: -212.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2416.891230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.891230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.891230 (E_RNA) where: Base-Base interactions energy: -1599.678 where: short stacking energy: -683.156 Base-Backbone interact. energy: -1.221 local terms energy: -815.991941 where: bonds (distance) C4'-P energy: -163.119 bonds (distance) P-C4' energy: -174.020 flat angles C4'-P-C4' energy: -177.052 flat angles P-C4'-P energy: -112.222 tors. eta vs tors. theta energy: -189.579 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: 92 Temperature: 1.100000 Total energy: -2168.522594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.522594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.522594 (E_RNA) where: Base-Base interactions energy: -1376.121 where: short stacking energy: -648.486 Base-Backbone interact. energy: 1.343 local terms energy: -793.744139 where: bonds (distance) C4'-P energy: -187.513 bonds (distance) P-C4' energy: -138.532 flat angles C4'-P-C4' energy: -186.827 flat angles P-C4'-P energy: -118.186 tors. eta vs tors. theta energy: -162.687 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: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1763.537930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.537930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.537930 (E_RNA) where: Base-Base interactions energy: -1071.868 where: short stacking energy: -516.739 Base-Backbone interact. energy: 7.288 local terms energy: -698.957733 where: bonds (distance) C4'-P energy: -161.030 bonds (distance) P-C4' energy: -169.830 flat angles C4'-P-C4' energy: -150.518 flat angles P-C4'-P energy: -108.576 tors. eta vs tors. theta energy: -109.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1601.189032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.189032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.189032 (E_RNA) where: Base-Base interactions energy: -943.198 where: short stacking energy: -461.054 Base-Backbone interact. energy: -1.141 local terms energy: -656.850056 where: bonds (distance) C4'-P energy: -137.106 bonds (distance) P-C4' energy: -166.540 flat angles C4'-P-C4' energy: -168.282 flat angles P-C4'-P energy: -104.803 tors. eta vs tors. theta energy: -80.119 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: 92 Temperature: 1.250000 Total energy: -1164.158521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.158521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.158521 (E_RNA) where: Base-Base interactions energy: -597.844 where: short stacking energy: -317.370 Base-Backbone interact. energy: -0.111 local terms energy: -566.204174 where: bonds (distance) C4'-P energy: -154.415 bonds (distance) P-C4' energy: -145.948 flat angles C4'-P-C4' energy: -149.184 flat angles P-C4'-P energy: -91.528 tors. eta vs tors. theta energy: -25.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -947.370274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.370274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.370274 (E_RNA) where: Base-Base interactions energy: -463.668 where: short stacking energy: -232.849 Base-Backbone interact. energy: -1.182 local terms energy: -482.520461 where: bonds (distance) C4'-P energy: -158.786 bonds (distance) P-C4' energy: -157.418 flat angles C4'-P-C4' energy: -128.401 flat angles P-C4'-P energy: -53.182 tors. eta vs tors. theta energy: 15.267 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: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -652.887798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.887798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.887798 (E_RNA) where: Base-Base interactions energy: -219.933 where: short stacking energy: -172.665 Base-Backbone interact. energy: 0.987 local terms energy: -433.942145 where: bonds (distance) C4'-P energy: -139.140 bonds (distance) P-C4' energy: -132.523 flat angles C4'-P-C4' energy: -132.146 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: 42.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2872.505868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.505868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.505868 (E_RNA) where: Base-Base interactions energy: -1934.133 where: short stacking energy: -852.670 Base-Backbone interact. energy: 0.502 local terms energy: -938.874365 where: bonds (distance) C4'-P energy: -188.654 bonds (distance) P-C4' energy: -181.470 flat angles C4'-P-C4' energy: -210.760 flat angles P-C4'-P energy: -128.647 tors. eta vs tors. theta energy: -229.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2770.635293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.635293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.635293 (E_RNA) where: Base-Base interactions energy: -1878.654 where: short stacking energy: -846.994 Base-Backbone interact. energy: -5.868 local terms energy: -886.113919 where: bonds (distance) C4'-P energy: -168.320 bonds (distance) P-C4' energy: -170.722 flat angles C4'-P-C4' energy: -185.157 flat angles P-C4'-P energy: -134.017 tors. eta vs tors. theta energy: -227.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2574.419452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.419452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.419452 (E_RNA) where: Base-Base interactions energy: -1688.339 where: short stacking energy: -702.815 Base-Backbone interact. energy: -1.241 local terms energy: -884.839505 where: bonds (distance) C4'-P energy: -160.202 bonds (distance) P-C4' energy: -203.202 flat angles C4'-P-C4' energy: -185.303 flat angles P-C4'-P energy: -126.325 tors. eta vs tors. theta energy: -209.807 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: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2386.341984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.341984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.341984 (E_RNA) where: Base-Base interactions energy: -1566.469 where: short stacking energy: -701.468 Base-Backbone interact. energy: 4.696 local terms energy: -824.568943 where: bonds (distance) C4'-P energy: -175.756 bonds (distance) P-C4' energy: -162.018 flat angles C4'-P-C4' energy: -172.569 flat angles P-C4'-P energy: -123.832 tors. eta vs tors. theta energy: -190.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2117.665379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.665379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.665379 (E_RNA) where: Base-Base interactions energy: -1361.738 where: short stacking energy: -642.455 Base-Backbone interact. energy: 0.965 local terms energy: -756.892636 where: bonds (distance) C4'-P energy: -136.943 bonds (distance) P-C4' energy: -188.555 flat angles C4'-P-C4' energy: -159.279 flat angles P-C4'-P energy: -114.780 tors. eta vs tors. theta energy: -157.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1840.936382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.936382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.936382 (E_RNA) where: Base-Base interactions energy: -1148.585 where: short stacking energy: -562.387 Base-Backbone interact. energy: -0.828 local terms energy: -691.523533 where: bonds (distance) C4'-P energy: -170.128 bonds (distance) P-C4' energy: -154.892 flat angles C4'-P-C4' energy: -161.289 flat angles P-C4'-P energy: -94.681 tors. eta vs tors. theta energy: -110.533 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: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1477.918677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.918677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.918677 (E_RNA) where: Base-Base interactions energy: -843.941 where: short stacking energy: -451.380 Base-Backbone interact. energy: -1.979 local terms energy: -631.998398 where: bonds (distance) C4'-P energy: -158.427 bonds (distance) P-C4' energy: -171.317 flat angles C4'-P-C4' energy: -146.638 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: -75.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1195.892704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.892704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.892704 (E_RNA) where: Base-Base interactions energy: -637.803 where: short stacking energy: -364.643 Base-Backbone interact. energy: -1.462 local terms energy: -556.628111 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -150.769 flat angles C4'-P-C4' energy: -143.701 flat angles P-C4'-P energy: -78.541 tors. eta vs tors. theta energy: -51.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -917.006352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.006352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.006352 (E_RNA) where: Base-Base interactions energy: -433.741 where: short stacking energy: -257.393 Base-Backbone interact. energy: 4.508 local terms energy: -487.773462 where: bonds (distance) C4'-P energy: -140.789 bonds (distance) P-C4' energy: -141.439 flat angles C4'-P-C4' energy: -125.324 flat angles P-C4'-P energy: -70.030 tors. eta vs tors. theta energy: -10.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -724.110146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.110146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.110146 (E_RNA) where: Base-Base interactions energy: -266.942 where: short stacking energy: -200.241 Base-Backbone interact. energy: -0.016 local terms energy: -457.152053 where: bonds (distance) C4'-P energy: -148.089 bonds (distance) P-C4' energy: -144.642 flat angles C4'-P-C4' energy: -126.526 flat angles P-C4'-P energy: -76.010 tors. eta vs tors. theta energy: 38.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2897.818107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.818107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.818107 (E_RNA) where: Base-Base interactions energy: -1963.051 where: short stacking energy: -873.189 Base-Backbone interact. energy: -0.791 local terms energy: -933.976405 where: bonds (distance) C4'-P energy: -173.054 bonds (distance) P-C4' energy: -166.022 flat angles C4'-P-C4' energy: -220.760 flat angles P-C4'-P energy: -136.362 tors. eta vs tors. theta energy: -237.778 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: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2787.324631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.324631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.324631 (E_RNA) where: Base-Base interactions energy: -1888.144 where: short stacking energy: -851.127 Base-Backbone interact. energy: 0.477 local terms energy: -899.657536 where: bonds (distance) C4'-P energy: -169.094 bonds (distance) P-C4' energy: -162.093 flat angles C4'-P-C4' energy: -210.980 flat angles P-C4'-P energy: -122.072 tors. eta vs tors. theta energy: -235.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2605.795520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.795520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.795520 (E_RNA) where: Base-Base interactions energy: -1745.228 where: short stacking energy: -773.075 Base-Backbone interact. energy: -1.678 local terms energy: -858.889750 where: bonds (distance) C4'-P energy: -161.779 bonds (distance) P-C4' energy: -173.094 flat angles C4'-P-C4' energy: -195.034 flat angles P-C4'-P energy: -111.128 tors. eta vs tors. theta energy: -217.855 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: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2333.373282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.373282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.373282 (E_RNA) where: Base-Base interactions energy: -1540.041 where: short stacking energy: -714.800 Base-Backbone interact. energy: 0.849 local terms energy: -794.181062 where: bonds (distance) C4'-P energy: -150.646 bonds (distance) P-C4' energy: -163.847 flat angles C4'-P-C4' energy: -180.124 flat angles P-C4'-P energy: -126.583 tors. eta vs tors. theta energy: -172.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2087.650394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.650394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.650394 (E_RNA) where: Base-Base interactions energy: -1332.896 where: short stacking energy: -624.605 Base-Backbone interact. energy: -0.574 local terms energy: -754.179860 where: bonds (distance) C4'-P energy: -157.586 bonds (distance) P-C4' energy: -173.946 flat angles C4'-P-C4' energy: -181.374 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -152.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1806.731432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.731432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.731432 (E_RNA) where: Base-Base interactions energy: -1111.321 where: short stacking energy: -520.738 Base-Backbone interact. energy: 3.944 local terms energy: -699.354212 where: bonds (distance) C4'-P energy: -160.571 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -160.504 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -111.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1414.799243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.799243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.799243 (E_RNA) where: Base-Base interactions energy: -814.134 where: short stacking energy: -398.031 Base-Backbone interact. energy: 4.784 local terms energy: -605.449322 where: bonds (distance) C4'-P energy: -125.527 bonds (distance) P-C4' energy: -156.218 flat angles C4'-P-C4' energy: -170.516 flat angles P-C4'-P energy: -84.087 tors. eta vs tors. theta energy: -69.102 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: 94 Temperature: 1.250000 Total energy: -1183.371148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.371148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.371148 (E_RNA) where: Base-Base interactions energy: -630.696 where: short stacking energy: -331.952 Base-Backbone interact. energy: -1.562 local terms energy: -551.113478 where: bonds (distance) C4'-P energy: -156.269 bonds (distance) P-C4' energy: -147.250 flat angles C4'-P-C4' energy: -143.694 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -20.907 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: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -971.517910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.517910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.517910 (E_RNA) where: Base-Base interactions energy: -489.653 where: short stacking energy: -273.146 Base-Backbone interact. energy: -0.125 local terms energy: -481.740499 where: bonds (distance) C4'-P energy: -147.446 bonds (distance) P-C4' energy: -138.661 flat angles C4'-P-C4' energy: -138.335 flat angles P-C4'-P energy: -71.582 tors. eta vs tors. theta energy: 14.285 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: 94 Temperature: 1.350000 Total energy: -738.310876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.310876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.310876 (E_RNA) where: Base-Base interactions energy: -290.884 where: short stacking energy: -218.233 Base-Backbone interact. energy: 7.220 local terms energy: -454.646123 where: bonds (distance) C4'-P energy: -140.669 bonds (distance) P-C4' energy: -148.077 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -87.989 tors. eta vs tors. theta energy: 20.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2942.248461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.248461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.248461 (E_RNA) where: Base-Base interactions energy: -1986.489 where: short stacking energy: -874.927 Base-Backbone interact. energy: -1.457 local terms energy: -954.302307 where: bonds (distance) C4'-P energy: -172.019 bonds (distance) P-C4' energy: -196.512 flat angles C4'-P-C4' energy: -203.467 flat angles P-C4'-P energy: -139.503 tors. eta vs tors. theta energy: -242.801 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: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2749.725238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.725238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.725238 (E_RNA) where: Base-Base interactions energy: -1854.480 where: short stacking energy: -821.384 Base-Backbone interact. energy: 0.079 local terms energy: -895.323617 where: bonds (distance) C4'-P energy: -165.496 bonds (distance) P-C4' energy: -191.421 flat angles C4'-P-C4' energy: -201.615 flat angles P-C4'-P energy: -116.340 tors. eta vs tors. theta energy: -220.452 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: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2655.848501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.848501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.848501 (E_RNA) where: Base-Base interactions energy: -1770.580 where: short stacking energy: -772.726 Base-Backbone interact. energy: 0.424 local terms energy: -885.692506 where: bonds (distance) C4'-P energy: -172.676 bonds (distance) P-C4' energy: -179.200 flat angles C4'-P-C4' energy: -196.234 flat angles P-C4'-P energy: -122.872 tors. eta vs tors. theta energy: -214.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2327.481837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.481837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.481837 (E_RNA) where: Base-Base interactions energy: -1486.316 where: short stacking energy: -687.595 Base-Backbone interact. energy: 1.347 local terms energy: -842.513372 where: bonds (distance) C4'-P energy: -167.648 bonds (distance) P-C4' energy: -183.317 flat angles C4'-P-C4' energy: -196.158 flat angles P-C4'-P energy: -108.764 tors. eta vs tors. theta energy: -186.627 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: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2141.376657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.376657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.376657 (E_RNA) where: Base-Base interactions energy: -1361.621 where: short stacking energy: -632.295 Base-Backbone interact. energy: 0.333 local terms energy: -780.088641 where: bonds (distance) C4'-P energy: -152.867 bonds (distance) P-C4' energy: -163.884 flat angles C4'-P-C4' energy: -180.378 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -183.234 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: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1773.228935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.228935 (E_RNA) where: Base-Base interactions energy: -1088.699 where: short stacking energy: -517.338 Base-Backbone interact. energy: 4.579 local terms energy: -689.108076 where: bonds (distance) C4'-P energy: -134.295 bonds (distance) P-C4' energy: -169.114 flat angles C4'-P-C4' energy: -166.175 flat angles P-C4'-P energy: -107.096 tors. eta vs tors. theta energy: -112.427 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: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1336.777693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.777693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.777693 (E_RNA) where: Base-Base interactions energy: -706.019 where: short stacking energy: -383.926 Base-Backbone interact. energy: 5.147 local terms energy: -635.904939 where: bonds (distance) C4'-P energy: -177.869 bonds (distance) P-C4' energy: -165.113 flat angles C4'-P-C4' energy: -157.294 flat angles P-C4'-P energy: -96.339 tors. eta vs tors. theta energy: -39.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1220.987168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.987168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.987168 (E_RNA) where: Base-Base interactions energy: -675.723 where: short stacking energy: -339.630 Base-Backbone interact. energy: -3.855 local terms energy: -541.409099 where: bonds (distance) C4'-P energy: -144.347 bonds (distance) P-C4' energy: -164.259 flat angles C4'-P-C4' energy: -141.427 flat angles P-C4'-P energy: -69.424 tors. eta vs tors. theta energy: -21.952 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: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -988.088476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.088476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.088476 (E_RNA) where: Base-Base interactions energy: -505.764 where: short stacking energy: -275.217 Base-Backbone interact. energy: -1.228 local terms energy: -481.096275 where: bonds (distance) C4'-P energy: -144.530 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -112.747 flat angles P-C4'-P energy: -73.804 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: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -737.306032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.306032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.306032 (E_RNA) where: Base-Base interactions energy: -295.959 where: short stacking energy: -211.205 Base-Backbone interact. energy: 4.100 local terms energy: -445.446448 where: bonds (distance) C4'-P energy: -152.383 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -120.625 flat angles P-C4'-P energy: -48.815 tors. eta vs tors. theta energy: 20.417 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: 96 Temperature: 0.900000 Total energy: -2920.971892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.971892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.971892 (E_RNA) where: Base-Base interactions energy: -1986.586 where: short stacking energy: -886.056 Base-Backbone interact. energy: 2.031 local terms energy: -936.417459 where: bonds (distance) C4'-P energy: -172.358 bonds (distance) P-C4' energy: -188.525 flat angles C4'-P-C4' energy: -196.156 flat angles P-C4'-P energy: -130.220 tors. eta vs tors. theta energy: -249.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2763.024331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.024331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.024331 (E_RNA) where: Base-Base interactions energy: -1861.972 where: short stacking energy: -799.935 Base-Backbone interact. energy: 5.997 local terms energy: -907.049206 where: bonds (distance) C4'-P energy: -178.642 bonds (distance) P-C4' energy: -172.811 flat angles C4'-P-C4' energy: -210.135 flat angles P-C4'-P energy: -128.629 tors. eta vs tors. theta energy: -216.832 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: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2633.882769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.882769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.882769 (E_RNA) where: Base-Base interactions energy: -1737.680 where: short stacking energy: -789.219 Base-Backbone interact. energy: -0.699 local terms energy: -895.502966 where: bonds (distance) C4'-P energy: -176.042 bonds (distance) P-C4' energy: -167.040 flat angles C4'-P-C4' energy: -194.922 flat angles P-C4'-P energy: -128.967 tors. eta vs tors. theta energy: -228.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2388.819277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.819277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.819277 (E_RNA) where: Base-Base interactions energy: -1541.079 where: short stacking energy: -698.957 Base-Backbone interact. energy: -3.107 local terms energy: -844.633219 where: bonds (distance) C4'-P energy: -168.759 bonds (distance) P-C4' energy: -180.827 flat angles C4'-P-C4' energy: -182.258 flat angles P-C4'-P energy: -123.905 tors. eta vs tors. theta energy: -188.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2206.441998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.441998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.441998 (E_RNA) where: Base-Base interactions energy: -1412.394 where: short stacking energy: -643.849 Base-Backbone interact. energy: -2.635 local terms energy: -791.413015 where: bonds (distance) C4'-P energy: -184.673 bonds (distance) P-C4' energy: -169.925 flat angles C4'-P-C4' energy: -176.162 flat angles P-C4'-P energy: -105.949 tors. eta vs tors. theta energy: -154.704 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: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1777.443707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.443707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.443707 (E_RNA) where: Base-Base interactions energy: -1055.312 where: short stacking energy: -503.697 Base-Backbone interact. energy: -5.307 local terms energy: -716.825170 where: bonds (distance) C4'-P energy: -166.714 bonds (distance) P-C4' energy: -161.156 flat angles C4'-P-C4' energy: -168.950 flat angles P-C4'-P energy: -100.491 tors. eta vs tors. theta energy: -119.514 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: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1326.577043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.577043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.577043 (E_RNA) where: Base-Base interactions energy: -743.401 where: short stacking energy: -397.909 Base-Backbone interact. energy: -3.476 local terms energy: -579.700621 where: bonds (distance) C4'-P energy: -156.981 bonds (distance) P-C4' energy: -154.312 flat angles C4'-P-C4' energy: -144.154 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -55.763 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: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1275.034388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.034388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.034388 (E_RNA) where: Base-Base interactions energy: -692.636 where: short stacking energy: -354.903 Base-Backbone interact. energy: 3.804 local terms energy: -586.202588 where: bonds (distance) C4'-P energy: -157.003 bonds (distance) P-C4' energy: -161.158 flat angles C4'-P-C4' energy: -163.030 flat angles P-C4'-P energy: -88.628 tors. eta vs tors. theta energy: -16.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -871.384740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.384740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.384740 (E_RNA) where: Base-Base interactions energy: -390.186 where: short stacking energy: -234.927 Base-Backbone interact. energy: 11.423 local terms energy: -492.622009 where: bonds (distance) C4'-P energy: -132.154 bonds (distance) P-C4' energy: -138.894 flat angles C4'-P-C4' energy: -140.299 flat angles P-C4'-P energy: -92.339 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: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -749.552229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.552229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.552229 (E_RNA) where: Base-Base interactions energy: -313.552 where: short stacking energy: -213.890 Base-Backbone interact. energy: 7.080 local terms energy: -443.079923 where: bonds (distance) C4'-P energy: -134.657 bonds (distance) P-C4' energy: -139.195 flat angles C4'-P-C4' energy: -108.513 flat angles P-C4'-P energy: -99.037 tors. eta vs tors. theta energy: 38.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2976.153876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.153876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.153876 (E_RNA) where: Base-Base interactions energy: -2022.892 where: short stacking energy: -903.714 Base-Backbone interact. energy: -3.006 local terms energy: -950.255065 where: bonds (distance) C4'-P energy: -180.278 bonds (distance) P-C4' energy: -178.457 flat angles C4'-P-C4' energy: -199.744 flat angles P-C4'-P energy: -121.012 tors. eta vs tors. theta energy: -270.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2777.451610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.451610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.451610 (E_RNA) where: Base-Base interactions energy: -1872.975 where: short stacking energy: -825.684 Base-Backbone interact. energy: -3.302 local terms energy: -901.174682 where: bonds (distance) C4'-P energy: -174.822 bonds (distance) P-C4' energy: -181.391 flat angles C4'-P-C4' energy: -202.378 flat angles P-C4'-P energy: -124.022 tors. eta vs tors. theta energy: -218.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2588.894327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.894327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.894327 (E_RNA) where: Base-Base interactions energy: -1706.961 where: short stacking energy: -753.440 Base-Backbone interact. energy: -3.719 local terms energy: -878.214509 where: bonds (distance) C4'-P energy: -167.780 bonds (distance) P-C4' energy: -170.136 flat angles C4'-P-C4' energy: -200.293 flat angles P-C4'-P energy: -121.957 tors. eta vs tors. theta energy: -218.048 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: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2392.065719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.065719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.065719 (E_RNA) where: Base-Base interactions energy: -1543.046 where: short stacking energy: -677.177 Base-Backbone interact. energy: -2.518 local terms energy: -846.501391 where: bonds (distance) C4'-P energy: -172.297 bonds (distance) P-C4' energy: -183.201 flat angles C4'-P-C4' energy: -186.173 flat angles P-C4'-P energy: -119.483 tors. eta vs tors. theta energy: -185.347 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: 97 Temperature: 1.100000 Total energy: -2214.550770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.550770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.550770 (E_RNA) where: Base-Base interactions energy: -1416.305 where: short stacking energy: -640.633 Base-Backbone interact. energy: 2.179 local terms energy: -800.424693 where: bonds (distance) C4'-P energy: -176.796 bonds (distance) P-C4' energy: -169.249 flat angles C4'-P-C4' energy: -173.575 flat angles P-C4'-P energy: -101.007 tors. eta vs tors. theta energy: -179.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1881.967808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.967808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.967808 (E_RNA) where: Base-Base interactions energy: -1160.965 where: short stacking energy: -550.755 Base-Backbone interact. energy: 0.366 local terms energy: -721.368665 where: bonds (distance) C4'-P energy: -170.451 bonds (distance) P-C4' energy: -161.495 flat angles C4'-P-C4' energy: -171.976 flat angles P-C4'-P energy: -84.316 tors. eta vs tors. theta energy: -133.131 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: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1297.452448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.452448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.452448 (E_RNA) where: Base-Base interactions energy: -717.124 where: short stacking energy: -367.016 Base-Backbone interact. energy: 0.976 local terms energy: -581.304192 where: bonds (distance) C4'-P energy: -146.038 bonds (distance) P-C4' energy: -158.669 flat angles C4'-P-C4' energy: -160.380 flat angles P-C4'-P energy: -82.773 tors. eta vs tors. theta energy: -33.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1278.539856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.539856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.539856 (E_RNA) where: Base-Base interactions energy: -721.495 where: short stacking energy: -359.878 Base-Backbone interact. energy: 4.740 local terms energy: -561.785258 where: bonds (distance) C4'-P energy: -151.990 bonds (distance) P-C4' energy: -162.150 flat angles C4'-P-C4' energy: -149.799 flat angles P-C4'-P energy: -65.473 tors. eta vs tors. theta energy: -32.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -938.004486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.004486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.004486 (E_RNA) where: Base-Base interactions energy: -412.728 where: short stacking energy: -243.911 Base-Backbone interact. energy: -2.514 local terms energy: -522.762365 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -169.938 flat angles C4'-P-C4' energy: -137.306 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -13.331 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: 97 Temperature: 1.350000 Total energy: -731.375271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.375271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.375271 (E_RNA) where: Base-Base interactions energy: -256.518 where: short stacking energy: -167.218 Base-Backbone interact. energy: -0.077 local terms energy: -474.780638 where: bonds (distance) C4'-P energy: -154.404 bonds (distance) P-C4' energy: -161.801 flat angles C4'-P-C4' energy: -121.789 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: 37.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2940.386619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.386619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.386619 (E_RNA) where: Base-Base interactions energy: -1991.510 where: short stacking energy: -841.448 Base-Backbone interact. energy: -6.929 local terms energy: -941.947399 where: bonds (distance) C4'-P energy: -177.590 bonds (distance) P-C4' energy: -175.403 flat angles C4'-P-C4' energy: -202.788 flat angles P-C4'-P energy: -135.100 tors. eta vs tors. theta energy: -251.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2737.595478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.595478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.595478 (E_RNA) where: Base-Base interactions energy: -1862.145 where: short stacking energy: -804.843 Base-Backbone interact. energy: 0.664 local terms energy: -876.114026 where: bonds (distance) C4'-P energy: -150.098 bonds (distance) P-C4' energy: -200.653 flat angles C4'-P-C4' energy: -192.063 flat angles P-C4'-P energy: -127.559 tors. eta vs tors. theta energy: -205.741 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: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2635.960743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.960743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.960743 (E_RNA) where: Base-Base interactions energy: -1767.439 where: short stacking energy: -775.750 Base-Backbone interact. energy: -0.745 local terms energy: -867.776742 where: bonds (distance) C4'-P energy: -165.728 bonds (distance) P-C4' energy: -169.951 flat angles C4'-P-C4' energy: -190.234 flat angles P-C4'-P energy: -121.287 tors. eta vs tors. theta energy: -220.577 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: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2388.040056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.040056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.040056 (E_RNA) where: Base-Base interactions energy: -1585.486 where: short stacking energy: -682.016 Base-Backbone interact. energy: 2.113 local terms energy: -804.666795 where: bonds (distance) C4'-P energy: -171.585 bonds (distance) P-C4' energy: -168.399 flat angles C4'-P-C4' energy: -172.739 flat angles P-C4'-P energy: -115.341 tors. eta vs tors. theta energy: -176.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2259.483977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.483977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.483977 (E_RNA) where: Base-Base interactions energy: -1446.856 where: short stacking energy: -657.738 Base-Backbone interact. energy: -5.988 local terms energy: -806.639477 where: bonds (distance) C4'-P energy: -153.846 bonds (distance) P-C4' energy: -184.123 flat angles C4'-P-C4' energy: -165.587 flat angles P-C4'-P energy: -124.821 tors. eta vs tors. theta energy: -178.263 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: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1816.612435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.612435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.612435 (E_RNA) where: Base-Base interactions energy: -1116.655 where: short stacking energy: -538.059 Base-Backbone interact. energy: 1.940 local terms energy: -701.898056 where: bonds (distance) C4'-P energy: -143.654 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -169.877 flat angles P-C4'-P energy: -111.849 tors. eta vs tors. theta energy: -117.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1352.607130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.607130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.607130 (E_RNA) where: Base-Base interactions energy: -744.132 where: short stacking energy: -419.117 Base-Backbone interact. energy: -0.210 local terms energy: -608.265024 where: bonds (distance) C4'-P energy: -153.600 bonds (distance) P-C4' energy: -157.185 flat angles C4'-P-C4' energy: -160.347 flat angles P-C4'-P energy: -78.257 tors. eta vs tors. theta energy: -58.876 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: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1263.853204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.853204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.853204 (E_RNA) where: Base-Base interactions energy: -688.420 where: short stacking energy: -350.634 Base-Backbone interact. energy: 4.320 local terms energy: -579.753164 where: bonds (distance) C4'-P energy: -150.347 bonds (distance) P-C4' energy: -169.082 flat angles C4'-P-C4' energy: -113.301 flat angles P-C4'-P energy: -94.426 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: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1021.092260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.092260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.092260 (E_RNA) where: Base-Base interactions energy: -487.224 where: short stacking energy: -279.293 Base-Backbone interact. energy: 3.019 local terms energy: -536.886437 where: bonds (distance) C4'-P energy: -162.238 bonds (distance) P-C4' energy: -146.881 flat angles C4'-P-C4' energy: -137.415 flat angles P-C4'-P energy: -75.104 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -773.011750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.011750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.011750 (E_RNA) where: Base-Base interactions energy: -307.202 where: short stacking energy: -197.467 Base-Backbone interact. energy: 4.080 local terms energy: -469.889572 where: bonds (distance) C4'-P energy: -135.677 bonds (distance) P-C4' energy: -168.140 flat angles C4'-P-C4' energy: -130.955 flat angles P-C4'-P energy: -74.678 tors. eta vs tors. theta energy: 39.561 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: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2964.663849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.663849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.663849 (E_RNA) where: Base-Base interactions energy: -1995.532 where: short stacking energy: -862.274 Base-Backbone interact. energy: -1.277 local terms energy: -967.854929 where: bonds (distance) C4'-P energy: -169.486 bonds (distance) P-C4' energy: -182.514 flat angles C4'-P-C4' energy: -204.394 flat angles P-C4'-P energy: -158.495 tors. eta vs tors. theta energy: -252.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2736.048260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.048260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.048260 (E_RNA) where: Base-Base interactions energy: -1806.274 where: short stacking energy: -796.301 Base-Backbone interact. energy: -4.022 local terms energy: -925.752474 where: bonds (distance) C4'-P energy: -180.527 bonds (distance) P-C4' energy: -186.944 flat angles C4'-P-C4' energy: -203.133 flat angles P-C4'-P energy: -129.253 tors. eta vs tors. theta energy: -225.896 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: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2647.017255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.017255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.017255 (E_RNA) where: Base-Base interactions energy: -1758.858 where: short stacking energy: -783.834 Base-Backbone interact. energy: -1.980 local terms energy: -886.178814 where: bonds (distance) C4'-P energy: -174.365 bonds (distance) P-C4' energy: -172.694 flat angles C4'-P-C4' energy: -192.200 flat angles P-C4'-P energy: -115.382 tors. eta vs tors. theta energy: -231.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2389.997244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.997244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.997244 (E_RNA) where: Base-Base interactions energy: -1607.395 where: short stacking energy: -730.978 Base-Backbone interact. energy: 2.399 local terms energy: -785.000816 where: bonds (distance) C4'-P energy: -141.786 bonds (distance) P-C4' energy: -178.310 flat angles C4'-P-C4' energy: -158.400 flat angles P-C4'-P energy: -128.332 tors. eta vs tors. theta energy: -178.172 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: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2217.138318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.138318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.138318 (E_RNA) where: Base-Base interactions energy: -1432.006 where: short stacking energy: -611.985 Base-Backbone interact. energy: 0.211 local terms energy: -785.343770 where: bonds (distance) C4'-P energy: -158.816 bonds (distance) P-C4' energy: -177.148 flat angles C4'-P-C4' energy: -164.516 flat angles P-C4'-P energy: -111.347 tors. eta vs tors. theta energy: -173.518 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: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1852.734860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.734860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.734860 (E_RNA) where: Base-Base interactions energy: -1121.738 where: short stacking energy: -544.392 Base-Backbone interact. energy: 1.153 local terms energy: -732.150217 where: bonds (distance) C4'-P energy: -153.450 bonds (distance) P-C4' energy: -179.150 flat angles C4'-P-C4' energy: -157.827 flat angles P-C4'-P energy: -112.040 tors. eta vs tors. theta energy: -129.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1469.400701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.400701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.400701 (E_RNA) where: Base-Base interactions energy: -881.874 where: short stacking energy: -382.865 Base-Backbone interact. energy: 5.747 local terms energy: -593.273596 where: bonds (distance) C4'-P energy: -140.196 bonds (distance) P-C4' energy: -159.650 flat angles C4'-P-C4' energy: -157.864 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -56.675 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: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1165.099745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.099745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.099745 (E_RNA) where: Base-Base interactions energy: -607.277 where: short stacking energy: -309.100 Base-Backbone interact. energy: 2.079 local terms energy: -559.902112 where: bonds (distance) C4'-P energy: -154.303 bonds (distance) P-C4' energy: -155.966 flat angles C4'-P-C4' energy: -142.435 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -24.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -910.464279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.464279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.464279 (E_RNA) where: Base-Base interactions energy: -407.132 where: short stacking energy: -251.607 Base-Backbone interact. energy: 2.745 local terms energy: -506.076982 where: bonds (distance) C4'-P energy: -146.712 bonds (distance) P-C4' energy: -156.086 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -729.967088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.967088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.967088 (E_RNA) where: Base-Base interactions energy: -245.756 where: short stacking energy: -182.675 Base-Backbone interact. energy: -0.369 local terms energy: -483.841740 where: bonds (distance) C4'-P energy: -151.566 bonds (distance) P-C4' energy: -164.292 flat angles C4'-P-C4' energy: -137.404 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: 42.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2954.026212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.026212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.026212 (E_RNA) where: Base-Base interactions energy: -2013.965 where: short stacking energy: -876.896 Base-Backbone interact. energy: -0.068 local terms energy: -939.993381 where: bonds (distance) C4'-P energy: -186.079 bonds (distance) P-C4' energy: -180.705 flat angles C4'-P-C4' energy: -209.428 flat angles P-C4'-P energy: -120.162 tors. eta vs tors. theta energy: -243.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2733.220438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.220438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.220438 (E_RNA) where: Base-Base interactions energy: -1818.741 where: short stacking energy: -810.508 Base-Backbone interact. energy: -4.664 local terms energy: -909.815869 where: bonds (distance) C4'-P energy: -190.973 bonds (distance) P-C4' energy: -180.847 flat angles C4'-P-C4' energy: -195.418 flat angles P-C4'-P energy: -130.656 tors. eta vs tors. theta energy: -211.921 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: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2611.821180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.821180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.821180 (E_RNA) where: Base-Base interactions energy: -1736.009 where: short stacking energy: -778.342 Base-Backbone interact. energy: 3.763 local terms energy: -879.575148 where: bonds (distance) C4'-P energy: -165.216 bonds (distance) P-C4' energy: -174.348 flat angles C4'-P-C4' energy: -194.274 flat angles P-C4'-P energy: -125.374 tors. eta vs tors. theta energy: -220.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2400.659082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.659082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.659082 (E_RNA) where: Base-Base interactions energy: -1576.916 where: short stacking energy: -711.936 Base-Backbone interact. energy: -3.063 local terms energy: -820.680524 where: bonds (distance) C4'-P energy: -147.189 bonds (distance) P-C4' energy: -176.582 flat angles C4'-P-C4' energy: -190.287 flat angles P-C4'-P energy: -116.899 tors. eta vs tors. theta energy: -189.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2197.922865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.922865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.922865 (E_RNA) where: Base-Base interactions energy: -1417.942 where: short stacking energy: -620.980 Base-Backbone interact. energy: -1.876 local terms energy: -778.104933 where: bonds (distance) C4'-P energy: -162.277 bonds (distance) P-C4' energy: -161.119 flat angles C4'-P-C4' energy: -177.270 flat angles P-C4'-P energy: -110.035 tors. eta vs tors. theta energy: -167.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1905.838136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.838136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.838136 (E_RNA) where: Base-Base interactions energy: -1188.199 where: short stacking energy: -584.209 Base-Backbone interact. energy: -3.759 local terms energy: -713.880805 where: bonds (distance) C4'-P energy: -150.551 bonds (distance) P-C4' energy: -150.933 flat angles C4'-P-C4' energy: -150.557 flat angles P-C4'-P energy: -109.447 tors. eta vs tors. theta energy: -152.393 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: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1456.239624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.239624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.239624 (E_RNA) where: Base-Base interactions energy: -842.011 where: short stacking energy: -430.558 Base-Backbone interact. energy: 0.755 local terms energy: -614.983881 where: bonds (distance) C4'-P energy: -166.631 bonds (distance) P-C4' energy: -158.749 flat angles C4'-P-C4' energy: -158.858 flat angles P-C4'-P energy: -76.520 tors. eta vs tors. theta energy: -54.225 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: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1150.514736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.514736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.514736 (E_RNA) where: Base-Base interactions energy: -568.566 where: short stacking energy: -330.617 Base-Backbone interact. energy: -2.627 local terms energy: -579.322183 where: bonds (distance) C4'-P energy: -154.700 bonds (distance) P-C4' energy: -168.442 flat angles C4'-P-C4' energy: -126.560 flat angles P-C4'-P energy: -88.626 tors. eta vs tors. theta energy: -40.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -893.781291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.781291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.781291 (E_RNA) where: Base-Base interactions energy: -403.856 where: short stacking energy: -241.872 Base-Backbone interact. energy: -3.668 local terms energy: -486.256497 where: bonds (distance) C4'-P energy: -145.721 bonds (distance) P-C4' energy: -148.538 flat angles C4'-P-C4' energy: -140.724 flat angles P-C4'-P energy: -74.532 tors. eta vs tors. theta energy: 23.258 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: 100 Temperature: 1.350000 Total energy: -735.542913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.542913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.542913 (E_RNA) where: Base-Base interactions energy: -289.031 where: short stacking energy: -187.824 Base-Backbone interact. energy: 1.171 local terms energy: -447.683403 where: bonds (distance) C4'-P energy: -137.204 bonds (distance) P-C4' energy: -158.884 flat angles C4'-P-C4' energy: -109.797 flat angles P-C4'-P energy: -74.808 tors. eta vs tors. theta energy: 33.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2993.446282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.446282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.446282 (E_RNA) where: Base-Base interactions energy: -2019.995 where: short stacking energy: -882.801 Base-Backbone interact. energy: -4.037 local terms energy: -969.415116 where: bonds (distance) C4'-P energy: -175.796 bonds (distance) P-C4' energy: -199.773 flat angles C4'-P-C4' energy: -212.656 flat angles P-C4'-P energy: -139.390 tors. eta vs tors. theta energy: -241.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2747.483590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.483590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.483590 (E_RNA) where: Base-Base interactions energy: -1833.666 where: short stacking energy: -827.677 Base-Backbone interact. energy: 2.053 local terms energy: -915.870333 where: bonds (distance) C4'-P energy: -184.891 bonds (distance) P-C4' energy: -176.878 flat angles C4'-P-C4' energy: -196.420 flat angles P-C4'-P energy: -127.007 tors. eta vs tors. theta energy: -230.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2627.666062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.666062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.666062 (E_RNA) where: Base-Base interactions energy: -1735.628 where: short stacking energy: -748.549 Base-Backbone interact. energy: -1.076 local terms energy: -890.961734 where: bonds (distance) C4'-P energy: -177.228 bonds (distance) P-C4' energy: -184.475 flat angles C4'-P-C4' energy: -201.002 flat angles P-C4'-P energy: -121.416 tors. eta vs tors. theta energy: -206.841 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: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2352.782175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.782175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.782175 (E_RNA) where: Base-Base interactions energy: -1503.350 where: short stacking energy: -732.124 Base-Backbone interact. energy: -0.529 local terms energy: -848.904039 where: bonds (distance) C4'-P energy: -160.022 bonds (distance) P-C4' energy: -158.615 flat angles C4'-P-C4' energy: -192.071 flat angles P-C4'-P energy: -132.059 tors. eta vs tors. theta energy: -206.138 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: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2201.648412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.648412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.648412 (E_RNA) where: Base-Base interactions energy: -1415.106 where: short stacking energy: -642.193 Base-Backbone interact. energy: 4.380 local terms energy: -790.922648 where: bonds (distance) C4'-P energy: -148.549 bonds (distance) P-C4' energy: -184.988 flat angles C4'-P-C4' energy: -170.339 flat angles P-C4'-P energy: -123.764 tors. eta vs tors. theta energy: -163.284 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: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1865.384414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.384414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.384414 (E_RNA) where: Base-Base interactions energy: -1131.956 where: short stacking energy: -503.242 Base-Backbone interact. energy: -4.039 local terms energy: -729.388979 where: bonds (distance) C4'-P energy: -159.599 bonds (distance) P-C4' energy: -168.097 flat angles C4'-P-C4' energy: -180.780 flat angles P-C4'-P energy: -112.920 tors. eta vs tors. theta energy: -107.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1429.327098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.327098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.327098 (E_RNA) where: Base-Base interactions energy: -790.016 where: short stacking energy: -407.811 Base-Backbone interact. energy: -4.642 local terms energy: -634.668759 where: bonds (distance) C4'-P energy: -174.356 bonds (distance) P-C4' energy: -154.007 flat angles C4'-P-C4' energy: -142.267 flat angles P-C4'-P energy: -106.271 tors. eta vs tors. theta energy: -57.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1152.032522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.032522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.032522 (E_RNA) where: Base-Base interactions energy: -595.156 where: short stacking energy: -332.327 Base-Backbone interact. energy: -2.415 local terms energy: -554.461435 where: bonds (distance) C4'-P energy: -150.562 bonds (distance) P-C4' energy: -158.636 flat angles C4'-P-C4' energy: -134.606 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: -36.491 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: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -915.623534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.623534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.623534 (E_RNA) where: Base-Base interactions energy: -442.999 where: short stacking energy: -254.375 Base-Backbone interact. energy: 3.735 local terms energy: -476.359662 where: bonds (distance) C4'-P energy: -134.441 bonds (distance) P-C4' energy: -166.691 flat angles C4'-P-C4' energy: -122.875 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: 4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -663.974248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.974248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.974248 (E_RNA) where: Base-Base interactions energy: -225.740 where: short stacking energy: -173.668 Base-Backbone interact. energy: -0.029 local terms energy: -438.205328 where: bonds (distance) C4'-P energy: -137.536 bonds (distance) P-C4' energy: -134.310 flat angles C4'-P-C4' energy: -125.832 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: 25.068 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: 102 Temperature: 0.900000 Total energy: -2996.057230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.057230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.057230 (E_RNA) where: Base-Base interactions energy: -2046.390 where: short stacking energy: -894.529 Base-Backbone interact. energy: 0.975 local terms energy: -950.642542 where: bonds (distance) C4'-P energy: -173.784 bonds (distance) P-C4' energy: -193.585 flat angles C4'-P-C4' energy: -202.659 flat angles P-C4'-P energy: -139.449 tors. eta vs tors. theta energy: -241.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2740.873534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.873534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.873534 (E_RNA) where: Base-Base interactions energy: -1830.327 where: short stacking energy: -797.774 Base-Backbone interact. energy: -0.128 local terms energy: -910.418640 where: bonds (distance) C4'-P energy: -173.762 bonds (distance) P-C4' energy: -178.471 flat angles C4'-P-C4' energy: -214.303 flat angles P-C4'-P energy: -128.764 tors. eta vs tors. theta energy: -215.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2576.087104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.087104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.087104 (E_RNA) where: Base-Base interactions energy: -1713.173 where: short stacking energy: -746.072 Base-Backbone interact. energy: -1.534 local terms energy: -861.379489 where: bonds (distance) C4'-P energy: -174.048 bonds (distance) P-C4' energy: -172.535 flat angles C4'-P-C4' energy: -201.496 flat angles P-C4'-P energy: -109.178 tors. eta vs tors. theta energy: -204.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2293.976427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.976427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.976427 (E_RNA) where: Base-Base interactions energy: -1472.601 where: short stacking energy: -699.531 Base-Backbone interact. energy: -0.016 local terms energy: -821.359701 where: bonds (distance) C4'-P energy: -180.688 bonds (distance) P-C4' energy: -177.232 flat angles C4'-P-C4' energy: -171.675 flat angles P-C4'-P energy: -104.915 tors. eta vs tors. theta energy: -186.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2202.402818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.402818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.402818 (E_RNA) where: Base-Base interactions energy: -1400.758 where: short stacking energy: -674.935 Base-Backbone interact. energy: -3.413 local terms energy: -798.232256 where: bonds (distance) C4'-P energy: -158.282 bonds (distance) P-C4' energy: -160.372 flat angles C4'-P-C4' energy: -185.683 flat angles P-C4'-P energy: -106.303 tors. eta vs tors. theta energy: -187.593 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: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1745.142790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.142790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.142790 (E_RNA) where: Base-Base interactions energy: -1047.716 where: short stacking energy: -509.409 Base-Backbone interact. energy: 0.358 local terms energy: -697.784746 where: bonds (distance) C4'-P energy: -153.824 bonds (distance) P-C4' energy: -168.186 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -110.013 tors. eta vs tors. theta energy: -107.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1407.151383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.151383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.151383 (E_RNA) where: Base-Base interactions energy: -809.239 where: short stacking energy: -414.255 Base-Backbone interact. energy: -2.065 local terms energy: -595.847338 where: bonds (distance) C4'-P energy: -158.183 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -156.891 flat angles P-C4'-P energy: -85.414 tors. eta vs tors. theta energy: -45.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1157.005763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.005763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.005763 (E_RNA) where: Base-Base interactions energy: -619.890 where: short stacking energy: -360.943 Base-Backbone interact. energy: 1.258 local terms energy: -538.373137 where: bonds (distance) C4'-P energy: -138.531 bonds (distance) P-C4' energy: -147.876 flat angles C4'-P-C4' energy: -149.951 flat angles P-C4'-P energy: -75.209 tors. eta vs tors. theta energy: -26.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -890.995482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.995482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.995482 (E_RNA) where: Base-Base interactions energy: -408.721 where: short stacking energy: -247.407 Base-Backbone interact. energy: 0.237 local terms energy: -482.512153 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -143.879 flat angles C4'-P-C4' energy: -120.463 flat angles P-C4'-P energy: -89.724 tors. eta vs tors. theta energy: 6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -686.167924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.167924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.167924 (E_RNA) where: Base-Base interactions energy: -226.705 where: short stacking energy: -197.069 Base-Backbone interact. energy: 0.291 local terms energy: -459.753411 where: bonds (distance) C4'-P energy: -137.962 bonds (distance) P-C4' energy: -148.038 flat angles C4'-P-C4' energy: -127.584 flat angles P-C4'-P energy: -68.385 tors. eta vs tors. theta energy: 22.215 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: 103 Temperature: 0.900000 Total energy: -2969.963891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.963891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.963891 (E_RNA) where: Base-Base interactions energy: -2046.297 where: short stacking energy: -875.838 Base-Backbone interact. energy: -1.177 local terms energy: -922.490429 where: bonds (distance) C4'-P energy: -163.552 bonds (distance) P-C4' energy: -175.043 flat angles C4'-P-C4' energy: -207.863 flat angles P-C4'-P energy: -125.490 tors. eta vs tors. theta energy: -250.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2710.675547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.675547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.675547 (E_RNA) where: Base-Base interactions energy: -1826.282 where: short stacking energy: -791.088 Base-Backbone interact. energy: -0.308 local terms energy: -884.085765 where: bonds (distance) C4'-P energy: -177.597 bonds (distance) P-C4' energy: -183.633 flat angles C4'-P-C4' energy: -190.218 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -217.976 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2682.411802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.411802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.411802 (E_RNA) where: Base-Base interactions energy: -1835.345 where: short stacking energy: -796.925 Base-Backbone interact. energy: -4.876 local terms energy: -842.190840 where: bonds (distance) C4'-P energy: -164.676 bonds (distance) P-C4' energy: -158.088 flat angles C4'-P-C4' energy: -191.704 flat angles P-C4'-P energy: -115.673 tors. eta vs tors. theta energy: -212.049 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: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2318.850920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.850920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.850920 (E_RNA) where: Base-Base interactions energy: -1485.101 where: short stacking energy: -644.616 Base-Backbone interact. energy: -4.002 local terms energy: -829.747892 where: bonds (distance) C4'-P energy: -170.076 bonds (distance) P-C4' energy: -181.058 flat angles C4'-P-C4' energy: -193.584 flat angles P-C4'-P energy: -116.866 tors. eta vs tors. theta energy: -168.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2176.749532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.749532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.749532 (E_RNA) where: Base-Base interactions energy: -1381.416 where: short stacking energy: -633.673 Base-Backbone interact. energy: 5.081 local terms energy: -800.414490 where: bonds (distance) C4'-P energy: -153.365 bonds (distance) P-C4' energy: -172.110 flat angles C4'-P-C4' energy: -189.998 flat angles P-C4'-P energy: -120.125 tors. eta vs tors. theta energy: -164.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1724.926910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.926910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.926910 (E_RNA) where: Base-Base interactions energy: -1054.792 where: short stacking energy: -514.496 Base-Backbone interact. energy: -6.520 local terms energy: -663.615106 where: bonds (distance) C4'-P energy: -155.925 bonds (distance) P-C4' energy: -154.387 flat angles C4'-P-C4' energy: -159.490 flat angles P-C4'-P energy: -102.742 tors. eta vs tors. theta energy: -91.072 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: 103 Temperature: 1.200000 Total energy: -1448.510663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.510663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.510663 (E_RNA) where: Base-Base interactions energy: -853.686 where: short stacking energy: -458.303 Base-Backbone interact. energy: -0.579 local terms energy: -594.246355 where: bonds (distance) C4'-P energy: -170.255 bonds (distance) P-C4' energy: -129.927 flat angles C4'-P-C4' energy: -153.853 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -64.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1151.962158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.962158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.962158 (E_RNA) where: Base-Base interactions energy: -593.387 where: short stacking energy: -331.269 Base-Backbone interact. energy: 1.262 local terms energy: -559.837615 where: bonds (distance) C4'-P energy: -131.763 bonds (distance) P-C4' energy: -174.658 flat angles C4'-P-C4' energy: -145.008 flat angles P-C4'-P energy: -105.102 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -886.256401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.256401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.256401 (E_RNA) where: Base-Base interactions energy: -396.373 where: short stacking energy: -264.221 Base-Backbone interact. energy: -1.391 local terms energy: -488.491921 where: bonds (distance) C4'-P energy: -139.776 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -156.198 flat angles P-C4'-P energy: -69.630 tors. eta vs tors. theta energy: 22.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -731.799488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.799488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.799488 (E_RNA) where: Base-Base interactions energy: -246.572 where: short stacking energy: -180.574 Base-Backbone interact. energy: 0.834 local terms energy: -486.061044 where: bonds (distance) C4'-P energy: -141.205 bonds (distance) P-C4' energy: -160.875 flat angles C4'-P-C4' energy: -137.807 flat angles P-C4'-P energy: -67.320 tors. eta vs tors. theta energy: 21.147 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: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2989.428163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.428163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.428163 (E_RNA) where: Base-Base interactions energy: -2062.339 where: short stacking energy: -874.660 Base-Backbone interact. energy: -1.173 local terms energy: -925.915731 where: bonds (distance) C4'-P energy: -177.598 bonds (distance) P-C4' energy: -177.559 flat angles C4'-P-C4' energy: -193.453 flat angles P-C4'-P energy: -129.320 tors. eta vs tors. theta energy: -247.986 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: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2738.583552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.583552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.583552 (E_RNA) where: Base-Base interactions energy: -1847.998 where: short stacking energy: -812.262 Base-Backbone interact. energy: 0.479 local terms energy: -891.065444 where: bonds (distance) C4'-P energy: -176.890 bonds (distance) P-C4' energy: -177.756 flat angles C4'-P-C4' energy: -205.941 flat angles P-C4'-P energy: -124.737 tors. eta vs tors. theta energy: -205.741 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: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2630.737721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.737721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.737721 (E_RNA) where: Base-Base interactions energy: -1763.830 where: short stacking energy: -802.486 Base-Backbone interact. energy: -3.391 local terms energy: -863.516778 where: bonds (distance) C4'-P energy: -161.027 bonds (distance) P-C4' energy: -180.314 flat angles C4'-P-C4' energy: -187.051 flat angles P-C4'-P energy: -113.279 tors. eta vs tors. theta energy: -221.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2308.033427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.033427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.033427 (E_RNA) where: Base-Base interactions energy: -1514.108 where: short stacking energy: -685.858 Base-Backbone interact. energy: -1.572 local terms energy: -792.352738 where: bonds (distance) C4'-P energy: -165.333 bonds (distance) P-C4' energy: -160.761 flat angles C4'-P-C4' energy: -175.663 flat angles P-C4'-P energy: -110.618 tors. eta vs tors. theta energy: -179.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2158.047379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.047379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.047379 (E_RNA) where: Base-Base interactions energy: -1386.200 where: short stacking energy: -636.236 Base-Backbone interact. energy: -0.841 local terms energy: -771.006624 where: bonds (distance) C4'-P energy: -156.621 bonds (distance) P-C4' energy: -172.627 flat angles C4'-P-C4' energy: -160.626 flat angles P-C4'-P energy: -114.238 tors. eta vs tors. theta energy: -166.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1736.197855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.197855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.197855 (E_RNA) where: Base-Base interactions energy: -1027.461 where: short stacking energy: -489.196 Base-Backbone interact. energy: -3.170 local terms energy: -705.567152 where: bonds (distance) C4'-P energy: -160.894 bonds (distance) P-C4' energy: -179.933 flat angles C4'-P-C4' energy: -154.985 flat angles P-C4'-P energy: -108.009 tors. eta vs tors. theta energy: -101.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1433.180122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.180122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.180122 (E_RNA) where: Base-Base interactions energy: -813.879 where: short stacking energy: -426.634 Base-Backbone interact. energy: 2.424 local terms energy: -621.724586 where: bonds (distance) C4'-P energy: -155.112 bonds (distance) P-C4' energy: -157.398 flat angles C4'-P-C4' energy: -133.862 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -68.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1084.923009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.923009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.923009 (E_RNA) where: Base-Base interactions energy: -530.733 where: short stacking energy: -316.902 Base-Backbone interact. energy: 1.436 local terms energy: -555.626099 where: bonds (distance) C4'-P energy: -163.082 bonds (distance) P-C4' energy: -143.911 flat angles C4'-P-C4' energy: -127.866 flat angles P-C4'-P energy: -98.679 tors. eta vs tors. theta energy: -22.089 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: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -777.039976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.039976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.039976 (E_RNA) where: Base-Base interactions energy: -285.563 where: short stacking energy: -210.504 Base-Backbone interact. energy: -2.336 local terms energy: -489.140649 where: bonds (distance) C4'-P energy: -158.894 bonds (distance) P-C4' energy: -151.386 flat angles C4'-P-C4' energy: -121.818 flat angles P-C4'-P energy: -92.238 tors. eta vs tors. theta energy: 35.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -766.755334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.755334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.755334 (E_RNA) where: Base-Base interactions energy: -305.717 where: short stacking energy: -189.535 Base-Backbone interact. energy: 1.699 local terms energy: -462.737000 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -148.542 flat angles C4'-P-C4' energy: -138.894 flat angles P-C4'-P energy: -73.641 tors. eta vs tors. theta energy: 39.838 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: 105 Temperature: 0.900000 Total energy: -3013.952331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.952331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.952331 (E_RNA) where: Base-Base interactions energy: -2044.580 where: short stacking energy: -862.006 Base-Backbone interact. energy: 0.788 local terms energy: -970.160818 where: bonds (distance) C4'-P energy: -191.542 bonds (distance) P-C4' energy: -189.656 flat angles C4'-P-C4' energy: -200.389 flat angles P-C4'-P energy: -143.468 tors. eta vs tors. theta energy: -245.105 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: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2733.596438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.596438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.596438 (E_RNA) where: Base-Base interactions energy: -1838.855 where: short stacking energy: -814.356 Base-Backbone interact. energy: -2.204 local terms energy: -892.537239 where: bonds (distance) C4'-P energy: -175.980 bonds (distance) P-C4' energy: -169.239 flat angles C4'-P-C4' energy: -193.346 flat angles P-C4'-P energy: -126.006 tors. eta vs tors. theta energy: -227.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2616.742220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.742220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.742220 (E_RNA) where: Base-Base interactions energy: -1773.486 where: short stacking energy: -777.924 Base-Backbone interact. energy: 4.101 local terms energy: -847.357264 where: bonds (distance) C4'-P energy: -158.481 bonds (distance) P-C4' energy: -184.556 flat angles C4'-P-C4' energy: -186.243 flat angles P-C4'-P energy: -118.094 tors. eta vs tors. theta energy: -199.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2324.692621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.692621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.692621 (E_RNA) where: Base-Base interactions energy: -1504.778 where: short stacking energy: -659.845 Base-Backbone interact. energy: -2.293 local terms energy: -817.621551 where: bonds (distance) C4'-P energy: -154.760 bonds (distance) P-C4' energy: -168.228 flat angles C4'-P-C4' energy: -195.628 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -186.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2213.353664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.353664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.353664 (E_RNA) where: Base-Base interactions energy: -1436.651 where: short stacking energy: -640.850 Base-Backbone interact. energy: -0.832 local terms energy: -775.870354 where: bonds (distance) C4'-P energy: -169.461 bonds (distance) P-C4' energy: -157.413 flat angles C4'-P-C4' energy: -189.148 flat angles P-C4'-P energy: -98.716 tors. eta vs tors. theta energy: -161.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1800.930579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.930579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.930579 (E_RNA) where: Base-Base interactions energy: -1072.285 where: short stacking energy: -546.560 Base-Backbone interact. energy: 4.132 local terms energy: -732.776878 where: bonds (distance) C4'-P energy: -172.397 bonds (distance) P-C4' energy: -162.784 flat angles C4'-P-C4' energy: -172.348 flat angles P-C4'-P energy: -117.300 tors. eta vs tors. theta energy: -107.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1428.774822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.774822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.774822 (E_RNA) where: Base-Base interactions energy: -830.488 where: short stacking energy: -409.996 Base-Backbone interact. energy: -2.470 local terms energy: -595.816657 where: bonds (distance) C4'-P energy: -151.270 bonds (distance) P-C4' energy: -146.490 flat angles C4'-P-C4' energy: -145.029 flat angles P-C4'-P energy: -91.121 tors. eta vs tors. theta energy: -61.906 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: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1038.712319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.712319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.712319 (E_RNA) where: Base-Base interactions energy: -501.776 where: short stacking energy: -283.153 Base-Backbone interact. energy: 6.031 local terms energy: -542.967189 where: bonds (distance) C4'-P energy: -148.263 bonds (distance) P-C4' energy: -160.277 flat angles C4'-P-C4' energy: -141.551 flat angles P-C4'-P energy: -81.157 tors. eta vs tors. theta energy: -11.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -731.270795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.270795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.270795 (E_RNA) where: Base-Base interactions energy: -287.791 where: short stacking energy: -237.423 Base-Backbone interact. energy: 7.858 local terms energy: -451.338001 where: bonds (distance) C4'-P energy: -118.496 bonds (distance) P-C4' energy: -138.672 flat angles C4'-P-C4' energy: -120.077 flat angles P-C4'-P energy: -69.668 tors. eta vs tors. theta energy: -4.425 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: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -793.481385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.481385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.481385 (E_RNA) where: Base-Base interactions energy: -352.603 where: short stacking energy: -230.456 Base-Backbone interact. energy: 4.753 local terms energy: -445.631350 where: bonds (distance) C4'-P energy: -146.322 bonds (distance) P-C4' energy: -156.818 flat angles C4'-P-C4' energy: -115.018 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: 34.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3007.166265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.166265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.166265 (E_RNA) where: Base-Base interactions energy: -2056.121 where: short stacking energy: -884.974 Base-Backbone interact. energy: -6.216 local terms energy: -944.829041 where: bonds (distance) C4'-P energy: -190.731 bonds (distance) P-C4' energy: -171.850 flat angles C4'-P-C4' energy: -204.740 flat angles P-C4'-P energy: -129.249 tors. eta vs tors. theta energy: -248.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2739.467536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.467536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.467536 (E_RNA) where: Base-Base interactions energy: -1845.407 where: short stacking energy: -810.754 Base-Backbone interact. energy: -0.728 local terms energy: -893.332153 where: bonds (distance) C4'-P energy: -173.318 bonds (distance) P-C4' energy: -170.571 flat angles C4'-P-C4' energy: -194.309 flat angles P-C4'-P energy: -131.833 tors. eta vs tors. theta energy: -223.301 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: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2655.952747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.952747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.952747 (E_RNA) where: Base-Base interactions energy: -1793.630 where: short stacking energy: -808.325 Base-Backbone interact. energy: -1.004 local terms energy: -861.318789 where: bonds (distance) C4'-P energy: -163.815 bonds (distance) P-C4' energy: -150.413 flat angles C4'-P-C4' energy: -192.693 flat angles P-C4'-P energy: -130.116 tors. eta vs tors. theta energy: -224.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2358.838870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.838870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.838870 (E_RNA) where: Base-Base interactions energy: -1528.634 where: short stacking energy: -699.029 Base-Backbone interact. energy: -3.468 local terms energy: -826.736693 where: bonds (distance) C4'-P energy: -156.001 bonds (distance) P-C4' energy: -172.149 flat angles C4'-P-C4' energy: -190.825 flat angles P-C4'-P energy: -123.922 tors. eta vs tors. theta energy: -183.840 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: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2209.657523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.657523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.657523 (E_RNA) where: Base-Base interactions energy: -1404.413 where: short stacking energy: -657.388 Base-Backbone interact. energy: -4.493 local terms energy: -800.751377 where: bonds (distance) C4'-P energy: -154.623 bonds (distance) P-C4' energy: -181.025 flat angles C4'-P-C4' energy: -180.750 flat angles P-C4'-P energy: -108.802 tors. eta vs tors. theta energy: -175.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1760.836770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.836770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.836770 (E_RNA) where: Base-Base interactions energy: -1060.984 where: short stacking energy: -487.476 Base-Backbone interact. energy: -0.737 local terms energy: -699.115383 where: bonds (distance) C4'-P energy: -151.712 bonds (distance) P-C4' energy: -153.028 flat angles C4'-P-C4' energy: -177.611 flat angles P-C4'-P energy: -100.274 tors. eta vs tors. theta energy: -116.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1418.946405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.946405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.946405 (E_RNA) where: Base-Base interactions energy: -826.826 where: short stacking energy: -396.545 Base-Backbone interact. energy: -2.943 local terms energy: -589.176619 where: bonds (distance) C4'-P energy: -164.036 bonds (distance) P-C4' energy: -164.046 flat angles C4'-P-C4' energy: -140.482 flat angles P-C4'-P energy: -76.338 tors. eta vs tors. theta energy: -44.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1087.282483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.282483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.282483 (E_RNA) where: Base-Base interactions energy: -555.250 where: short stacking energy: -332.673 Base-Backbone interact. energy: 3.800 local terms energy: -535.832635 where: bonds (distance) C4'-P energy: -139.544 bonds (distance) P-C4' energy: -152.376 flat angles C4'-P-C4' energy: -145.237 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -26.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -812.000092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.000092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.000092 (E_RNA) where: Base-Base interactions energy: -326.832 where: short stacking energy: -229.414 Base-Backbone interact. energy: 0.206 local terms energy: -485.374585 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -167.464 flat angles C4'-P-C4' energy: -120.743 flat angles P-C4'-P energy: -90.175 tors. eta vs tors. theta energy: 34.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -665.871907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.871907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.871907 (E_RNA) where: Base-Base interactions energy: -257.927 where: short stacking energy: -162.528 Base-Backbone interact. energy: -0.187 local terms energy: -407.757968 where: bonds (distance) C4'-P energy: -122.756 bonds (distance) P-C4' energy: -167.220 flat angles C4'-P-C4' energy: -119.692 flat angles P-C4'-P energy: -69.549 tors. eta vs tors. theta energy: 71.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3002.181329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.181329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.181329 (E_RNA) where: Base-Base interactions energy: -2061.684 where: short stacking energy: -861.422 Base-Backbone interact. energy: -0.840 local terms energy: -939.657333 where: bonds (distance) C4'-P energy: -172.095 bonds (distance) P-C4' energy: -196.797 flat angles C4'-P-C4' energy: -205.826 flat angles P-C4'-P energy: -131.488 tors. eta vs tors. theta energy: -233.451 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: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2729.296839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.296839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.296839 (E_RNA) where: Base-Base interactions energy: -1822.389 where: short stacking energy: -814.368 Base-Backbone interact. energy: 1.183 local terms energy: -908.090675 where: bonds (distance) C4'-P energy: -167.927 bonds (distance) P-C4' energy: -177.666 flat angles C4'-P-C4' energy: -205.098 flat angles P-C4'-P energy: -128.851 tors. eta vs tors. theta energy: -228.549 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: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2667.674538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.674538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.674538 (E_RNA) where: Base-Base interactions energy: -1788.179 where: short stacking energy: -777.940 Base-Backbone interact. energy: -2.588 local terms energy: -876.906877 where: bonds (distance) C4'-P energy: -162.247 bonds (distance) P-C4' energy: -190.388 flat angles C4'-P-C4' energy: -174.734 flat angles P-C4'-P energy: -136.860 tors. eta vs tors. theta energy: -212.678 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: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2334.519191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.519191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.519191 (E_RNA) where: Base-Base interactions energy: -1532.783 where: short stacking energy: -697.023 Base-Backbone interact. energy: -2.780 local terms energy: -798.955571 where: bonds (distance) C4'-P energy: -166.354 bonds (distance) P-C4' energy: -159.457 flat angles C4'-P-C4' energy: -191.010 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -168.099 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: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2286.929727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.929727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.929727 (E_RNA) where: Base-Base interactions energy: -1505.240 where: short stacking energy: -647.492 Base-Backbone interact. energy: -0.553 local terms energy: -781.136179 where: bonds (distance) C4'-P energy: -167.171 bonds (distance) P-C4' energy: -171.222 flat angles C4'-P-C4' energy: -195.679 flat angles P-C4'-P energy: -91.718 tors. eta vs tors. theta energy: -155.345 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: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1735.599338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.599338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.599338 (E_RNA) where: Base-Base interactions energy: -1049.174 where: short stacking energy: -489.552 Base-Backbone interact. energy: -1.127 local terms energy: -685.298005 where: bonds (distance) C4'-P energy: -152.944 bonds (distance) P-C4' energy: -166.260 flat angles C4'-P-C4' energy: -156.761 flat angles P-C4'-P energy: -102.823 tors. eta vs tors. theta energy: -106.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1421.987309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.987309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.987309 (E_RNA) where: Base-Base interactions energy: -827.382 where: short stacking energy: -468.886 Base-Backbone interact. energy: -1.314 local terms energy: -593.291705 where: bonds (distance) C4'-P energy: -143.291 bonds (distance) P-C4' energy: -161.425 flat angles C4'-P-C4' energy: -152.044 flat angles P-C4'-P energy: -76.654 tors. eta vs tors. theta energy: -59.878 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: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1121.985814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.985814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.985814 (E_RNA) where: Base-Base interactions energy: -557.272 where: short stacking energy: -319.303 Base-Backbone interact. energy: -2.190 local terms energy: -562.523871 where: bonds (distance) C4'-P energy: -161.611 bonds (distance) P-C4' energy: -174.778 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -17.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -774.527052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.527052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.527052 (E_RNA) where: Base-Base interactions energy: -310.797 where: short stacking energy: -230.432 Base-Backbone interact. energy: -3.545 local terms energy: -460.185593 where: bonds (distance) C4'-P energy: -143.701 bonds (distance) P-C4' energy: -148.001 flat angles C4'-P-C4' energy: -136.463 flat angles P-C4'-P energy: -49.705 tors. eta vs tors. theta energy: 17.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -647.741440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.741440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.741440 (E_RNA) where: Base-Base interactions energy: -229.758 where: short stacking energy: -171.016 Base-Backbone interact. energy: -1.255 local terms energy: -416.728608 where: bonds (distance) C4'-P energy: -119.388 bonds (distance) P-C4' energy: -140.062 flat angles C4'-P-C4' energy: -120.049 flat angles P-C4'-P energy: -80.955 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: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3017.187947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.187947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.187947 (E_RNA) where: Base-Base interactions energy: -2116.804 where: short stacking energy: -882.924 Base-Backbone interact. energy: 3.826 local terms energy: -904.209808 where: bonds (distance) C4'-P energy: -169.580 bonds (distance) P-C4' energy: -187.643 flat angles C4'-P-C4' energy: -196.000 flat angles P-C4'-P energy: -117.353 tors. eta vs tors. theta energy: -233.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2704.283094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.283094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.283094 (E_RNA) where: Base-Base interactions energy: -1816.732 where: short stacking energy: -802.932 Base-Backbone interact. energy: 0.646 local terms energy: -888.196513 where: bonds (distance) C4'-P energy: -174.642 bonds (distance) P-C4' energy: -178.580 flat angles C4'-P-C4' energy: -196.806 flat angles P-C4'-P energy: -119.937 tors. eta vs tors. theta energy: -218.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2631.722232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.722232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.722232 (E_RNA) where: Base-Base interactions energy: -1755.512 where: short stacking energy: -773.867 Base-Backbone interact. energy: -4.307 local terms energy: -871.903724 where: bonds (distance) C4'-P energy: -175.621 bonds (distance) P-C4' energy: -183.765 flat angles C4'-P-C4' energy: -194.501 flat angles P-C4'-P energy: -120.538 tors. eta vs tors. theta energy: -197.479 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: 108 Temperature: 1.050000 Total energy: -2331.388617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.388617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.388617 (E_RNA) where: Base-Base interactions energy: -1519.543 where: short stacking energy: -692.778 Base-Backbone interact. energy: 0.409 local terms energy: -812.254403 where: bonds (distance) C4'-P energy: -166.671 bonds (distance) P-C4' energy: -171.427 flat angles C4'-P-C4' energy: -180.082 flat angles P-C4'-P energy: -117.431 tors. eta vs tors. theta energy: -176.643 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: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2391.072593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.072593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.072593 (E_RNA) where: Base-Base interactions energy: -1570.214 where: short stacking energy: -678.298 Base-Backbone interact. energy: 0.408 local terms energy: -821.266975 where: bonds (distance) C4'-P energy: -160.446 bonds (distance) P-C4' energy: -166.872 flat angles C4'-P-C4' energy: -189.760 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -206.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1686.969519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.969519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.969519 (E_RNA) where: Base-Base interactions energy: -1008.406 where: short stacking energy: -491.290 Base-Backbone interact. energy: 1.859 local terms energy: -680.421852 where: bonds (distance) C4'-P energy: -164.992 bonds (distance) P-C4' energy: -158.875 flat angles C4'-P-C4' energy: -149.152 flat angles P-C4'-P energy: -93.580 tors. eta vs tors. theta energy: -113.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1442.826160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.826160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.826160 (E_RNA) where: Base-Base interactions energy: -820.866 where: short stacking energy: -432.316 Base-Backbone interact. energy: -1.849 local terms energy: -620.111360 where: bonds (distance) C4'-P energy: -156.228 bonds (distance) P-C4' energy: -155.936 flat angles C4'-P-C4' energy: -157.246 flat angles P-C4'-P energy: -86.752 tors. eta vs tors. theta energy: -63.949 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: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1127.347952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.347952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.347952 (E_RNA) where: Base-Base interactions energy: -585.318 where: short stacking energy: -291.718 Base-Backbone interact. energy: 4.551 local terms energy: -546.581565 where: bonds (distance) C4'-P energy: -141.017 bonds (distance) P-C4' energy: -153.860 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -87.476 tors. eta vs tors. theta energy: -13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -805.421663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.421663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.421663 (E_RNA) where: Base-Base interactions energy: -291.970 where: short stacking energy: -203.961 Base-Backbone interact. energy: 0.021 local terms energy: -513.472043 where: bonds (distance) C4'-P energy: -167.117 bonds (distance) P-C4' energy: -161.628 flat angles C4'-P-C4' energy: -136.100 flat angles P-C4'-P energy: -63.352 tors. eta vs tors. theta energy: 14.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -651.308469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.308469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.308469 (E_RNA) where: Base-Base interactions energy: -233.171 where: short stacking energy: -179.966 Base-Backbone interact. energy: 11.073 local terms energy: -429.210018 where: bonds (distance) C4'-P energy: -147.659 bonds (distance) P-C4' energy: -156.164 flat angles C4'-P-C4' energy: -120.677 flat angles P-C4'-P energy: -34.728 tors. eta vs tors. theta energy: 30.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3000.667836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.667836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.667836 (E_RNA) where: Base-Base interactions energy: -2047.654 where: short stacking energy: -848.439 Base-Backbone interact. energy: -3.904 local terms energy: -949.109466 where: bonds (distance) C4'-P energy: -188.491 bonds (distance) P-C4' energy: -180.959 flat angles C4'-P-C4' energy: -211.784 flat angles P-C4'-P energy: -143.368 tors. eta vs tors. theta energy: -224.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2711.808180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.808180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.808180 (E_RNA) where: Base-Base interactions energy: -1810.463 where: short stacking energy: -798.432 Base-Backbone interact. energy: -2.404 local terms energy: -898.941436 where: bonds (distance) C4'-P energy: -181.033 bonds (distance) P-C4' energy: -166.077 flat angles C4'-P-C4' energy: -194.809 flat angles P-C4'-P energy: -134.285 tors. eta vs tors. theta energy: -222.737 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: 109 Temperature: 1.000000 Total energy: -2640.525015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.525015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.525015 (E_RNA) where: Base-Base interactions energy: -1761.071 where: short stacking energy: -782.490 Base-Backbone interact. energy: -5.076 local terms energy: -874.377844 where: bonds (distance) C4'-P energy: -163.056 bonds (distance) P-C4' energy: -180.390 flat angles C4'-P-C4' energy: -202.910 flat angles P-C4'-P energy: -119.699 tors. eta vs tors. theta energy: -208.323 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: 109 Temperature: 1.050000 Total energy: -2333.600222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.600222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.600222 (E_RNA) where: Base-Base interactions energy: -1541.471 where: short stacking energy: -684.453 Base-Backbone interact. energy: -3.679 local terms energy: -788.450297 where: bonds (distance) C4'-P energy: -150.573 bonds (distance) P-C4' energy: -175.426 flat angles C4'-P-C4' energy: -175.477 flat angles P-C4'-P energy: -105.627 tors. eta vs tors. theta energy: -181.347 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: 109 Temperature: 1.100000 Total energy: -2364.225818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.225818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.225818 (E_RNA) where: Base-Base interactions energy: -1551.926 where: short stacking energy: -680.358 Base-Backbone interact. energy: 1.721 local terms energy: -814.020785 where: bonds (distance) C4'-P energy: -164.832 bonds (distance) P-C4' energy: -160.912 flat angles C4'-P-C4' energy: -188.706 flat angles P-C4'-P energy: -112.282 tors. eta vs tors. theta energy: -187.288 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: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1677.595610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.595610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.595610 (E_RNA) where: Base-Base interactions energy: -979.684 where: short stacking energy: -500.515 Base-Backbone interact. energy: -0.727 local terms energy: -697.184319 where: bonds (distance) C4'-P energy: -146.673 bonds (distance) P-C4' energy: -141.212 flat angles C4'-P-C4' energy: -172.038 flat angles P-C4'-P energy: -111.039 tors. eta vs tors. theta energy: -126.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1447.580917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.580917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.580917 (E_RNA) where: Base-Base interactions energy: -857.042 where: short stacking energy: -432.930 Base-Backbone interact. energy: 1.877 local terms energy: -592.416816 where: bonds (distance) C4'-P energy: -143.203 bonds (distance) P-C4' energy: -138.605 flat angles C4'-P-C4' energy: -147.854 flat angles P-C4'-P energy: -93.103 tors. eta vs tors. theta energy: -69.651 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: 8, replica: 3 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1211.891880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.891880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.891880 (E_RNA) where: Base-Base interactions energy: -639.768 where: short stacking energy: -334.979 Base-Backbone interact. energy: 3.076 local terms energy: -575.200486 where: bonds (distance) C4'-P energy: -154.044 bonds (distance) P-C4' energy: -166.227 flat angles C4'-P-C4' energy: -137.872 flat angles P-C4'-P energy: -94.126 tors. eta vs tors. theta energy: -22.931 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: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -757.896149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.896149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.896149 (E_RNA) where: Base-Base interactions energy: -306.041 where: short stacking energy: -210.030 Base-Backbone interact. energy: 3.517 local terms energy: -455.372630 where: bonds (distance) C4'-P energy: -150.690 bonds (distance) P-C4' energy: -164.931 flat angles C4'-P-C4' energy: -110.286 flat angles P-C4'-P energy: -58.639 tors. eta vs tors. theta energy: 29.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -651.334987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.334987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.334987 (E_RNA) where: Base-Base interactions energy: -215.921 where: short stacking energy: -185.935 Base-Backbone interact. energy: -2.306 local terms energy: -433.108047 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -151.802 flat angles C4'-P-C4' energy: -110.992 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: 23.931 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: 1, replica: 6 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2999.138209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.138209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.138209 (E_RNA) where: Base-Base interactions energy: -2071.337 where: short stacking energy: -869.076 Base-Backbone interact. energy: -3.187 local terms energy: -924.613827 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -184.474 flat angles C4'-P-C4' energy: -222.692 flat angles P-C4'-P energy: -130.403 tors. eta vs tors. theta energy: -234.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2743.602359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.602359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.602359 (E_RNA) where: Base-Base interactions energy: -1863.457 where: short stacking energy: -784.311 Base-Backbone interact. energy: 0.110 local terms energy: -880.256102 where: bonds (distance) C4'-P energy: -167.347 bonds (distance) P-C4' energy: -176.532 flat angles C4'-P-C4' energy: -184.672 flat angles P-C4'-P energy: -130.762 tors. eta vs tors. theta energy: -220.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2629.006577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.006577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.006577 (E_RNA) where: Base-Base interactions energy: -1771.479 where: short stacking energy: -807.421 Base-Backbone interact. energy: -1.637 local terms energy: -855.890873 where: bonds (distance) C4'-P energy: -160.647 bonds (distance) P-C4' energy: -178.759 flat angles C4'-P-C4' energy: -188.624 flat angles P-C4'-P energy: -114.151 tors. eta vs tors. theta energy: -213.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2330.234617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.234617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.234617 (E_RNA) where: Base-Base interactions energy: -1506.471 where: short stacking energy: -698.129 Base-Backbone interact. energy: -3.321 local terms energy: -820.442741 where: bonds (distance) C4'-P energy: -177.457 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -181.673 flat angles P-C4'-P energy: -123.229 tors. eta vs tors. theta energy: -183.039 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: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2368.514393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.514393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.514393 (E_RNA) where: Base-Base interactions energy: -1564.089 where: short stacking energy: -711.921 Base-Backbone interact. energy: -0.817 local terms energy: -803.607796 where: bonds (distance) C4'-P energy: -160.609 bonds (distance) P-C4' energy: -156.054 flat angles C4'-P-C4' energy: -181.589 flat angles P-C4'-P energy: -118.722 tors. eta vs tors. theta energy: -186.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1762.509904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.509904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.509904 (E_RNA) where: Base-Base interactions energy: -1069.793 where: short stacking energy: -533.063 Base-Backbone interact. energy: 1.160 local terms energy: -693.876456 where: bonds (distance) C4'-P energy: -161.342 bonds (distance) P-C4' energy: -176.102 flat angles C4'-P-C4' energy: -165.536 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -98.089 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: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1435.791338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.791338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.791338 (E_RNA) where: Base-Base interactions energy: -817.140 where: short stacking energy: -423.437 Base-Backbone interact. energy: -1.926 local terms energy: -616.725759 where: bonds (distance) C4'-P energy: -159.622 bonds (distance) P-C4' energy: -143.747 flat angles C4'-P-C4' energy: -169.746 flat angles P-C4'-P energy: -84.849 tors. eta vs tors. theta energy: -58.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1140.640019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.640019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.640019 (E_RNA) where: Base-Base interactions energy: -563.950 where: short stacking energy: -328.712 Base-Backbone interact. energy: -0.554 local terms energy: -576.135925 where: bonds (distance) C4'-P energy: -170.169 bonds (distance) P-C4' energy: -156.016 flat angles C4'-P-C4' energy: -143.844 flat angles P-C4'-P energy: -74.485 tors. eta vs tors. theta energy: -31.622 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: 110 Temperature: 1.300000 Total energy: -777.309670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.309670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.309670 (E_RNA) where: Base-Base interactions energy: -304.148 where: short stacking energy: -216.636 Base-Backbone interact. energy: 5.697 local terms energy: -478.858455 where: bonds (distance) C4'-P energy: -156.329 bonds (distance) P-C4' energy: -150.225 flat angles C4'-P-C4' energy: -131.336 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: 30.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -701.177330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.177330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.177330 (E_RNA) where: Base-Base interactions energy: -265.639 where: short stacking energy: -180.906 Base-Backbone interact. energy: -1.542 local terms energy: -433.996007 where: bonds (distance) C4'-P energy: -135.844 bonds (distance) P-C4' energy: -142.027 flat angles C4'-P-C4' energy: -129.982 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: 42.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2993.492616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.492616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.492616 (E_RNA) where: Base-Base interactions energy: -2029.601 where: short stacking energy: -896.674 Base-Backbone interact. energy: 0.823 local terms energy: -964.714744 where: bonds (distance) C4'-P energy: -195.666 bonds (distance) P-C4' energy: -182.377 flat angles C4'-P-C4' energy: -203.175 flat angles P-C4'-P energy: -138.399 tors. eta vs tors. theta energy: -245.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2723.132468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.132468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.132468 (E_RNA) where: Base-Base interactions energy: -1816.886 where: short stacking energy: -796.715 Base-Backbone interact. energy: -5.984 local terms energy: -900.262491 where: bonds (distance) C4'-P energy: -178.377 bonds (distance) P-C4' energy: -178.815 flat angles C4'-P-C4' energy: -200.878 flat angles P-C4'-P energy: -114.994 tors. eta vs tors. theta energy: -227.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2620.055326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.055326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.055326 (E_RNA) where: Base-Base interactions energy: -1758.645 where: short stacking energy: -763.047 Base-Backbone interact. energy: 0.985 local terms energy: -862.395885 where: bonds (distance) C4'-P energy: -161.415 bonds (distance) P-C4' energy: -177.310 flat angles C4'-P-C4' energy: -190.699 flat angles P-C4'-P energy: -126.942 tors. eta vs tors. theta energy: -206.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2504.112826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.112826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.112826 (E_RNA) where: Base-Base interactions energy: -1675.575 where: short stacking energy: -741.050 Base-Backbone interact. energy: -2.913 local terms energy: -825.624658 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -148.951 flat angles C4'-P-C4' energy: -194.633 flat angles P-C4'-P energy: -126.191 tors. eta vs tors. theta energy: -219.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2236.649020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.649020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.649020 (E_RNA) where: Base-Base interactions energy: -1491.236 where: short stacking energy: -664.545 Base-Backbone interact. energy: -5.033 local terms energy: -740.380482 where: bonds (distance) C4'-P energy: -136.156 bonds (distance) P-C4' energy: -151.466 flat angles C4'-P-C4' energy: -188.662 flat angles P-C4'-P energy: -97.839 tors. eta vs tors. theta energy: -166.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1797.866031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.866031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.866031 (E_RNA) where: Base-Base interactions energy: -1074.356 where: short stacking energy: -523.535 Base-Backbone interact. energy: -2.611 local terms energy: -720.899086 where: bonds (distance) C4'-P energy: -140.295 bonds (distance) P-C4' energy: -168.959 flat angles C4'-P-C4' energy: -174.007 flat angles P-C4'-P energy: -103.875 tors. eta vs tors. theta energy: -133.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1497.459581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.459581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.459581 (E_RNA) where: Base-Base interactions energy: -915.675 where: short stacking energy: -433.023 Base-Backbone interact. energy: 3.625 local terms energy: -585.409985 where: bonds (distance) C4'-P energy: -155.610 bonds (distance) P-C4' energy: -139.201 flat angles C4'-P-C4' energy: -153.430 flat angles P-C4'-P energy: -69.541 tors. eta vs tors. theta energy: -67.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1129.761072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.761072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.761072 (E_RNA) where: Base-Base interactions energy: -557.988 where: short stacking energy: -315.021 Base-Backbone interact. energy: -1.223 local terms energy: -570.550231 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -146.367 flat angles C4'-P-C4' energy: -164.786 flat angles P-C4'-P energy: -79.157 tors. eta vs tors. theta energy: -34.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -734.030920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.030920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.030920 (E_RNA) where: Base-Base interactions energy: -263.468 where: short stacking energy: -221.667 Base-Backbone interact. energy: 5.921 local terms energy: -476.483891 where: bonds (distance) C4'-P energy: -121.439 bonds (distance) P-C4' energy: -189.475 flat angles C4'-P-C4' energy: -134.641 flat angles P-C4'-P energy: -75.793 tors. eta vs tors. theta energy: 44.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -721.003800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.003800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.003800 (E_RNA) where: Base-Base interactions energy: -289.741 where: short stacking energy: -229.212 Base-Backbone interact. energy: 6.609 local terms energy: -437.872303 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -149.413 flat angles C4'-P-C4' energy: -121.435 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: 20.245 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: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3018.381297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.381297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.381297 (E_RNA) where: Base-Base interactions energy: -2042.749 where: short stacking energy: -878.048 Base-Backbone interact. energy: -0.275 local terms energy: -975.357200 where: bonds (distance) C4'-P energy: -177.295 bonds (distance) P-C4' energy: -198.410 flat angles C4'-P-C4' energy: -202.881 flat angles P-C4'-P energy: -136.493 tors. eta vs tors. theta energy: -260.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2743.809229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.809229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.809229 (E_RNA) where: Base-Base interactions energy: -1848.378 where: short stacking energy: -800.853 Base-Backbone interact. energy: -0.518 local terms energy: -894.913316 where: bonds (distance) C4'-P energy: -166.754 bonds (distance) P-C4' energy: -177.808 flat angles C4'-P-C4' energy: -195.769 flat angles P-C4'-P energy: -129.612 tors. eta vs tors. theta energy: -224.970 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: 112 Temperature: 1.000000 Total energy: -2628.630568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.630568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.630568 (E_RNA) where: Base-Base interactions energy: -1750.147 where: short stacking energy: -761.685 Base-Backbone interact. energy: 1.144 local terms energy: -879.628104 where: bonds (distance) C4'-P energy: -174.710 bonds (distance) P-C4' energy: -187.630 flat angles C4'-P-C4' energy: -176.675 flat angles P-C4'-P energy: -128.843 tors. eta vs tors. theta energy: -211.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2393.116073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.116073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.116073 (E_RNA) where: Base-Base interactions energy: -1553.449 where: short stacking energy: -680.429 Base-Backbone interact. energy: -1.604 local terms energy: -838.063324 where: bonds (distance) C4'-P energy: -172.020 bonds (distance) P-C4' energy: -173.418 flat angles C4'-P-C4' energy: -187.006 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -193.547 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: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2253.952971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.952971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.952971 (E_RNA) where: Base-Base interactions energy: -1485.347 where: short stacking energy: -664.340 Base-Backbone interact. energy: -1.640 local terms energy: -766.966569 where: bonds (distance) C4'-P energy: -157.624 bonds (distance) P-C4' energy: -170.442 flat angles C4'-P-C4' energy: -180.092 flat angles P-C4'-P energy: -85.940 tors. eta vs tors. theta energy: -172.869 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: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1775.428862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.428862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.428862 (E_RNA) where: Base-Base interactions energy: -1065.324 where: short stacking energy: -507.497 Base-Backbone interact. energy: -1.641 local terms energy: -708.463404 where: bonds (distance) C4'-P energy: -159.161 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -168.431 flat angles P-C4'-P energy: -112.424 tors. eta vs tors. theta energy: -119.591 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: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1560.448740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.448740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.448740 (E_RNA) where: Base-Base interactions energy: -942.923 where: short stacking energy: -446.700 Base-Backbone interact. energy: 1.176 local terms energy: -618.701987 where: bonds (distance) C4'-P energy: -150.567 bonds (distance) P-C4' energy: -143.224 flat angles C4'-P-C4' energy: -143.195 flat angles P-C4'-P energy: -114.026 tors. eta vs tors. theta energy: -67.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1199.765340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.765340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.765340 (E_RNA) where: Base-Base interactions energy: -598.182 where: short stacking energy: -344.111 Base-Backbone interact. energy: 2.925 local terms energy: -604.507550 where: bonds (distance) C4'-P energy: -143.767 bonds (distance) P-C4' energy: -183.145 flat angles C4'-P-C4' energy: -139.572 flat angles P-C4'-P energy: -108.649 tors. eta vs tors. theta energy: -29.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -769.694061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.694061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.694061 (E_RNA) where: Base-Base interactions energy: -316.582 where: short stacking energy: -220.095 Base-Backbone interact. energy: 9.657 local terms energy: -462.769146 where: bonds (distance) C4'-P energy: -143.531 bonds (distance) P-C4' energy: -147.609 flat angles C4'-P-C4' energy: -112.446 flat angles P-C4'-P energy: -96.165 tors. eta vs tors. theta energy: 36.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -744.165720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.165720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.165720 (E_RNA) where: Base-Base interactions energy: -351.802 where: short stacking energy: -233.871 Base-Backbone interact. energy: 0.056 local terms energy: -392.419686 where: bonds (distance) C4'-P energy: -123.080 bonds (distance) P-C4' energy: -125.163 flat angles C4'-P-C4' energy: -131.837 flat angles P-C4'-P energy: -56.208 tors. eta vs tors. theta energy: 43.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2998.632483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.632483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.632483 (E_RNA) where: Base-Base interactions energy: -2045.557 where: short stacking energy: -863.197 Base-Backbone interact. energy: -5.761 local terms energy: -947.314532 where: bonds (distance) C4'-P energy: -186.260 bonds (distance) P-C4' energy: -179.557 flat angles C4'-P-C4' energy: -207.843 flat angles P-C4'-P energy: -132.078 tors. eta vs tors. theta energy: -241.576 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: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2791.154738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.154738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.154738 (E_RNA) where: Base-Base interactions energy: -1854.711 where: short stacking energy: -807.267 Base-Backbone interact. energy: -0.370 local terms energy: -936.074155 where: bonds (distance) C4'-P energy: -176.172 bonds (distance) P-C4' energy: -191.355 flat angles C4'-P-C4' energy: -205.653 flat angles P-C4'-P energy: -123.264 tors. eta vs tors. theta energy: -239.630 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: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2665.841142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.841142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.841142 (E_RNA) where: Base-Base interactions energy: -1805.706 where: short stacking energy: -797.815 Base-Backbone interact. energy: 7.238 local terms energy: -867.373832 where: bonds (distance) C4'-P energy: -156.338 bonds (distance) P-C4' energy: -182.217 flat angles C4'-P-C4' energy: -193.195 flat angles P-C4'-P energy: -122.376 tors. eta vs tors. theta energy: -213.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2447.583466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.583466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.583466 (E_RNA) where: Base-Base interactions energy: -1616.396 where: short stacking energy: -746.887 Base-Backbone interact. energy: 4.600 local terms energy: -835.787773 where: bonds (distance) C4'-P energy: -172.601 bonds (distance) P-C4' energy: -166.878 flat angles C4'-P-C4' energy: -183.231 flat angles P-C4'-P energy: -120.157 tors. eta vs tors. theta energy: -192.921 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: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2214.994251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.994251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.994251 (E_RNA) where: Base-Base interactions energy: -1430.232 where: short stacking energy: -660.496 Base-Backbone interact. energy: 6.742 local terms energy: -791.504026 where: bonds (distance) C4'-P energy: -172.623 bonds (distance) P-C4' energy: -159.578 flat angles C4'-P-C4' energy: -165.950 flat angles P-C4'-P energy: -104.425 tors. eta vs tors. theta energy: -188.928 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: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1792.621244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.621244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.621244 (E_RNA) where: Base-Base interactions energy: -1099.031 where: short stacking energy: -504.500 Base-Backbone interact. energy: 0.613 local terms energy: -694.203049 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -167.040 flat angles C4'-P-C4' energy: -168.163 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -115.094 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: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1651.343661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.343661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.343661 (E_RNA) where: Base-Base interactions energy: -1016.740 where: short stacking energy: -463.646 Base-Backbone interact. energy: 2.438 local terms energy: -637.042202 where: bonds (distance) C4'-P energy: -153.009 bonds (distance) P-C4' energy: -156.032 flat angles C4'-P-C4' energy: -157.289 flat angles P-C4'-P energy: -83.374 tors. eta vs tors. theta energy: -87.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1170.920079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.920079 (E_RNA) where: Base-Base interactions energy: -632.202 where: short stacking energy: -317.365 Base-Backbone interact. energy: 0.756 local terms energy: -539.473206 where: bonds (distance) C4'-P energy: -143.629 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -148.684 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -19.221 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: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -773.116144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.116144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.116144 (E_RNA) where: Base-Base interactions energy: -298.209 where: short stacking energy: -217.868 Base-Backbone interact. energy: 2.013 local terms energy: -476.920231 where: bonds (distance) C4'-P energy: -139.079 bonds (distance) P-C4' energy: -157.523 flat angles C4'-P-C4' energy: -133.029 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: 20.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -833.463393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.463393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.463393 (E_RNA) where: Base-Base interactions energy: -398.442 where: short stacking energy: -226.763 Base-Backbone interact. energy: 1.858 local terms energy: -436.879611 where: bonds (distance) C4'-P energy: -133.968 bonds (distance) P-C4' energy: -154.757 flat angles C4'-P-C4' energy: -114.921 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: 25.371 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: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3054.358009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.358009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.358009 (E_RNA) where: Base-Base interactions energy: -2092.403 where: short stacking energy: -855.520 Base-Backbone interact. energy: -5.971 local terms energy: -955.983775 where: bonds (distance) C4'-P energy: -181.343 bonds (distance) P-C4' energy: -184.085 flat angles C4'-P-C4' energy: -199.942 flat angles P-C4'-P energy: -136.563 tors. eta vs tors. theta energy: -254.051 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: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2751.353051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.353051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.353051 (E_RNA) where: Base-Base interactions energy: -1854.046 where: short stacking energy: -807.142 Base-Backbone interact. energy: 1.424 local terms energy: -898.731121 where: bonds (distance) C4'-P energy: -163.247 bonds (distance) P-C4' energy: -166.533 flat angles C4'-P-C4' energy: -207.960 flat angles P-C4'-P energy: -134.162 tors. eta vs tors. theta energy: -226.829 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: 3, replica: 10 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2677.860451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.860451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.860451 (E_RNA) where: Base-Base interactions energy: -1803.365 where: short stacking energy: -773.433 Base-Backbone interact. energy: -2.994 local terms energy: -871.501421 where: bonds (distance) C4'-P energy: -151.015 bonds (distance) P-C4' energy: -180.555 flat angles C4'-P-C4' energy: -206.869 flat angles P-C4'-P energy: -116.554 tors. eta vs tors. theta energy: -216.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2469.224887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.224887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.224887 (E_RNA) where: Base-Base interactions energy: -1626.512 where: short stacking energy: -726.493 Base-Backbone interact. energy: -1.262 local terms energy: -841.450754 where: bonds (distance) C4'-P energy: -168.692 bonds (distance) P-C4' energy: -172.962 flat angles C4'-P-C4' energy: -189.713 flat angles P-C4'-P energy: -101.503 tors. eta vs tors. theta energy: -208.581 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: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2222.753524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.753524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.753524 (E_RNA) where: Base-Base interactions energy: -1435.893 where: short stacking energy: -670.187 Base-Backbone interact. energy: 0.805 local terms energy: -787.665806 where: bonds (distance) C4'-P energy: -167.463 bonds (distance) P-C4' energy: -146.389 flat angles C4'-P-C4' energy: -183.791 flat angles P-C4'-P energy: -107.052 tors. eta vs tors. theta energy: -182.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1753.589316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.589316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.589316 (E_RNA) where: Base-Base interactions energy: -1064.397 where: short stacking energy: -500.217 Base-Backbone interact. energy: -1.590 local terms energy: -687.602435 where: bonds (distance) C4'-P energy: -156.461 bonds (distance) P-C4' energy: -161.087 flat angles C4'-P-C4' energy: -171.191 flat angles P-C4'-P energy: -90.344 tors. eta vs tors. theta energy: -108.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1609.745329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.745329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.745329 (E_RNA) where: Base-Base interactions energy: -967.461 where: short stacking energy: -460.960 Base-Backbone interact. energy: -2.969 local terms energy: -639.314895 where: bonds (distance) C4'-P energy: -153.781 bonds (distance) P-C4' energy: -153.887 flat angles C4'-P-C4' energy: -157.829 flat angles P-C4'-P energy: -101.057 tors. eta vs tors. theta energy: -72.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1266.797040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.797040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.797040 (E_RNA) where: Base-Base interactions energy: -667.720 where: short stacking energy: -363.803 Base-Backbone interact. energy: 5.751 local terms energy: -604.827978 where: bonds (distance) C4'-P energy: -150.470 bonds (distance) P-C4' energy: -173.254 flat angles C4'-P-C4' energy: -151.609 flat angles P-C4'-P energy: -88.067 tors. eta vs tors. theta energy: -41.429 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: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -912.909378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.909378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.909378 (E_RNA) where: Base-Base interactions energy: -395.975 where: short stacking energy: -273.289 Base-Backbone interact. energy: 11.653 local terms energy: -528.587553 where: bonds (distance) C4'-P energy: -128.782 bonds (distance) P-C4' energy: -170.699 flat angles C4'-P-C4' energy: -135.772 flat angles P-C4'-P energy: -88.928 tors. eta vs tors. theta energy: -4.406 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: 114 Temperature: 1.350000 Total energy: -706.475997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.475997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.475997 (E_RNA) where: Base-Base interactions energy: -281.428 where: short stacking energy: -209.458 Base-Backbone interact. energy: 0.348 local terms energy: -425.396586 where: bonds (distance) C4'-P energy: -125.778 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -127.935 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: 30.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3034.600210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.600210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.600210 (E_RNA) where: Base-Base interactions energy: -2108.238 where: short stacking energy: -873.605 Base-Backbone interact. energy: 2.864 local terms energy: -929.225733 where: bonds (distance) C4'-P energy: -157.772 bonds (distance) P-C4' energy: -190.277 flat angles C4'-P-C4' energy: -215.987 flat angles P-C4'-P energy: -105.670 tors. eta vs tors. theta energy: -259.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2754.385285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.385285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.385285 (E_RNA) where: Base-Base interactions energy: -1815.744 where: short stacking energy: -793.133 Base-Backbone interact. energy: 0.384 local terms energy: -939.024949 where: bonds (distance) C4'-P energy: -180.826 bonds (distance) P-C4' energy: -204.332 flat angles C4'-P-C4' energy: -194.998 flat angles P-C4'-P energy: -130.511 tors. eta vs tors. theta energy: -228.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2696.051495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.051495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.051495 (E_RNA) where: Base-Base interactions energy: -1813.189 where: short stacking energy: -791.478 Base-Backbone interact. energy: -2.282 local terms energy: -880.581006 where: bonds (distance) C4'-P energy: -173.682 bonds (distance) P-C4' energy: -170.431 flat angles C4'-P-C4' energy: -180.109 flat angles P-C4'-P energy: -132.007 tors. eta vs tors. theta energy: -224.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2512.855982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.855982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.855982 (E_RNA) where: Base-Base interactions energy: -1635.701 where: short stacking energy: -746.860 Base-Backbone interact. energy: 0.128 local terms energy: -877.283442 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -171.766 flat angles C4'-P-C4' energy: -207.133 flat angles P-C4'-P energy: -124.075 tors. eta vs tors. theta energy: -221.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2239.546315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.546315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.546315 (E_RNA) where: Base-Base interactions energy: -1451.641 where: short stacking energy: -645.099 Base-Backbone interact. energy: -0.671 local terms energy: -787.234255 where: bonds (distance) C4'-P energy: -164.181 bonds (distance) P-C4' energy: -157.772 flat angles C4'-P-C4' energy: -174.736 flat angles P-C4'-P energy: -121.474 tors. eta vs tors. theta energy: -169.071 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: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1788.397911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.397911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.397911 (E_RNA) where: Base-Base interactions energy: -1129.161 where: short stacking energy: -503.502 Base-Backbone interact. energy: 0.243 local terms energy: -659.479909 where: bonds (distance) C4'-P energy: -132.098 bonds (distance) P-C4' energy: -174.688 flat angles C4'-P-C4' energy: -159.022 flat angles P-C4'-P energy: -82.499 tors. eta vs tors. theta energy: -111.173 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: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1652.608771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.608771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.608771 (E_RNA) where: Base-Base interactions energy: -1037.430 where: short stacking energy: -464.589 Base-Backbone interact. energy: -2.756 local terms energy: -612.423532 where: bonds (distance) C4'-P energy: -123.105 bonds (distance) P-C4' energy: -161.262 flat angles C4'-P-C4' energy: -161.215 flat angles P-C4'-P energy: -88.869 tors. eta vs tors. theta energy: -77.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1082.955080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.955080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.955080 (E_RNA) where: Base-Base interactions energy: -548.645 where: short stacking energy: -314.020 Base-Backbone interact. energy: -0.225 local terms energy: -534.084710 where: bonds (distance) C4'-P energy: -141.503 bonds (distance) P-C4' energy: -140.791 flat angles C4'-P-C4' energy: -130.719 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -32.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -888.820439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.820439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.820439 (E_RNA) where: Base-Base interactions energy: -393.867 where: short stacking energy: -250.691 Base-Backbone interact. energy: -2.148 local terms energy: -492.805128 where: bonds (distance) C4'-P energy: -137.489 bonds (distance) P-C4' energy: -158.947 flat angles C4'-P-C4' energy: -125.074 flat angles P-C4'-P energy: -72.623 tors. eta vs tors. theta energy: 1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -714.537318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.537318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.537318 (E_RNA) where: Base-Base interactions energy: -280.781 where: short stacking energy: -200.509 Base-Backbone interact. energy: 4.329 local terms energy: -438.085470 where: bonds (distance) C4'-P energy: -139.574 bonds (distance) P-C4' energy: -155.116 flat angles C4'-P-C4' energy: -107.816 flat angles P-C4'-P energy: -61.585 tors. eta vs tors. theta energy: 26.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3004.124868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.124868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.124868 (E_RNA) where: Base-Base interactions energy: -2082.471 where: short stacking energy: -890.542 Base-Backbone interact. energy: 4.119 local terms energy: -925.772056 where: bonds (distance) C4'-P energy: -168.326 bonds (distance) P-C4' energy: -193.061 flat angles C4'-P-C4' energy: -194.500 flat angles P-C4'-P energy: -115.038 tors. eta vs tors. theta energy: -254.847 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: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2714.501680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.501680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.501680 (E_RNA) where: Base-Base interactions energy: -1830.475 where: short stacking energy: -798.453 Base-Backbone interact. energy: -2.033 local terms energy: -881.993596 where: bonds (distance) C4'-P energy: -171.685 bonds (distance) P-C4' energy: -181.452 flat angles C4'-P-C4' energy: -188.527 flat angles P-C4'-P energy: -116.893 tors. eta vs tors. theta energy: -223.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2679.903625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.903625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.903625 (E_RNA) where: Base-Base interactions energy: -1787.407 where: short stacking energy: -753.700 Base-Backbone interact. energy: -0.984 local terms energy: -891.513190 where: bonds (distance) C4'-P energy: -187.011 bonds (distance) P-C4' energy: -183.735 flat angles C4'-P-C4' energy: -196.179 flat angles P-C4'-P energy: -117.989 tors. eta vs tors. theta energy: -206.599 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: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2511.839067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.839067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.839067 (E_RNA) where: Base-Base interactions energy: -1659.204 where: short stacking energy: -747.313 Base-Backbone interact. energy: -3.098 local terms energy: -849.537960 where: bonds (distance) C4'-P energy: -180.835 bonds (distance) P-C4' energy: -164.373 flat angles C4'-P-C4' energy: -175.781 flat angles P-C4'-P energy: -116.770 tors. eta vs tors. theta energy: -211.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2273.629860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.629860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.629860 (E_RNA) where: Base-Base interactions energy: -1498.102 where: short stacking energy: -688.316 Base-Backbone interact. energy: 1.970 local terms energy: -777.497159 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -167.252 flat angles C4'-P-C4' energy: -185.676 flat angles P-C4'-P energy: -105.424 tors. eta vs tors. theta energy: -174.533 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: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1819.948048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.948048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.948048 (E_RNA) where: Base-Base interactions energy: -1141.725 where: short stacking energy: -551.045 Base-Backbone interact. energy: 4.468 local terms energy: -682.690465 where: bonds (distance) C4'-P energy: -155.042 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -148.159 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -112.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1652.162606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.162606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.162606 (E_RNA) where: Base-Base interactions energy: -1023.075 where: short stacking energy: -477.833 Base-Backbone interact. energy: 8.634 local terms energy: -637.721712 where: bonds (distance) C4'-P energy: -163.775 bonds (distance) P-C4' energy: -139.731 flat angles C4'-P-C4' energy: -152.504 flat angles P-C4'-P energy: -101.157 tors. eta vs tors. theta energy: -80.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1114.384488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.384488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.384488 (E_RNA) where: Base-Base interactions energy: -588.209 where: short stacking energy: -312.466 Base-Backbone interact. energy: 0.441 local terms energy: -526.616636 where: bonds (distance) C4'-P energy: -162.309 bonds (distance) P-C4' energy: -163.023 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -59.407 tors. eta vs tors. theta energy: -11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -917.208539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.208539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.208539 (E_RNA) where: Base-Base interactions energy: -389.161 where: short stacking energy: -208.325 Base-Backbone interact. energy: -2.230 local terms energy: -525.817881 where: bonds (distance) C4'-P energy: -143.164 bonds (distance) P-C4' energy: -162.564 flat angles C4'-P-C4' energy: -136.245 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: 9.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -644.879537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.879537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.879537 (E_RNA) where: Base-Base interactions energy: -233.824 where: short stacking energy: -197.957 Base-Backbone interact. energy: 5.882 local terms energy: -416.937299 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -165.212 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -55.312 tors. eta vs tors. theta energy: 35.923 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: 117 Temperature: 0.900000 Total energy: -2986.820822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.820822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.820822 (E_RNA) where: Base-Base interactions energy: -2023.012 where: short stacking energy: -837.744 Base-Backbone interact. energy: -2.827 local terms energy: -960.982131 where: bonds (distance) C4'-P energy: -184.364 bonds (distance) P-C4' energy: -192.740 flat angles C4'-P-C4' energy: -211.581 flat angles P-C4'-P energy: -129.915 tors. eta vs tors. theta energy: -242.382 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: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2733.488155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.488155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.488155 (E_RNA) where: Base-Base interactions energy: -1824.045 where: short stacking energy: -835.107 Base-Backbone interact. energy: -2.305 local terms energy: -907.138194 where: bonds (distance) C4'-P energy: -172.177 bonds (distance) P-C4' energy: -172.040 flat angles C4'-P-C4' energy: -209.534 flat angles P-C4'-P energy: -115.099 tors. eta vs tors. theta energy: -238.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2656.363553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.363553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.363553 (E_RNA) where: Base-Base interactions energy: -1796.222 where: short stacking energy: -780.481 Base-Backbone interact. energy: -4.098 local terms energy: -856.043814 where: bonds (distance) C4'-P energy: -154.364 bonds (distance) P-C4' energy: -177.415 flat angles C4'-P-C4' energy: -191.919 flat angles P-C4'-P energy: -109.298 tors. eta vs tors. theta energy: -223.048 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: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2548.583483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.583483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.583483 (E_RNA) where: Base-Base interactions energy: -1674.174 where: short stacking energy: -756.691 Base-Backbone interact. energy: 0.719 local terms energy: -875.128297 where: bonds (distance) C4'-P energy: -168.967 bonds (distance) P-C4' energy: -175.837 flat angles C4'-P-C4' energy: -184.459 flat angles P-C4'-P energy: -130.404 tors. eta vs tors. theta energy: -215.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2230.432543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.432543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.432543 (E_RNA) where: Base-Base interactions energy: -1416.150 where: short stacking energy: -622.864 Base-Backbone interact. energy: -4.265 local terms energy: -810.017458 where: bonds (distance) C4'-P energy: -171.905 bonds (distance) P-C4' energy: -171.880 flat angles C4'-P-C4' energy: -175.324 flat angles P-C4'-P energy: -129.917 tors. eta vs tors. theta energy: -160.991 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: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1939.738157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.738157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.738157 (E_RNA) where: Base-Base interactions energy: -1195.944 where: short stacking energy: -561.023 Base-Backbone interact. energy: -4.284 local terms energy: -739.510006 where: bonds (distance) C4'-P energy: -151.070 bonds (distance) P-C4' energy: -172.594 flat angles C4'-P-C4' energy: -167.325 flat angles P-C4'-P energy: -98.701 tors. eta vs tors. theta energy: -149.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1623.800258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.800258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.800258 (E_RNA) where: Base-Base interactions energy: -996.712 where: short stacking energy: -481.768 Base-Backbone interact. energy: -1.468 local terms energy: -625.620111 where: bonds (distance) C4'-P energy: -156.584 bonds (distance) P-C4' energy: -138.091 flat angles C4'-P-C4' energy: -149.731 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -102.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1108.233394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.233394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.233394 (E_RNA) where: Base-Base interactions energy: -570.516 where: short stacking energy: -318.213 Base-Backbone interact. energy: 0.926 local terms energy: -538.644210 where: bonds (distance) C4'-P energy: -139.965 bonds (distance) P-C4' energy: -176.428 flat angles C4'-P-C4' energy: -141.851 flat angles P-C4'-P energy: -64.184 tors. eta vs tors. theta energy: -16.216 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: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -906.756218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.756218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.756218 (E_RNA) where: Base-Base interactions energy: -443.402 where: short stacking energy: -259.486 Base-Backbone interact. energy: -2.390 local terms energy: -460.963667 where: bonds (distance) C4'-P energy: -121.302 bonds (distance) P-C4' energy: -154.275 flat angles C4'-P-C4' energy: -120.368 flat angles P-C4'-P energy: -67.071 tors. eta vs tors. theta energy: 2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -658.595320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.595320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.595320 (E_RNA) where: Base-Base interactions energy: -237.652 where: short stacking energy: -194.212 Base-Backbone interact. energy: 1.429 local terms energy: -422.371986 where: bonds (distance) C4'-P energy: -122.217 bonds (distance) P-C4' energy: -157.526 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: 40.152 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: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2998.468400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.468400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.468400 (E_RNA) where: Base-Base interactions energy: -2053.393 where: short stacking energy: -857.765 Base-Backbone interact. energy: -6.524 local terms energy: -938.552185 where: bonds (distance) C4'-P energy: -160.089 bonds (distance) P-C4' energy: -187.620 flat angles C4'-P-C4' energy: -203.351 flat angles P-C4'-P energy: -144.846 tors. eta vs tors. theta energy: -242.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2749.341260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.341260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.341260 (E_RNA) where: Base-Base interactions energy: -1839.734 where: short stacking energy: -776.030 Base-Backbone interact. energy: -0.771 local terms energy: -908.836522 where: bonds (distance) C4'-P energy: -162.206 bonds (distance) P-C4' energy: -185.835 flat angles C4'-P-C4' energy: -203.632 flat angles P-C4'-P energy: -145.263 tors. eta vs tors. theta energy: -211.900 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: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2626.256159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.256159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.256159 (E_RNA) where: Base-Base interactions energy: -1754.673 where: short stacking energy: -764.568 Base-Backbone interact. energy: 0.847 local terms energy: -872.430837 where: bonds (distance) C4'-P energy: -166.530 bonds (distance) P-C4' energy: -173.003 flat angles C4'-P-C4' energy: -193.957 flat angles P-C4'-P energy: -128.415 tors. eta vs tors. theta energy: -210.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2532.817078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.817078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.817078 (E_RNA) where: Base-Base interactions energy: -1685.405 where: short stacking energy: -740.886 Base-Backbone interact. energy: -1.687 local terms energy: -845.725241 where: bonds (distance) C4'-P energy: -171.517 bonds (distance) P-C4' energy: -164.648 flat angles C4'-P-C4' energy: -190.395 flat angles P-C4'-P energy: -110.194 tors. eta vs tors. theta energy: -208.972 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: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2244.651108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.651108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.651108 (E_RNA) where: Base-Base interactions energy: -1478.874 where: short stacking energy: -665.988 Base-Backbone interact. energy: -2.357 local terms energy: -763.420445 where: bonds (distance) C4'-P energy: -143.395 bonds (distance) P-C4' energy: -164.210 flat angles C4'-P-C4' energy: -161.604 flat angles P-C4'-P energy: -109.699 tors. eta vs tors. theta energy: -184.513 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: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1887.980419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.980419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.980419 (E_RNA) where: Base-Base interactions energy: -1175.428 where: short stacking energy: -530.038 Base-Backbone interact. energy: 3.904 local terms energy: -716.456937 where: bonds (distance) C4'-P energy: -139.660 bonds (distance) P-C4' energy: -163.972 flat angles C4'-P-C4' energy: -177.546 flat angles P-C4'-P energy: -102.083 tors. eta vs tors. theta energy: -133.195 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: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1670.489439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.489439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.489439 (E_RNA) where: Base-Base interactions energy: -1028.388 where: short stacking energy: -488.091 Base-Backbone interact. energy: 1.103 local terms energy: -643.204478 where: bonds (distance) C4'-P energy: -117.959 bonds (distance) P-C4' energy: -166.044 flat angles C4'-P-C4' energy: -149.884 flat angles P-C4'-P energy: -115.835 tors. eta vs tors. theta energy: -93.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1127.373091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.373091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.373091 (E_RNA) where: Base-Base interactions energy: -570.475 where: short stacking energy: -313.681 Base-Backbone interact. energy: -0.619 local terms energy: -556.278994 where: bonds (distance) C4'-P energy: -144.298 bonds (distance) P-C4' energy: -164.713 flat angles C4'-P-C4' energy: -143.800 flat angles P-C4'-P energy: -79.977 tors. eta vs tors. theta energy: -23.491 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: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -963.874690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.874690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.874690 (E_RNA) where: Base-Base interactions energy: -443.732 where: short stacking energy: -265.784 Base-Backbone interact. energy: 1.125 local terms energy: -521.267666 where: bonds (distance) C4'-P energy: -140.360 bonds (distance) P-C4' energy: -171.747 flat angles C4'-P-C4' energy: -125.567 flat angles P-C4'-P energy: -74.864 tors. eta vs tors. theta energy: -8.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -693.073604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.073604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.073604 (E_RNA) where: Base-Base interactions energy: -233.250 where: short stacking energy: -195.198 Base-Backbone interact. energy: 0.950 local terms energy: -460.773201 where: bonds (distance) C4'-P energy: -146.972 bonds (distance) P-C4' energy: -137.994 flat angles C4'-P-C4' energy: -124.731 flat angles P-C4'-P energy: -80.301 tors. eta vs tors. theta energy: 29.224 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: 1, replica: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2975.800245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.800245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.800245 (E_RNA) where: Base-Base interactions energy: -2072.460 where: short stacking energy: -847.433 Base-Backbone interact. energy: -3.501 local terms energy: -899.839753 where: bonds (distance) C4'-P energy: -148.989 bonds (distance) P-C4' energy: -178.384 flat angles C4'-P-C4' energy: -212.847 flat angles P-C4'-P energy: -117.358 tors. eta vs tors. theta energy: -242.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2801.550946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.550946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.550946 (E_RNA) where: Base-Base interactions energy: -1910.203 where: short stacking energy: -841.580 Base-Backbone interact. energy: -0.270 local terms energy: -891.077715 where: bonds (distance) C4'-P energy: -180.642 bonds (distance) P-C4' energy: -160.044 flat angles C4'-P-C4' energy: -187.851 flat angles P-C4'-P energy: -130.520 tors. eta vs tors. theta energy: -232.020 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: 3, replica: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2617.293464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.293464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.293464 (E_RNA) where: Base-Base interactions energy: -1767.908 where: short stacking energy: -784.945 Base-Backbone interact. energy: -0.818 local terms energy: -848.567441 where: bonds (distance) C4'-P energy: -175.428 bonds (distance) P-C4' energy: -155.867 flat angles C4'-P-C4' energy: -190.060 flat angles P-C4'-P energy: -120.299 tors. eta vs tors. theta energy: -206.912 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: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2559.265042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.265042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.265042 (E_RNA) where: Base-Base interactions energy: -1704.679 where: short stacking energy: -749.980 Base-Backbone interact. energy: -3.661 local terms energy: -850.924752 where: bonds (distance) C4'-P energy: -159.112 bonds (distance) P-C4' energy: -171.160 flat angles C4'-P-C4' energy: -188.299 flat angles P-C4'-P energy: -125.157 tors. eta vs tors. theta energy: -207.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2208.147779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.147779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.147779 (E_RNA) where: Base-Base interactions energy: -1432.875 where: short stacking energy: -649.131 Base-Backbone interact. energy: 2.012 local terms energy: -777.284875 where: bonds (distance) C4'-P energy: -156.958 bonds (distance) P-C4' energy: -179.928 flat angles C4'-P-C4' energy: -169.324 flat angles P-C4'-P energy: -113.992 tors. eta vs tors. theta energy: -157.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1896.720420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.720420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.720420 (E_RNA) where: Base-Base interactions energy: -1182.733 where: short stacking energy: -552.747 Base-Backbone interact. energy: -2.303 local terms energy: -711.684672 where: bonds (distance) C4'-P energy: -153.684 bonds (distance) P-C4' energy: -168.110 flat angles C4'-P-C4' energy: -165.254 flat angles P-C4'-P energy: -85.712 tors. eta vs tors. theta energy: -138.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1663.789477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.789477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.789477 (E_RNA) where: Base-Base interactions energy: -1010.485 where: short stacking energy: -473.520 Base-Backbone interact. energy: -1.766 local terms energy: -651.538173 where: bonds (distance) C4'-P energy: -167.137 bonds (distance) P-C4' energy: -170.200 flat angles C4'-P-C4' energy: -150.560 flat angles P-C4'-P energy: -78.655 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: 8, replica: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1169.739306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.739306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.739306 (E_RNA) where: Base-Base interactions energy: -629.193 where: short stacking energy: -317.511 Base-Backbone interact. energy: -0.841 local terms energy: -539.705128 where: bonds (distance) C4'-P energy: -133.544 bonds (distance) P-C4' energy: -156.213 flat angles C4'-P-C4' energy: -174.226 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -915.426788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.426788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.426788 (E_RNA) where: Base-Base interactions energy: -429.399 where: short stacking energy: -279.511 Base-Backbone interact. energy: 2.787 local terms energy: -488.815107 where: bonds (distance) C4'-P energy: -150.728 bonds (distance) P-C4' energy: -157.843 flat angles C4'-P-C4' energy: -110.967 flat angles P-C4'-P energy: -68.483 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -745.676780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.676780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.676780 (E_RNA) where: Base-Base interactions energy: -268.791 where: short stacking energy: -203.483 Base-Backbone interact. energy: 2.943 local terms energy: -479.828250 where: bonds (distance) C4'-P energy: -156.459 bonds (distance) P-C4' energy: -158.314 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -82.670 tors. eta vs tors. theta energy: 33.209 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: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2893.956312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.956312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.956312 (E_RNA) where: Base-Base interactions energy: -1958.086 where: short stacking energy: -829.451 Base-Backbone interact. energy: -2.177 local terms energy: -933.692639 where: bonds (distance) C4'-P energy: -180.214 bonds (distance) P-C4' energy: -175.011 flat angles C4'-P-C4' energy: -206.017 flat angles P-C4'-P energy: -134.701 tors. eta vs tors. theta energy: -237.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2909.222454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.222454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.222454 (E_RNA) where: Base-Base interactions energy: -2013.972 where: short stacking energy: -855.228 Base-Backbone interact. energy: -2.076 local terms energy: -893.174235 where: bonds (distance) C4'-P energy: -161.536 bonds (distance) P-C4' energy: -175.911 flat angles C4'-P-C4' energy: -207.906 flat angles P-C4'-P energy: -115.028 tors. eta vs tors. theta energy: -232.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2660.672508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.672508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.672508 (E_RNA) where: Base-Base interactions energy: -1781.356 where: short stacking energy: -768.617 Base-Backbone interact. energy: -0.441 local terms energy: -878.875337 where: bonds (distance) C4'-P energy: -186.346 bonds (distance) P-C4' energy: -165.726 flat angles C4'-P-C4' energy: -188.534 flat angles P-C4'-P energy: -118.595 tors. eta vs tors. theta energy: -219.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2533.725889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.725889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.725889 (E_RNA) where: Base-Base interactions energy: -1664.403 where: short stacking energy: -744.684 Base-Backbone interact. energy: 4.896 local terms energy: -874.219084 where: bonds (distance) C4'-P energy: -156.660 bonds (distance) P-C4' energy: -181.253 flat angles C4'-P-C4' energy: -184.154 flat angles P-C4'-P energy: -131.421 tors. eta vs tors. theta energy: -220.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2224.137655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.137655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.137655 (E_RNA) where: Base-Base interactions energy: -1440.512 where: short stacking energy: -652.497 Base-Backbone interact. energy: 3.978 local terms energy: -787.604141 where: bonds (distance) C4'-P energy: -162.246 bonds (distance) P-C4' energy: -163.698 flat angles C4'-P-C4' energy: -183.359 flat angles P-C4'-P energy: -91.498 tors. eta vs tors. theta energy: -186.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1904.986215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.986215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.986215 (E_RNA) where: Base-Base interactions energy: -1176.609 where: short stacking energy: -561.417 Base-Backbone interact. energy: 1.633 local terms energy: -730.010155 where: bonds (distance) C4'-P energy: -154.880 bonds (distance) P-C4' energy: -158.636 flat angles C4'-P-C4' energy: -161.852 flat angles P-C4'-P energy: -115.680 tors. eta vs tors. theta energy: -138.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1630.978733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.978733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.978733 (E_RNA) where: Base-Base interactions energy: -1007.548 where: short stacking energy: -463.070 Base-Backbone interact. energy: -3.992 local terms energy: -619.438426 where: bonds (distance) C4'-P energy: -144.479 bonds (distance) P-C4' energy: -170.873 flat angles C4'-P-C4' energy: -148.748 flat angles P-C4'-P energy: -77.838 tors. eta vs tors. theta energy: -77.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1241.733402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.733402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.733402 (E_RNA) where: Base-Base interactions energy: -656.755 where: short stacking energy: -351.996 Base-Backbone interact. energy: -0.904 local terms energy: -584.074061 where: bonds (distance) C4'-P energy: -157.187 bonds (distance) P-C4' energy: -166.155 flat angles C4'-P-C4' energy: -135.913 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -45.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -849.382370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.382370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.382370 (E_RNA) where: Base-Base interactions energy: -338.422 where: short stacking energy: -214.751 Base-Backbone interact. energy: 2.910 local terms energy: -513.870240 where: bonds (distance) C4'-P energy: -162.616 bonds (distance) P-C4' energy: -139.812 flat angles C4'-P-C4' energy: -147.890 flat angles P-C4'-P energy: -64.427 tors. eta vs tors. theta energy: 0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -680.629067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.629067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.629067 (E_RNA) where: Base-Base interactions energy: -227.299 where: short stacking energy: -159.771 Base-Backbone interact. energy: -1.914 local terms energy: -451.415301 where: bonds (distance) C4'-P energy: -134.726 bonds (distance) P-C4' energy: -151.700 flat angles C4'-P-C4' energy: -132.437 flat angles P-C4'-P energy: -70.137 tors. eta vs tors. theta energy: 37.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2864.724149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.724149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.724149 (E_RNA) where: Base-Base interactions energy: -1941.994 where: short stacking energy: -850.563 Base-Backbone interact. energy: -2.187 local terms energy: -920.543089 where: bonds (distance) C4'-P energy: -162.118 bonds (distance) P-C4' energy: -190.218 flat angles C4'-P-C4' energy: -212.076 flat angles P-C4'-P energy: -125.404 tors. eta vs tors. theta energy: -230.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2902.578458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.578458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.578458 (E_RNA) where: Base-Base interactions energy: -2010.472 where: short stacking energy: -837.497 Base-Backbone interact. energy: 5.099 local terms energy: -897.205470 where: bonds (distance) C4'-P energy: -149.143 bonds (distance) P-C4' energy: -178.392 flat angles C4'-P-C4' energy: -216.638 flat angles P-C4'-P energy: -133.440 tors. eta vs tors. theta energy: -219.592 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: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2614.701692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.701692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.701692 (E_RNA) where: Base-Base interactions energy: -1774.027 where: short stacking energy: -754.142 Base-Backbone interact. energy: -4.667 local terms energy: -836.006981 where: bonds (distance) C4'-P energy: -156.497 bonds (distance) P-C4' energy: -184.230 flat angles C4'-P-C4' energy: -189.913 flat angles P-C4'-P energy: -108.859 tors. eta vs tors. theta energy: -196.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2480.687783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.687783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.687783 (E_RNA) where: Base-Base interactions energy: -1608.191 where: short stacking energy: -698.545 Base-Backbone interact. energy: -1.026 local terms energy: -871.471090 where: bonds (distance) C4'-P energy: -176.955 bonds (distance) P-C4' energy: -154.034 flat angles C4'-P-C4' energy: -199.631 flat angles P-C4'-P energy: -126.485 tors. eta vs tors. theta energy: -214.366 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: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2273.332687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.332687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.332687 (E_RNA) where: Base-Base interactions energy: -1457.289 where: short stacking energy: -662.092 Base-Backbone interact. energy: -4.822 local terms energy: -811.221828 where: bonds (distance) C4'-P energy: -171.610 bonds (distance) P-C4' energy: -156.201 flat angles C4'-P-C4' energy: -178.078 flat angles P-C4'-P energy: -121.156 tors. eta vs tors. theta energy: -184.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1856.190974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.190974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.190974 (E_RNA) where: Base-Base interactions energy: -1173.781 where: short stacking energy: -550.295 Base-Backbone interact. energy: -3.017 local terms energy: -679.392971 where: bonds (distance) C4'-P energy: -163.589 bonds (distance) P-C4' energy: -147.613 flat angles C4'-P-C4' energy: -156.795 flat angles P-C4'-P energy: -97.760 tors. eta vs tors. theta energy: -113.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1609.840406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.840406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.840406 (E_RNA) where: Base-Base interactions energy: -976.893 where: short stacking energy: -436.364 Base-Backbone interact. energy: 0.614 local terms energy: -633.560844 where: bonds (distance) C4'-P energy: -150.901 bonds (distance) P-C4' energy: -146.873 flat angles C4'-P-C4' energy: -166.527 flat angles P-C4'-P energy: -100.683 tors. eta vs tors. theta energy: -68.576 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: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1211.125620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.125620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.125620 (E_RNA) where: Base-Base interactions energy: -655.692 where: short stacking energy: -331.359 Base-Backbone interact. energy: -1.022 local terms energy: -554.412319 where: bonds (distance) C4'-P energy: -166.178 bonds (distance) P-C4' energy: -153.146 flat angles C4'-P-C4' energy: -114.230 flat angles P-C4'-P energy: -109.286 tors. eta vs tors. theta energy: -11.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -857.658394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.658394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.658394 (E_RNA) where: Base-Base interactions energy: -393.017 where: short stacking energy: -219.043 Base-Backbone interact. energy: 0.536 local terms energy: -465.177499 where: bonds (distance) C4'-P energy: -143.200 bonds (distance) P-C4' energy: -152.729 flat angles C4'-P-C4' energy: -131.792 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: 11.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -702.678115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.678115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.678115 (E_RNA) where: Base-Base interactions energy: -278.406 where: short stacking energy: -205.823 Base-Backbone interact. energy: 1.182 local terms energy: -425.454516 where: bonds (distance) C4'-P energy: -139.473 bonds (distance) P-C4' energy: -142.890 flat angles C4'-P-C4' energy: -130.294 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: 31.883 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: 122 Temperature: 0.900000 Total energy: -2986.991161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.991161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.991161 (E_RNA) where: Base-Base interactions energy: -2061.010 where: short stacking energy: -866.453 Base-Backbone interact. energy: -1.572 local terms energy: -924.409395 where: bonds (distance) C4'-P energy: -178.433 bonds (distance) P-C4' energy: -170.389 flat angles C4'-P-C4' energy: -198.868 flat angles P-C4'-P energy: -136.978 tors. eta vs tors. theta energy: -239.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2790.085924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.085924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.085924 (E_RNA) where: Base-Base interactions energy: -1866.173 where: short stacking energy: -842.790 Base-Backbone interact. energy: 0.673 local terms energy: -924.585372 where: bonds (distance) C4'-P energy: -165.201 bonds (distance) P-C4' energy: -185.574 flat angles C4'-P-C4' energy: -218.003 flat angles P-C4'-P energy: -129.850 tors. eta vs tors. theta energy: -225.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2586.057527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.057527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.057527 (E_RNA) where: Base-Base interactions energy: -1759.165 where: short stacking energy: -751.154 Base-Backbone interact. energy: 3.268 local terms energy: -830.160311 where: bonds (distance) C4'-P energy: -159.640 bonds (distance) P-C4' energy: -160.792 flat angles C4'-P-C4' energy: -190.251 flat angles P-C4'-P energy: -118.117 tors. eta vs tors. theta energy: -201.361 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: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2512.387817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.387817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.387817 (E_RNA) where: Base-Base interactions energy: -1682.139 where: short stacking energy: -739.004 Base-Backbone interact. energy: 4.533 local terms energy: -834.781562 where: bonds (distance) C4'-P energy: -161.638 bonds (distance) P-C4' energy: -184.505 flat angles C4'-P-C4' energy: -177.421 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -202.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2246.535526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.535526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.535526 (E_RNA) where: Base-Base interactions energy: -1460.840 where: short stacking energy: -668.249 Base-Backbone interact. energy: -2.657 local terms energy: -783.038006 where: bonds (distance) C4'-P energy: -154.560 bonds (distance) P-C4' energy: -157.745 flat angles C4'-P-C4' energy: -170.333 flat angles P-C4'-P energy: -115.970 tors. eta vs tors. theta energy: -184.431 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: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1841.240013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.240013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.240013 (E_RNA) where: Base-Base interactions energy: -1130.513 where: short stacking energy: -527.380 Base-Backbone interact. energy: -2.786 local terms energy: -707.940548 where: bonds (distance) C4'-P energy: -162.967 bonds (distance) P-C4' energy: -171.284 flat angles C4'-P-C4' energy: -168.911 flat angles P-C4'-P energy: -91.068 tors. eta vs tors. theta energy: -113.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1604.811295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.811295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.811295 (E_RNA) where: Base-Base interactions energy: -957.290 where: short stacking energy: -449.528 Base-Backbone interact. energy: -0.896 local terms energy: -646.625523 where: bonds (distance) C4'-P energy: -139.673 bonds (distance) P-C4' energy: -170.986 flat angles C4'-P-C4' energy: -158.429 flat angles P-C4'-P energy: -112.655 tors. eta vs tors. theta energy: -64.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1212.042931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.042931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.042931 (E_RNA) where: Base-Base interactions energy: -668.645 where: short stacking energy: -352.937 Base-Backbone interact. energy: 0.848 local terms energy: -544.246521 where: bonds (distance) C4'-P energy: -157.737 bonds (distance) P-C4' energy: -159.685 flat angles C4'-P-C4' energy: -126.989 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -29.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -902.987196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.987196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.987196 (E_RNA) where: Base-Base interactions energy: -394.320 where: short stacking energy: -242.645 Base-Backbone interact. energy: 1.869 local terms energy: -510.535960 where: bonds (distance) C4'-P energy: -158.241 bonds (distance) P-C4' energy: -158.253 flat angles C4'-P-C4' energy: -148.330 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: 7.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -779.710577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.710577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.710577 (E_RNA) where: Base-Base interactions energy: -296.295 where: short stacking energy: -208.109 Base-Backbone interact. energy: 9.069 local terms energy: -492.485518 where: bonds (distance) C4'-P energy: -130.387 bonds (distance) P-C4' energy: -148.016 flat angles C4'-P-C4' energy: -155.346 flat angles P-C4'-P energy: -81.375 tors. eta vs tors. theta energy: 22.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2990.431719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.431719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.431719 (E_RNA) where: Base-Base interactions energy: -2051.675 where: short stacking energy: -898.006 Base-Backbone interact. energy: -5.299 local terms energy: -933.457340 where: bonds (distance) C4'-P energy: -160.561 bonds (distance) P-C4' energy: -189.811 flat angles C4'-P-C4' energy: -208.894 flat angles P-C4'-P energy: -126.634 tors. eta vs tors. theta energy: -247.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2756.936864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.936864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.936864 (E_RNA) where: Base-Base interactions energy: -1849.359 where: short stacking energy: -808.337 Base-Backbone interact. energy: -1.858 local terms energy: -905.719783 where: bonds (distance) C4'-P energy: -175.733 bonds (distance) P-C4' energy: -175.072 flat angles C4'-P-C4' energy: -192.458 flat angles P-C4'-P energy: -125.618 tors. eta vs tors. theta energy: -236.839 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: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2738.216457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.216457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.216457 (E_RNA) where: Base-Base interactions energy: -1832.025 where: short stacking energy: -800.001 Base-Backbone interact. energy: -0.087 local terms energy: -906.104829 where: bonds (distance) C4'-P energy: -184.120 bonds (distance) P-C4' energy: -170.930 flat angles C4'-P-C4' energy: -195.576 flat angles P-C4'-P energy: -134.616 tors. eta vs tors. theta energy: -220.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2516.970436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.970436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.970436 (E_RNA) where: Base-Base interactions energy: -1654.102 where: short stacking energy: -718.508 Base-Backbone interact. energy: 2.718 local terms energy: -865.586821 where: bonds (distance) C4'-P energy: -168.976 bonds (distance) P-C4' energy: -165.490 flat angles C4'-P-C4' energy: -206.802 flat angles P-C4'-P energy: -115.841 tors. eta vs tors. theta energy: -208.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2227.097393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.097393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.097393 (E_RNA) where: Base-Base interactions energy: -1448.793 where: short stacking energy: -619.189 Base-Backbone interact. energy: -1.320 local terms energy: -776.983732 where: bonds (distance) C4'-P energy: -163.125 bonds (distance) P-C4' energy: -162.857 flat angles C4'-P-C4' energy: -172.493 flat angles P-C4'-P energy: -120.183 tors. eta vs tors. theta energy: -158.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1853.363544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.363544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.363544 (E_RNA) where: Base-Base interactions energy: -1150.250 where: short stacking energy: -534.191 Base-Backbone interact. energy: 0.366 local terms energy: -703.480047 where: bonds (distance) C4'-P energy: -160.889 bonds (distance) P-C4' energy: -179.128 flat angles C4'-P-C4' energy: -153.143 flat angles P-C4'-P energy: -102.213 tors. eta vs tors. theta energy: -108.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1655.120232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.120232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.120232 (E_RNA) where: Base-Base interactions energy: -1038.241 where: short stacking energy: -511.564 Base-Backbone interact. energy: 1.988 local terms energy: -618.867364 where: bonds (distance) C4'-P energy: -127.119 bonds (distance) P-C4' energy: -138.146 flat angles C4'-P-C4' energy: -149.224 flat angles P-C4'-P energy: -81.243 tors. eta vs tors. theta energy: -123.136 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: 3 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1213.744134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.744134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.744134 (E_RNA) where: Base-Base interactions energy: -634.152 where: short stacking energy: -326.078 Base-Backbone interact. energy: 2.877 local terms energy: -582.469172 where: bonds (distance) C4'-P energy: -169.103 bonds (distance) P-C4' energy: -161.238 flat angles C4'-P-C4' energy: -129.480 flat angles P-C4'-P energy: -87.869 tors. eta vs tors. theta energy: -34.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -887.980247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.980247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.980247 (E_RNA) where: Base-Base interactions energy: -390.566 where: short stacking energy: -261.758 Base-Backbone interact. energy: 0.604 local terms energy: -498.017496 where: bonds (distance) C4'-P energy: -134.224 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -137.622 flat angles P-C4'-P energy: -81.025 tors. eta vs tors. theta energy: 10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -705.783166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.783166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.783166 (E_RNA) where: Base-Base interactions energy: -241.527 where: short stacking energy: -173.848 Base-Backbone interact. energy: 6.613 local terms energy: -470.869131 where: bonds (distance) C4'-P energy: -147.330 bonds (distance) P-C4' energy: -150.907 flat angles C4'-P-C4' energy: -132.429 flat angles P-C4'-P energy: -87.313 tors. eta vs tors. theta energy: 47.109 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2990.206766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.206766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.206766 (E_RNA) where: Base-Base interactions energy: -2040.987 where: short stacking energy: -858.238 Base-Backbone interact. energy: -3.692 local terms energy: -945.528393 where: bonds (distance) C4'-P energy: -188.261 bonds (distance) P-C4' energy: -192.092 flat angles C4'-P-C4' energy: -199.655 flat angles P-C4'-P energy: -132.482 tors. eta vs tors. theta energy: -233.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2784.446877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.446877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.446877 (E_RNA) where: Base-Base interactions energy: -1881.889 where: short stacking energy: -848.396 Base-Backbone interact. energy: -1.993 local terms energy: -900.565366 where: bonds (distance) C4'-P energy: -164.656 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -201.144 flat angles P-C4'-P energy: -129.314 tors. eta vs tors. theta energy: -244.599 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: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2669.903031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.903031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.903031 (E_RNA) where: Base-Base interactions energy: -1803.839 where: short stacking energy: -790.771 Base-Backbone interact. energy: -0.698 local terms energy: -865.365891 where: bonds (distance) C4'-P energy: -163.706 bonds (distance) P-C4' energy: -162.207 flat angles C4'-P-C4' energy: -200.657 flat angles P-C4'-P energy: -111.705 tors. eta vs tors. theta energy: -227.091 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: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2535.432384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.432384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.432384 (E_RNA) where: Base-Base interactions energy: -1707.197 where: short stacking energy: -769.164 Base-Backbone interact. energy: -2.793 local terms energy: -825.442850 where: bonds (distance) C4'-P energy: -169.660 bonds (distance) P-C4' energy: -157.860 flat angles C4'-P-C4' energy: -182.871 flat angles P-C4'-P energy: -105.966 tors. eta vs tors. theta energy: -209.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2251.030049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.030049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.030049 (E_RNA) where: Base-Base interactions energy: -1448.581 where: short stacking energy: -666.272 Base-Backbone interact. energy: -0.156 local terms energy: -802.292835 where: bonds (distance) C4'-P energy: -161.507 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -193.290 flat angles P-C4'-P energy: -131.510 tors. eta vs tors. theta energy: -171.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1865.268121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.268121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.268121 (E_RNA) where: Base-Base interactions energy: -1151.663 where: short stacking energy: -550.959 Base-Backbone interact. energy: -3.134 local terms energy: -710.470599 where: bonds (distance) C4'-P energy: -163.682 bonds (distance) P-C4' energy: -176.897 flat angles C4'-P-C4' energy: -148.158 flat angles P-C4'-P energy: -98.967 tors. eta vs tors. theta energy: -122.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1612.716472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.716472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.716472 (E_RNA) where: Base-Base interactions energy: -951.941 where: short stacking energy: -432.217 Base-Backbone interact. energy: -4.765 local terms energy: -656.011078 where: bonds (distance) C4'-P energy: -144.319 bonds (distance) P-C4' energy: -173.668 flat angles C4'-P-C4' energy: -155.898 flat angles P-C4'-P energy: -111.188 tors. eta vs tors. theta energy: -70.938 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: 8, replica: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1206.246899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.246899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.246899 (E_RNA) where: Base-Base interactions energy: -690.268 where: short stacking energy: -314.635 Base-Backbone interact. energy: -0.620 local terms energy: -515.358959 where: bonds (distance) C4'-P energy: -113.609 bonds (distance) P-C4' energy: -150.682 flat angles C4'-P-C4' energy: -131.865 flat angles P-C4'-P energy: -101.015 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: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -896.117945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.117945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.117945 (E_RNA) where: Base-Base interactions energy: -412.432 where: short stacking energy: -259.913 Base-Backbone interact. energy: 2.319 local terms energy: -486.004529 where: bonds (distance) C4'-P energy: -145.366 bonds (distance) P-C4' energy: -139.146 flat angles C4'-P-C4' energy: -131.069 flat angles P-C4'-P energy: -69.157 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -706.828401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.828401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.828401 (E_RNA) where: Base-Base interactions energy: -286.873 where: short stacking energy: -204.219 Base-Backbone interact. energy: 2.875 local terms energy: -422.830295 where: bonds (distance) C4'-P energy: -152.499 bonds (distance) P-C4' energy: -151.711 flat angles C4'-P-C4' energy: -90.916 flat angles P-C4'-P energy: -64.767 tors. eta vs tors. theta energy: 37.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3027.464200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.464200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.464200 (E_RNA) where: Base-Base interactions energy: -2038.096 where: short stacking energy: -873.619 Base-Backbone interact. energy: -4.927 local terms energy: -984.441132 where: bonds (distance) C4'-P energy: -181.897 bonds (distance) P-C4' energy: -189.001 flat angles C4'-P-C4' energy: -220.291 flat angles P-C4'-P energy: -139.421 tors. eta vs tors. theta energy: -253.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2733.103079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.103079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.103079 (E_RNA) where: Base-Base interactions energy: -1834.891 where: short stacking energy: -787.360 Base-Backbone interact. energy: -1.596 local terms energy: -896.616144 where: bonds (distance) C4'-P energy: -173.144 bonds (distance) P-C4' energy: -182.864 flat angles C4'-P-C4' energy: -190.401 flat angles P-C4'-P energy: -128.308 tors. eta vs tors. theta energy: -221.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2671.983112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.983112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.983112 (E_RNA) where: Base-Base interactions energy: -1809.530 where: short stacking energy: -806.924 Base-Backbone interact. energy: -0.637 local terms energy: -861.816398 where: bonds (distance) C4'-P energy: -168.412 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -195.018 flat angles P-C4'-P energy: -139.421 tors. eta vs tors. theta energy: -217.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2464.889075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.889075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.889075 (E_RNA) where: Base-Base interactions energy: -1626.254 where: short stacking energy: -707.388 Base-Backbone interact. energy: -1.595 local terms energy: -837.040625 where: bonds (distance) C4'-P energy: -168.873 bonds (distance) P-C4' energy: -177.127 flat angles C4'-P-C4' energy: -189.528 flat angles P-C4'-P energy: -120.929 tors. eta vs tors. theta energy: -180.583 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: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2252.925153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.925153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.925153 (E_RNA) where: Base-Base interactions energy: -1495.636 where: short stacking energy: -638.268 Base-Backbone interact. energy: -0.949 local terms energy: -756.340219 where: bonds (distance) C4'-P energy: -148.301 bonds (distance) P-C4' energy: -170.570 flat angles C4'-P-C4' energy: -155.249 flat angles P-C4'-P energy: -120.883 tors. eta vs tors. theta energy: -161.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1890.635128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.635128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.635128 (E_RNA) where: Base-Base interactions energy: -1165.342 where: short stacking energy: -540.111 Base-Backbone interact. energy: -2.454 local terms energy: -722.838975 where: bonds (distance) C4'-P energy: -157.118 bonds (distance) P-C4' energy: -192.781 flat angles C4'-P-C4' energy: -155.818 flat angles P-C4'-P energy: -87.070 tors. eta vs tors. theta energy: -130.052 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: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1623.480162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.480162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.480162 (E_RNA) where: Base-Base interactions energy: -979.435 where: short stacking energy: -480.259 Base-Backbone interact. energy: -0.083 local terms energy: -643.961702 where: bonds (distance) C4'-P energy: -152.199 bonds (distance) P-C4' energy: -155.980 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -95.906 tors. eta vs tors. theta energy: -94.019 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: 3 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1340.091238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.091238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.091238 (E_RNA) where: Base-Base interactions energy: -773.582 where: short stacking energy: -410.895 Base-Backbone interact. energy: 3.635 local terms energy: -570.144080 where: bonds (distance) C4'-P energy: -139.679 bonds (distance) P-C4' energy: -155.814 flat angles C4'-P-C4' energy: -141.722 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -57.125 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -943.537149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.537149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.537149 (E_RNA) where: Base-Base interactions energy: -473.270 where: short stacking energy: -233.314 Base-Backbone interact. energy: -1.770 local terms energy: -468.497072 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -151.678 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -92.324 tors. eta vs tors. theta energy: 12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -677.550821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.550821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.550821 (E_RNA) where: Base-Base interactions energy: -241.137 where: short stacking energy: -188.604 Base-Backbone interact. energy: 2.625 local terms energy: -439.038875 where: bonds (distance) C4'-P energy: -140.592 bonds (distance) P-C4' energy: -149.055 flat angles C4'-P-C4' energy: -134.506 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: 59.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3002.494559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.494559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.494559 (E_RNA) where: Base-Base interactions energy: -2047.919 where: short stacking energy: -879.250 Base-Backbone interact. energy: -4.329 local terms energy: -950.246200 where: bonds (distance) C4'-P energy: -178.090 bonds (distance) P-C4' energy: -169.474 flat angles C4'-P-C4' energy: -214.921 flat angles P-C4'-P energy: -137.902 tors. eta vs tors. theta energy: -249.858 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2747.281910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.281910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.281910 (E_RNA) where: Base-Base interactions energy: -1832.451 where: short stacking energy: -817.420 Base-Backbone interact. energy: 3.017 local terms energy: -917.847792 where: bonds (distance) C4'-P energy: -174.988 bonds (distance) P-C4' energy: -182.760 flat angles C4'-P-C4' energy: -193.290 flat angles P-C4'-P energy: -135.304 tors. eta vs tors. theta energy: -231.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2674.629167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.629167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.629167 (E_RNA) where: Base-Base interactions energy: -1803.205 where: short stacking energy: -755.651 Base-Backbone interact. energy: 2.759 local terms energy: -874.182784 where: bonds (distance) C4'-P energy: -171.269 bonds (distance) P-C4' energy: -172.142 flat angles C4'-P-C4' energy: -193.267 flat angles P-C4'-P energy: -125.017 tors. eta vs tors. theta energy: -212.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2439.979975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.979975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.979975 (E_RNA) where: Base-Base interactions energy: -1616.177 where: short stacking energy: -708.114 Base-Backbone interact. energy: -0.247 local terms energy: -823.556639 where: bonds (distance) C4'-P energy: -192.424 bonds (distance) P-C4' energy: -179.964 flat angles C4'-P-C4' energy: -168.446 flat angles P-C4'-P energy: -105.156 tors. eta vs tors. theta energy: -177.567 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: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2317.730751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.730751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.730751 (E_RNA) where: Base-Base interactions energy: -1535.537 where: short stacking energy: -687.307 Base-Backbone interact. energy: -1.518 local terms energy: -780.676039 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -160.251 flat angles C4'-P-C4' energy: -188.730 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -191.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1938.675087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.675087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.675087 (E_RNA) where: Base-Base interactions energy: -1215.030 where: short stacking energy: -536.482 Base-Backbone interact. energy: -2.434 local terms energy: -721.211446 where: bonds (distance) C4'-P energy: -145.264 bonds (distance) P-C4' energy: -172.323 flat angles C4'-P-C4' energy: -178.390 flat angles P-C4'-P energy: -92.569 tors. eta vs tors. theta energy: -132.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1660.543778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.543778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.543778 (E_RNA) where: Base-Base interactions energy: -1046.652 where: short stacking energy: -478.648 Base-Backbone interact. energy: -2.651 local terms energy: -611.240797 where: bonds (distance) C4'-P energy: -151.884 bonds (distance) P-C4' energy: -140.656 flat angles C4'-P-C4' energy: -138.923 flat angles P-C4'-P energy: -101.458 tors. eta vs tors. theta energy: -78.320 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: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1346.992378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.992378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.992378 (E_RNA) where: Base-Base interactions energy: -737.332 where: short stacking energy: -385.975 Base-Backbone interact. energy: -3.248 local terms energy: -606.412158 where: bonds (distance) C4'-P energy: -162.148 bonds (distance) P-C4' energy: -153.675 flat angles C4'-P-C4' energy: -134.101 flat angles P-C4'-P energy: -101.578 tors. eta vs tors. theta energy: -54.910 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: 126 Temperature: 1.300000 Total energy: -968.697894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.697894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.697894 (E_RNA) where: Base-Base interactions energy: -427.955 where: short stacking energy: -252.714 Base-Backbone interact. energy: -3.900 local terms energy: -536.842106 where: bonds (distance) C4'-P energy: -160.502 bonds (distance) P-C4' energy: -163.213 flat angles C4'-P-C4' energy: -137.608 flat angles P-C4'-P energy: -85.742 tors. eta vs tors. theta energy: 10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -718.725356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.725356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.725356 (E_RNA) where: Base-Base interactions energy: -286.249 where: short stacking energy: -214.795 Base-Backbone interact. energy: 0.802 local terms energy: -433.278445 where: bonds (distance) C4'-P energy: -146.878 bonds (distance) P-C4' energy: -146.116 flat angles C4'-P-C4' energy: -105.203 flat angles P-C4'-P energy: -62.232 tors. eta vs tors. theta energy: 27.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2995.753016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.753016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.753016 (E_RNA) where: Base-Base interactions energy: -2037.883 where: short stacking energy: -886.010 Base-Backbone interact. energy: -1.737 local terms energy: -956.132972 where: bonds (distance) C4'-P energy: -181.872 bonds (distance) P-C4' energy: -179.420 flat angles C4'-P-C4' energy: -198.173 flat angles P-C4'-P energy: -143.743 tors. eta vs tors. theta energy: -252.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2710.217571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.217571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.217571 (E_RNA) where: Base-Base interactions energy: -1799.535 where: short stacking energy: -796.855 Base-Backbone interact. energy: 1.046 local terms energy: -911.728295 where: bonds (distance) C4'-P energy: -174.000 bonds (distance) P-C4' energy: -186.367 flat angles C4'-P-C4' energy: -191.176 flat angles P-C4'-P energy: -137.037 tors. eta vs tors. theta energy: -223.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2569.965884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.965884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.965884 (E_RNA) where: Base-Base interactions energy: -1710.748 where: short stacking energy: -739.630 Base-Backbone interact. energy: -3.786 local terms energy: -855.432265 where: bonds (distance) C4'-P energy: -169.474 bonds (distance) P-C4' energy: -190.346 flat angles C4'-P-C4' energy: -184.795 flat angles P-C4'-P energy: -98.466 tors. eta vs tors. theta energy: -212.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2390.331772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.331772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.331772 (E_RNA) where: Base-Base interactions energy: -1571.981 where: short stacking energy: -713.786 Base-Backbone interact. energy: -2.430 local terms energy: -815.920196 where: bonds (distance) C4'-P energy: -158.622 bonds (distance) P-C4' energy: -159.730 flat angles C4'-P-C4' energy: -192.422 flat angles P-C4'-P energy: -115.271 tors. eta vs tors. theta energy: -189.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2445.134201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.134201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.134201 (E_RNA) where: Base-Base interactions energy: -1648.602 where: short stacking energy: -691.720 Base-Backbone interact. energy: -4.045 local terms energy: -792.487208 where: bonds (distance) C4'-P energy: -166.118 bonds (distance) P-C4' energy: -158.585 flat angles C4'-P-C4' energy: -178.037 flat angles P-C4'-P energy: -108.051 tors. eta vs tors. theta energy: -181.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1944.245030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.245030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.245030 (E_RNA) where: Base-Base interactions energy: -1204.950 where: short stacking energy: -559.833 Base-Backbone interact. energy: -3.561 local terms energy: -735.734748 where: bonds (distance) C4'-P energy: -145.864 bonds (distance) P-C4' energy: -177.159 flat angles C4'-P-C4' energy: -171.983 flat angles P-C4'-P energy: -104.404 tors. eta vs tors. theta energy: -136.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1644.942736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.942736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.942736 (E_RNA) where: Base-Base interactions energy: -1007.945 where: short stacking energy: -468.324 Base-Backbone interact. energy: -2.259 local terms energy: -634.738686 where: bonds (distance) C4'-P energy: -150.132 bonds (distance) P-C4' energy: -168.611 flat angles C4'-P-C4' energy: -161.425 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -72.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1360.600276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.600276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.600276 (E_RNA) where: Base-Base interactions energy: -793.529 where: short stacking energy: -389.891 Base-Backbone interact. energy: 9.584 local terms energy: -576.655291 where: bonds (distance) C4'-P energy: -144.277 bonds (distance) P-C4' energy: -157.003 flat angles C4'-P-C4' energy: -143.643 flat angles P-C4'-P energy: -89.005 tors. eta vs tors. theta energy: -42.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -965.874367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.874367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.874367 (E_RNA) where: Base-Base interactions energy: -484.502 where: short stacking energy: -281.884 Base-Backbone interact. energy: 0.108 local terms energy: -481.480211 where: bonds (distance) C4'-P energy: -117.420 bonds (distance) P-C4' energy: -158.801 flat angles C4'-P-C4' energy: -143.870 flat angles P-C4'-P energy: -60.111 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -740.794615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.794615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.794615 (E_RNA) where: Base-Base interactions energy: -290.519 where: short stacking energy: -214.321 Base-Backbone interact. energy: 1.968 local terms energy: -452.242989 where: bonds (distance) C4'-P energy: -133.429 bonds (distance) P-C4' energy: -146.845 flat angles C4'-P-C4' energy: -127.257 flat angles P-C4'-P energy: -77.131 tors. eta vs tors. theta energy: 32.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2996.518786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.518786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.518786 (E_RNA) where: Base-Base interactions energy: -2033.205 where: short stacking energy: -858.651 Base-Backbone interact. energy: 1.373 local terms energy: -964.686390 where: bonds (distance) C4'-P energy: -171.093 bonds (distance) P-C4' energy: -188.755 flat angles C4'-P-C4' energy: -212.789 flat angles P-C4'-P energy: -140.773 tors. eta vs tors. theta energy: -251.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2706.337178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.337178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.337178 (E_RNA) where: Base-Base interactions energy: -1826.935 where: short stacking energy: -788.207 Base-Backbone interact. energy: 3.302 local terms energy: -882.704693 where: bonds (distance) C4'-P energy: -179.923 bonds (distance) P-C4' energy: -181.682 flat angles C4'-P-C4' energy: -201.812 flat angles P-C4'-P energy: -112.550 tors. eta vs tors. theta energy: -206.739 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: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2575.245969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.245969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.245969 (E_RNA) where: Base-Base interactions energy: -1676.279 where: short stacking energy: -761.256 Base-Backbone interact. energy: 1.054 local terms energy: -900.020552 where: bonds (distance) C4'-P energy: -173.579 bonds (distance) P-C4' energy: -185.988 flat angles C4'-P-C4' energy: -205.300 flat angles P-C4'-P energy: -128.756 tors. eta vs tors. theta energy: -206.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2416.612572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.612572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.612572 (E_RNA) where: Base-Base interactions energy: -1559.330 where: short stacking energy: -692.933 Base-Backbone interact. energy: 0.906 local terms energy: -858.188826 where: bonds (distance) C4'-P energy: -167.816 bonds (distance) P-C4' energy: -178.823 flat angles C4'-P-C4' energy: -208.350 flat angles P-C4'-P energy: -113.307 tors. eta vs tors. theta energy: -189.893 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: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2358.586125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.586125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.586125 (E_RNA) where: Base-Base interactions energy: -1560.070 where: short stacking energy: -688.810 Base-Backbone interact. energy: -3.077 local terms energy: -795.439794 where: bonds (distance) C4'-P energy: -162.076 bonds (distance) P-C4' energy: -172.666 flat angles C4'-P-C4' energy: -170.351 flat angles P-C4'-P energy: -106.901 tors. eta vs tors. theta energy: -183.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1943.530638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.530638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.530638 (E_RNA) where: Base-Base interactions energy: -1233.036 where: short stacking energy: -566.724 Base-Backbone interact. energy: 3.668 local terms energy: -714.162228 where: bonds (distance) C4'-P energy: -159.808 bonds (distance) P-C4' energy: -136.459 flat angles C4'-P-C4' energy: -171.588 flat angles P-C4'-P energy: -110.687 tors. eta vs tors. theta energy: -135.621 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: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1670.077341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.077341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.077341 (E_RNA) where: Base-Base interactions energy: -1001.600 where: short stacking energy: -472.112 Base-Backbone interact. energy: 3.153 local terms energy: -671.631065 where: bonds (distance) C4'-P energy: -149.768 bonds (distance) P-C4' energy: -188.928 flat angles C4'-P-C4' energy: -144.755 flat angles P-C4'-P energy: -98.694 tors. eta vs tors. theta energy: -89.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1441.916615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.916615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.916615 (E_RNA) where: Base-Base interactions energy: -872.717 where: short stacking energy: -437.646 Base-Backbone interact. energy: 2.854 local terms energy: -572.053411 where: bonds (distance) C4'-P energy: -141.167 bonds (distance) P-C4' energy: -153.396 flat angles C4'-P-C4' energy: -114.680 flat angles P-C4'-P energy: -81.499 tors. eta vs tors. theta energy: -81.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -957.570156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.570156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.570156 (E_RNA) where: Base-Base interactions energy: -479.881 where: short stacking energy: -243.201 Base-Backbone interact. energy: 0.826 local terms energy: -478.514750 where: bonds (distance) C4'-P energy: -130.557 bonds (distance) P-C4' energy: -148.821 flat angles C4'-P-C4' energy: -125.261 flat angles P-C4'-P energy: -73.486 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -705.202202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.202202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.202202 (E_RNA) where: Base-Base interactions energy: -263.907 where: short stacking energy: -215.979 Base-Backbone interact. energy: 11.258 local terms energy: -452.553192 where: bonds (distance) C4'-P energy: -147.837 bonds (distance) P-C4' energy: -160.233 flat angles C4'-P-C4' energy: -114.427 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: 22.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2985.501007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.501007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.501007 (E_RNA) where: Base-Base interactions energy: -2040.413 where: short stacking energy: -872.859 Base-Backbone interact. energy: -5.640 local terms energy: -939.448330 where: bonds (distance) C4'-P energy: -187.514 bonds (distance) P-C4' energy: -168.410 flat angles C4'-P-C4' energy: -196.889 flat angles P-C4'-P energy: -140.714 tors. eta vs tors. theta energy: -245.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2692.312720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.312720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.312720 (E_RNA) where: Base-Base interactions energy: -1786.713 where: short stacking energy: -801.491 Base-Backbone interact. energy: 0.054 local terms energy: -905.654269 where: bonds (distance) C4'-P energy: -185.978 bonds (distance) P-C4' energy: -185.466 flat angles C4'-P-C4' energy: -189.011 flat angles P-C4'-P energy: -132.352 tors. eta vs tors. theta energy: -212.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2486.460847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.460847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.460847 (E_RNA) where: Base-Base interactions energy: -1615.658 where: short stacking energy: -746.274 Base-Backbone interact. energy: -0.964 local terms energy: -869.838603 where: bonds (distance) C4'-P energy: -180.412 bonds (distance) P-C4' energy: -179.007 flat angles C4'-P-C4' energy: -200.905 flat angles P-C4'-P energy: -118.015 tors. eta vs tors. theta energy: -191.499 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: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2522.684085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.684085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.684085 (E_RNA) where: Base-Base interactions energy: -1675.658 where: short stacking energy: -759.485 Base-Backbone interact. energy: -1.696 local terms energy: -845.329570 where: bonds (distance) C4'-P energy: -177.737 bonds (distance) P-C4' energy: -165.853 flat angles C4'-P-C4' energy: -186.476 flat angles P-C4'-P energy: -108.969 tors. eta vs tors. theta energy: -206.294 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: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2288.952168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.952168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.952168 (E_RNA) where: Base-Base interactions energy: -1466.624 where: short stacking energy: -666.963 Base-Backbone interact. energy: 0.131 local terms energy: -822.458653 where: bonds (distance) C4'-P energy: -167.685 bonds (distance) P-C4' energy: -175.936 flat angles C4'-P-C4' energy: -178.386 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -187.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1919.969641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.969641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.969641 (E_RNA) where: Base-Base interactions energy: -1204.865 where: short stacking energy: -547.744 Base-Backbone interact. energy: -2.547 local terms energy: -712.557603 where: bonds (distance) C4'-P energy: -157.137 bonds (distance) P-C4' energy: -168.520 flat angles C4'-P-C4' energy: -175.039 flat angles P-C4'-P energy: -101.137 tors. eta vs tors. theta energy: -110.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1623.012278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.012278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.012278 (E_RNA) where: Base-Base interactions energy: -998.275 where: short stacking energy: -467.139 Base-Backbone interact. energy: 1.898 local terms energy: -626.634945 where: bonds (distance) C4'-P energy: -139.996 bonds (distance) P-C4' energy: -151.082 flat angles C4'-P-C4' energy: -162.950 flat angles P-C4'-P energy: -90.958 tors. eta vs tors. theta energy: -81.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1493.061797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.061797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.061797 (E_RNA) where: Base-Base interactions energy: -905.816 where: short stacking energy: -435.973 Base-Backbone interact. energy: -0.600 local terms energy: -586.646255 where: bonds (distance) C4'-P energy: -152.873 bonds (distance) P-C4' energy: -165.605 flat angles C4'-P-C4' energy: -123.804 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -56.513 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: 129 Temperature: 1.300000 Total energy: -936.025339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.025339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.025339 (E_RNA) where: Base-Base interactions energy: -431.617 where: short stacking energy: -278.477 Base-Backbone interact. energy: 3.420 local terms energy: -507.827667 where: bonds (distance) C4'-P energy: -144.199 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -128.475 flat angles P-C4'-P energy: -75.177 tors. eta vs tors. theta energy: -6.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -692.555986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.555986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.555986 (E_RNA) where: Base-Base interactions energy: -257.771 where: short stacking energy: -207.501 Base-Backbone interact. energy: -3.588 local terms energy: -431.197031 where: bonds (distance) C4'-P energy: -157.518 bonds (distance) P-C4' energy: -159.525 flat angles C4'-P-C4' energy: -110.921 flat angles P-C4'-P energy: -49.218 tors. eta vs tors. theta energy: 45.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2982.271707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.271707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.271707 (E_RNA) where: Base-Base interactions energy: -2024.733 where: short stacking energy: -889.430 Base-Backbone interact. energy: -4.853 local terms energy: -952.685563 where: bonds (distance) C4'-P energy: -189.081 bonds (distance) P-C4' energy: -168.457 flat angles C4'-P-C4' energy: -200.592 flat angles P-C4'-P energy: -137.666 tors. eta vs tors. theta energy: -256.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2698.304789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.304789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.304789 (E_RNA) where: Base-Base interactions energy: -1805.942 where: short stacking energy: -791.673 Base-Backbone interact. energy: -3.216 local terms energy: -889.147109 where: bonds (distance) C4'-P energy: -184.496 bonds (distance) P-C4' energy: -179.914 flat angles C4'-P-C4' energy: -193.329 flat angles P-C4'-P energy: -109.731 tors. eta vs tors. theta energy: -221.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2563.274624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.274624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.274624 (E_RNA) where: Base-Base interactions energy: -1689.545 where: short stacking energy: -776.994 Base-Backbone interact. energy: -3.667 local terms energy: -870.062756 where: bonds (distance) C4'-P energy: -167.195 bonds (distance) P-C4' energy: -161.324 flat angles C4'-P-C4' energy: -191.497 flat angles P-C4'-P energy: -125.221 tors. eta vs tors. theta energy: -224.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2533.973389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.973389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.973389 (E_RNA) where: Base-Base interactions energy: -1667.804 where: short stacking energy: -726.117 Base-Backbone interact. energy: -4.803 local terms energy: -861.366088 where: bonds (distance) C4'-P energy: -158.485 bonds (distance) P-C4' energy: -175.984 flat angles C4'-P-C4' energy: -201.763 flat angles P-C4'-P energy: -125.970 tors. eta vs tors. theta energy: -199.165 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: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2227.088613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.088613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.088613 (E_RNA) where: Base-Base interactions energy: -1474.738 where: short stacking energy: -677.938 Base-Backbone interact. energy: -5.151 local terms energy: -747.198810 where: bonds (distance) C4'-P energy: -167.277 bonds (distance) P-C4' energy: -139.990 flat angles C4'-P-C4' energy: -168.263 flat angles P-C4'-P energy: -104.750 tors. eta vs tors. theta energy: -166.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1892.703626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.703626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.703626 (E_RNA) where: Base-Base interactions energy: -1208.989 where: short stacking energy: -557.183 Base-Backbone interact. energy: -2.393 local terms energy: -681.322045 where: bonds (distance) C4'-P energy: -150.765 bonds (distance) P-C4' energy: -142.837 flat angles C4'-P-C4' energy: -157.290 flat angles P-C4'-P energy: -104.128 tors. eta vs tors. theta energy: -126.302 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: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1648.383483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.383483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.383483 (E_RNA) where: Base-Base interactions energy: -1030.971 where: short stacking energy: -459.333 Base-Backbone interact. energy: -1.122 local terms energy: -616.289949 where: bonds (distance) C4'-P energy: -156.834 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -139.002 flat angles P-C4'-P energy: -90.416 tors. eta vs tors. theta energy: -80.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1524.990867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.990867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.990867 (E_RNA) where: Base-Base interactions energy: -928.832 where: short stacking energy: -438.926 Base-Backbone interact. energy: 0.037 local terms energy: -596.196051 where: bonds (distance) C4'-P energy: -131.530 bonds (distance) P-C4' energy: -154.558 flat angles C4'-P-C4' energy: -156.739 flat angles P-C4'-P energy: -77.693 tors. eta vs tors. theta energy: -75.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -872.969933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.969933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.969933 (E_RNA) where: Base-Base interactions energy: -391.959 where: short stacking energy: -247.345 Base-Backbone interact. energy: -1.963 local terms energy: -479.047994 where: bonds (distance) C4'-P energy: -156.616 bonds (distance) P-C4' energy: -139.956 flat angles C4'-P-C4' energy: -130.958 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: 7.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -650.850570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.850570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.850570 (E_RNA) where: Base-Base interactions energy: -176.728 where: short stacking energy: -162.318 Base-Backbone interact. energy: 3.250 local terms energy: -477.372061 where: bonds (distance) C4'-P energy: -169.486 bonds (distance) P-C4' energy: -173.451 flat angles C4'-P-C4' energy: -117.268 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: 41.706 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: 131 Temperature: 0.900000 Total energy: -2974.899964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.899964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.899964 (E_RNA) where: Base-Base interactions energy: -2064.481 where: short stacking energy: -881.037 Base-Backbone interact. energy: -2.959 local terms energy: -907.460130 where: bonds (distance) C4'-P energy: -169.849 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -205.561 flat angles P-C4'-P energy: -126.494 tors. eta vs tors. theta energy: -251.142 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: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2733.762558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.762558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.762558 (E_RNA) where: Base-Base interactions energy: -1808.734 where: short stacking energy: -782.812 Base-Backbone interact. energy: -2.603 local terms energy: -922.425871 where: bonds (distance) C4'-P energy: -177.959 bonds (distance) P-C4' energy: -185.950 flat angles C4'-P-C4' energy: -196.790 flat angles P-C4'-P energy: -127.155 tors. eta vs tors. theta energy: -234.571 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: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2562.884095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.884095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.884095 (E_RNA) where: Base-Base interactions energy: -1684.009 where: short stacking energy: -749.855 Base-Backbone interact. energy: -5.934 local terms energy: -872.940519 where: bonds (distance) C4'-P energy: -167.510 bonds (distance) P-C4' energy: -180.138 flat angles C4'-P-C4' energy: -189.567 flat angles P-C4'-P energy: -124.767 tors. eta vs tors. theta energy: -210.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2539.936521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.936521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.936521 (E_RNA) where: Base-Base interactions energy: -1687.247 where: short stacking energy: -733.829 Base-Backbone interact. energy: -3.191 local terms energy: -849.498639 where: bonds (distance) C4'-P energy: -160.736 bonds (distance) P-C4' energy: -170.604 flat angles C4'-P-C4' energy: -194.397 flat angles P-C4'-P energy: -128.115 tors. eta vs tors. theta energy: -195.647 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: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2237.547853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.547853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.547853 (E_RNA) where: Base-Base interactions energy: -1480.974 where: short stacking energy: -682.976 Base-Backbone interact. energy: -0.256 local terms energy: -756.317541 where: bonds (distance) C4'-P energy: -128.024 bonds (distance) P-C4' energy: -173.126 flat angles C4'-P-C4' energy: -178.981 flat angles P-C4'-P energy: -107.394 tors. eta vs tors. theta energy: -168.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1965.405119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.405119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.405119 (E_RNA) where: Base-Base interactions energy: -1255.835 where: short stacking energy: -556.488 Base-Backbone interact. energy: 2.920 local terms energy: -712.490929 where: bonds (distance) C4'-P energy: -159.255 bonds (distance) P-C4' energy: -151.712 flat angles C4'-P-C4' energy: -162.408 flat angles P-C4'-P energy: -100.134 tors. eta vs tors. theta energy: -138.981 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: 131 Temperature: 1.200000 Total energy: -1681.604511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.604511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.604511 (E_RNA) where: Base-Base interactions energy: -1033.220 where: short stacking energy: -436.846 Base-Backbone interact. energy: -2.193 local terms energy: -646.191551 where: bonds (distance) C4'-P energy: -135.371 bonds (distance) P-C4' energy: -188.222 flat angles C4'-P-C4' energy: -147.615 flat angles P-C4'-P energy: -101.644 tors. eta vs tors. theta energy: -73.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1517.065928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.065928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.065928 (E_RNA) where: Base-Base interactions energy: -944.427 where: short stacking energy: -432.039 Base-Backbone interact. energy: 8.099 local terms energy: -580.737727 where: bonds (distance) C4'-P energy: -123.446 bonds (distance) P-C4' energy: -150.186 flat angles C4'-P-C4' energy: -140.870 flat angles P-C4'-P energy: -94.084 tors. eta vs tors. theta energy: -72.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -913.404498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.404498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.404498 (E_RNA) where: Base-Base interactions energy: -415.462 where: short stacking energy: -248.572 Base-Backbone interact. energy: 3.548 local terms energy: -501.490706 where: bonds (distance) C4'-P energy: -125.320 bonds (distance) P-C4' energy: -166.730 flat angles C4'-P-C4' energy: -132.955 flat angles P-C4'-P energy: -80.103 tors. eta vs tors. theta energy: 3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -708.417448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.417448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.417448 (E_RNA) where: Base-Base interactions energy: -229.090 where: short stacking energy: -184.647 Base-Backbone interact. energy: -3.605 local terms energy: -475.722584 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -129.092 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: 21.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3009.512237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.512237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.512237 (E_RNA) where: Base-Base interactions energy: -2070.615 where: short stacking energy: -894.290 Base-Backbone interact. energy: -5.728 local terms energy: -933.168846 where: bonds (distance) C4'-P energy: -178.761 bonds (distance) P-C4' energy: -186.097 flat angles C4'-P-C4' energy: -193.846 flat angles P-C4'-P energy: -114.353 tors. eta vs tors. theta energy: -260.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2741.769009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.769009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.769009 (E_RNA) where: Base-Base interactions energy: -1813.978 where: short stacking energy: -810.844 Base-Backbone interact. energy: -3.666 local terms energy: -924.124483 where: bonds (distance) C4'-P energy: -187.850 bonds (distance) P-C4' energy: -169.139 flat angles C4'-P-C4' energy: -198.980 flat angles P-C4'-P energy: -133.922 tors. eta vs tors. theta energy: -234.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2520.955629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.955629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.955629 (E_RNA) where: Base-Base interactions energy: -1682.759 where: short stacking energy: -796.481 Base-Backbone interact. energy: -2.871 local terms energy: -835.324679 where: bonds (distance) C4'-P energy: -159.622 bonds (distance) P-C4' energy: -170.134 flat angles C4'-P-C4' energy: -187.431 flat angles P-C4'-P energy: -118.183 tors. eta vs tors. theta energy: -199.955 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: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2473.276358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.276358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.276358 (E_RNA) where: Base-Base interactions energy: -1662.665 where: short stacking energy: -736.571 Base-Backbone interact. energy: -5.147 local terms energy: -805.463571 where: bonds (distance) C4'-P energy: -155.642 bonds (distance) P-C4' energy: -169.189 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -116.836 tors. eta vs tors. theta energy: -186.967 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: 132 Temperature: 1.100000 Total energy: -2261.598827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.598827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.598827 (E_RNA) where: Base-Base interactions energy: -1488.135 where: short stacking energy: -674.160 Base-Backbone interact. energy: 3.701 local terms energy: -777.165206 where: bonds (distance) C4'-P energy: -163.096 bonds (distance) P-C4' energy: -157.040 flat angles C4'-P-C4' energy: -183.617 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -158.366 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: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2027.931326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.931326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.931326 (E_RNA) where: Base-Base interactions energy: -1272.773 where: short stacking energy: -621.636 Base-Backbone interact. energy: 0.454 local terms energy: -755.612594 where: bonds (distance) C4'-P energy: -173.890 bonds (distance) P-C4' energy: -167.216 flat angles C4'-P-C4' energy: -150.836 flat angles P-C4'-P energy: -98.147 tors. eta vs tors. theta energy: -165.523 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: 132 Temperature: 1.200000 Total energy: -1683.671412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.671412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.671412 (E_RNA) where: Base-Base interactions energy: -1015.707 where: short stacking energy: -475.709 Base-Backbone interact. energy: -2.611 local terms energy: -665.352978 where: bonds (distance) C4'-P energy: -132.661 bonds (distance) P-C4' energy: -172.092 flat angles C4'-P-C4' energy: -166.066 flat angles P-C4'-P energy: -95.228 tors. eta vs tors. theta energy: -99.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1538.069825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.069825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.069825 (E_RNA) where: Base-Base interactions energy: -919.363 where: short stacking energy: -445.422 Base-Backbone interact. energy: 1.703 local terms energy: -620.409656 where: bonds (distance) C4'-P energy: -145.806 bonds (distance) P-C4' energy: -182.808 flat angles C4'-P-C4' energy: -142.067 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -62.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -851.683995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.683995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.683995 (E_RNA) where: Base-Base interactions energy: -368.140 where: short stacking energy: -220.170 Base-Backbone interact. energy: 4.451 local terms energy: -487.994820 where: bonds (distance) C4'-P energy: -144.904 bonds (distance) P-C4' energy: -167.157 flat angles C4'-P-C4' energy: -122.936 flat angles P-C4'-P energy: -60.040 tors. eta vs tors. theta energy: 7.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -749.034755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.034755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.034755 (E_RNA) where: Base-Base interactions energy: -275.874 where: short stacking energy: -194.902 Base-Backbone interact. energy: 3.096 local terms energy: -476.256668 where: bonds (distance) C4'-P energy: -145.496 bonds (distance) P-C4' energy: -147.896 flat angles C4'-P-C4' energy: -137.747 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: 7.695 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: 133 Temperature: 0.900000 Total energy: -2978.012685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.012685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.012685 (E_RNA) where: Base-Base interactions energy: -2028.922 where: short stacking energy: -832.645 Base-Backbone interact. energy: -3.225 local terms energy: -945.865244 where: bonds (distance) C4'-P energy: -182.053 bonds (distance) P-C4' energy: -173.322 flat angles C4'-P-C4' energy: -215.373 flat angles P-C4'-P energy: -133.472 tors. eta vs tors. theta energy: -241.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2768.997494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.997494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.997494 (E_RNA) where: Base-Base interactions energy: -1854.051 where: short stacking energy: -805.935 Base-Backbone interact. energy: 6.257 local terms energy: -921.203306 where: bonds (distance) C4'-P energy: -148.717 bonds (distance) P-C4' energy: -187.684 flat angles C4'-P-C4' energy: -214.342 flat angles P-C4'-P energy: -138.240 tors. eta vs tors. theta energy: -232.220 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: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2532.274275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.274275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.274275 (E_RNA) where: Base-Base interactions energy: -1675.876 where: short stacking energy: -775.411 Base-Backbone interact. energy: -1.775 local terms energy: -854.623181 where: bonds (distance) C4'-P energy: -161.376 bonds (distance) P-C4' energy: -183.322 flat angles C4'-P-C4' energy: -191.351 flat angles P-C4'-P energy: -116.260 tors. eta vs tors. theta energy: -202.314 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: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2484.982848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.982848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.982848 (E_RNA) where: Base-Base interactions energy: -1665.329 where: short stacking energy: -704.459 Base-Backbone interact. energy: -0.335 local terms energy: -819.319795 where: bonds (distance) C4'-P energy: -161.749 bonds (distance) P-C4' energy: -181.936 flat angles C4'-P-C4' energy: -189.207 flat angles P-C4'-P energy: -112.162 tors. eta vs tors. theta energy: -174.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2302.679465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.679465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.679465 (E_RNA) where: Base-Base interactions energy: -1497.919 where: short stacking energy: -653.732 Base-Backbone interact. energy: 0.227 local terms energy: -804.987257 where: bonds (distance) C4'-P energy: -171.714 bonds (distance) P-C4' energy: -173.893 flat angles C4'-P-C4' energy: -191.791 flat angles P-C4'-P energy: -114.005 tors. eta vs tors. theta energy: -153.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1983.107529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.107529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.107529 (E_RNA) where: Base-Base interactions energy: -1270.130 where: short stacking energy: -585.171 Base-Backbone interact. energy: -3.195 local terms energy: -709.782580 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -158.816 flat angles C4'-P-C4' energy: -148.564 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -146.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1617.297152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.297152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.297152 (E_RNA) where: Base-Base interactions energy: -993.263 where: short stacking energy: -494.490 Base-Backbone interact. energy: 5.513 local terms energy: -629.547863 where: bonds (distance) C4'-P energy: -160.260 bonds (distance) P-C4' energy: -169.786 flat angles C4'-P-C4' energy: -137.685 flat angles P-C4'-P energy: -88.306 tors. eta vs tors. theta energy: -73.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1495.854214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.854214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.854214 (E_RNA) where: Base-Base interactions energy: -905.053 where: short stacking energy: -416.429 Base-Backbone interact. energy: 1.518 local terms energy: -592.319245 where: bonds (distance) C4'-P energy: -146.312 bonds (distance) P-C4' energy: -148.591 flat angles C4'-P-C4' energy: -137.489 flat angles P-C4'-P energy: -95.136 tors. eta vs tors. theta energy: -64.791 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: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -883.978945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.978945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.978945 (E_RNA) where: Base-Base interactions energy: -387.132 where: short stacking energy: -255.468 Base-Backbone interact. energy: 9.286 local terms energy: -506.132687 where: bonds (distance) C4'-P energy: -144.697 bonds (distance) P-C4' energy: -149.398 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -74.934 tors. eta vs tors. theta energy: 7.989 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: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -780.612057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.612057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.612057 (E_RNA) where: Base-Base interactions energy: -325.171 where: short stacking energy: -219.746 Base-Backbone interact. energy: 2.286 local terms energy: -457.726182 where: bonds (distance) C4'-P energy: -157.475 bonds (distance) P-C4' energy: -160.039 flat angles C4'-P-C4' energy: -127.827 flat angles P-C4'-P energy: -64.715 tors. eta vs tors. theta energy: 52.331 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: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3000.601470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.601470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.601470 (E_RNA) where: Base-Base interactions energy: -2059.635 where: short stacking energy: -867.353 Base-Backbone interact. energy: -4.985 local terms energy: -935.981207 where: bonds (distance) C4'-P energy: -182.865 bonds (distance) P-C4' energy: -183.969 flat angles C4'-P-C4' energy: -191.728 flat angles P-C4'-P energy: -136.288 tors. eta vs tors. theta energy: -241.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2745.865126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.865126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.865126 (E_RNA) where: Base-Base interactions energy: -1856.429 where: short stacking energy: -798.447 Base-Backbone interact. energy: -1.512 local terms energy: -887.924067 where: bonds (distance) C4'-P energy: -181.207 bonds (distance) P-C4' energy: -183.654 flat angles C4'-P-C4' energy: -189.882 flat angles P-C4'-P energy: -119.994 tors. eta vs tors. theta energy: -213.188 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: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2638.318172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.318172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.318172 (E_RNA) where: Base-Base interactions energy: -1749.045 where: short stacking energy: -776.112 Base-Backbone interact. energy: -2.217 local terms energy: -887.056022 where: bonds (distance) C4'-P energy: -166.339 bonds (distance) P-C4' energy: -177.726 flat angles C4'-P-C4' energy: -191.322 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -234.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2429.865921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.865921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.865921 (E_RNA) where: Base-Base interactions energy: -1603.761 where: short stacking energy: -709.460 Base-Backbone interact. energy: -0.734 local terms energy: -825.371317 where: bonds (distance) C4'-P energy: -155.886 bonds (distance) P-C4' energy: -182.789 flat angles C4'-P-C4' energy: -167.629 flat angles P-C4'-P energy: -119.010 tors. eta vs tors. theta energy: -200.058 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: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2327.283465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.283465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.283465 (E_RNA) where: Base-Base interactions energy: -1524.917 where: short stacking energy: -720.725 Base-Backbone interact. energy: -1.552 local terms energy: -800.814225 where: bonds (distance) C4'-P energy: -143.372 bonds (distance) P-C4' energy: -175.958 flat angles C4'-P-C4' energy: -172.256 flat angles P-C4'-P energy: -121.280 tors. eta vs tors. theta energy: -187.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1981.059050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.059050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.059050 (E_RNA) where: Base-Base interactions energy: -1235.786 where: short stacking energy: -588.589 Base-Backbone interact. energy: 5.807 local terms energy: -751.079785 where: bonds (distance) C4'-P energy: -161.195 bonds (distance) P-C4' energy: -159.015 flat angles C4'-P-C4' energy: -184.102 flat angles P-C4'-P energy: -101.700 tors. eta vs tors. theta energy: -145.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1650.697464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.697464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.697464 (E_RNA) where: Base-Base interactions energy: -982.692 where: short stacking energy: -453.537 Base-Backbone interact. energy: -1.072 local terms energy: -666.933518 where: bonds (distance) C4'-P energy: -155.960 bonds (distance) P-C4' energy: -168.489 flat angles C4'-P-C4' energy: -169.350 flat angles P-C4'-P energy: -94.800 tors. eta vs tors. theta energy: -78.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1471.499882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.499882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.499882 (E_RNA) where: Base-Base interactions energy: -888.146 where: short stacking energy: -395.428 Base-Backbone interact. energy: -1.905 local terms energy: -581.448049 where: bonds (distance) C4'-P energy: -155.810 bonds (distance) P-C4' energy: -146.915 flat angles C4'-P-C4' energy: -124.297 flat angles P-C4'-P energy: -100.383 tors. eta vs tors. theta energy: -54.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -958.688276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.688276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.688276 (E_RNA) where: Base-Base interactions energy: -438.524 where: short stacking energy: -278.829 Base-Backbone interact. energy: -0.941 local terms energy: -519.223574 where: bonds (distance) C4'-P energy: -134.278 bonds (distance) P-C4' energy: -156.546 flat angles C4'-P-C4' energy: -142.384 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: -18.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -737.303428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.303428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.303428 (E_RNA) where: Base-Base interactions energy: -327.118 where: short stacking energy: -198.924 Base-Backbone interact. energy: -3.614 local terms energy: -406.571405 where: bonds (distance) C4'-P energy: -126.823 bonds (distance) P-C4' energy: -124.517 flat angles C4'-P-C4' energy: -128.908 flat angles P-C4'-P energy: -71.158 tors. eta vs tors. theta energy: 44.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3038.827686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.827686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.827686 (E_RNA) where: Base-Base interactions energy: -2074.254 where: short stacking energy: -907.123 Base-Backbone interact. energy: -5.666 local terms energy: -958.907077 where: bonds (distance) C4'-P energy: -185.053 bonds (distance) P-C4' energy: -185.343 flat angles C4'-P-C4' energy: -208.077 flat angles P-C4'-P energy: -132.463 tors. eta vs tors. theta energy: -247.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2753.607499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.607499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.607499 (E_RNA) where: Base-Base interactions energy: -1836.257 where: short stacking energy: -811.261 Base-Backbone interact. energy: -1.368 local terms energy: -915.982349 where: bonds (distance) C4'-P energy: -179.446 bonds (distance) P-C4' energy: -178.346 flat angles C4'-P-C4' energy: -188.809 flat angles P-C4'-P energy: -130.658 tors. eta vs tors. theta energy: -238.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2607.172165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.172165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.172165 (E_RNA) where: Base-Base interactions energy: -1706.987 where: short stacking energy: -756.417 Base-Backbone interact. energy: -4.394 local terms energy: -895.790569 where: bonds (distance) C4'-P energy: -176.658 bonds (distance) P-C4' energy: -183.203 flat angles C4'-P-C4' energy: -204.975 flat angles P-C4'-P energy: -114.851 tors. eta vs tors. theta energy: -216.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2376.680901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.680901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.680901 (E_RNA) where: Base-Base interactions energy: -1574.522 where: short stacking energy: -666.210 Base-Backbone interact. energy: 0.057 local terms energy: -802.216173 where: bonds (distance) C4'-P energy: -167.601 bonds (distance) P-C4' energy: -173.369 flat angles C4'-P-C4' energy: -195.028 flat angles P-C4'-P energy: -90.570 tors. eta vs tors. theta energy: -175.647 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: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2306.728263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.728263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.728263 (E_RNA) where: Base-Base interactions energy: -1535.544 where: short stacking energy: -659.550 Base-Backbone interact. energy: -2.079 local terms energy: -769.105817 where: bonds (distance) C4'-P energy: -166.338 bonds (distance) P-C4' energy: -151.314 flat angles C4'-P-C4' energy: -171.668 flat angles P-C4'-P energy: -107.499 tors. eta vs tors. theta energy: -172.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2012.168819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.168819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.168819 (E_RNA) where: Base-Base interactions energy: -1312.227 where: short stacking energy: -621.378 Base-Backbone interact. energy: 9.750 local terms energy: -709.691306 where: bonds (distance) C4'-P energy: -150.189 bonds (distance) P-C4' energy: -163.554 flat angles C4'-P-C4' energy: -163.521 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -138.394 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: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1663.519103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.519103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.519103 (E_RNA) where: Base-Base interactions energy: -1040.047 where: short stacking energy: -439.146 Base-Backbone interact. energy: 4.957 local terms energy: -628.429238 where: bonds (distance) C4'-P energy: -136.367 bonds (distance) P-C4' energy: -161.254 flat angles C4'-P-C4' energy: -137.648 flat angles P-C4'-P energy: -114.186 tors. eta vs tors. theta energy: -78.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1519.872829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.872829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.872829 (E_RNA) where: Base-Base interactions energy: -904.222 where: short stacking energy: -414.051 Base-Backbone interact. energy: 8.911 local terms energy: -624.561482 where: bonds (distance) C4'-P energy: -153.749 bonds (distance) P-C4' energy: -170.662 flat angles C4'-P-C4' energy: -154.823 flat angles P-C4'-P energy: -80.567 tors. eta vs tors. theta energy: -64.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -914.884316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.884316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.884316 (E_RNA) where: Base-Base interactions energy: -423.800 where: short stacking energy: -242.394 Base-Backbone interact. energy: 5.912 local terms energy: -496.995826 where: bonds (distance) C4'-P energy: -138.169 bonds (distance) P-C4' energy: -157.590 flat angles C4'-P-C4' energy: -131.727 flat angles P-C4'-P energy: -80.079 tors. eta vs tors. theta energy: 10.568 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: 135 Temperature: 1.350000 Total energy: -762.944523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.944523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.944523 (E_RNA) where: Base-Base interactions energy: -285.209 where: short stacking energy: -191.383 Base-Backbone interact. energy: 1.745 local terms energy: -479.480469 where: bonds (distance) C4'-P energy: -144.899 bonds (distance) P-C4' energy: -150.737 flat angles C4'-P-C4' energy: -132.398 flat angles P-C4'-P energy: -78.823 tors. eta vs tors. theta energy: 27.376 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: 136 Temperature: 0.900000 Total energy: -3029.867764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.867764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.867764 (E_RNA) where: Base-Base interactions energy: -2066.503 where: short stacking energy: -898.881 Base-Backbone interact. energy: -3.834 local terms energy: -959.530638 where: bonds (distance) C4'-P energy: -167.583 bonds (distance) P-C4' energy: -195.804 flat angles C4'-P-C4' energy: -208.362 flat angles P-C4'-P energy: -139.615 tors. eta vs tors. theta energy: -248.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2764.489273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.489273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.489273 (E_RNA) where: Base-Base interactions energy: -1878.425 where: short stacking energy: -819.040 Base-Backbone interact. energy: 4.004 local terms energy: -890.068783 where: bonds (distance) C4'-P energy: -170.024 bonds (distance) P-C4' energy: -171.622 flat angles C4'-P-C4' energy: -189.261 flat angles P-C4'-P energy: -137.985 tors. eta vs tors. theta energy: -221.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2641.960908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.960908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.960908 (E_RNA) where: Base-Base interactions energy: -1770.090 where: short stacking energy: -748.323 Base-Backbone interact. energy: -1.878 local terms energy: -869.992494 where: bonds (distance) C4'-P energy: -178.401 bonds (distance) P-C4' energy: -167.944 flat angles C4'-P-C4' energy: -190.869 flat angles P-C4'-P energy: -129.122 tors. eta vs tors. theta energy: -203.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2453.995462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.995462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.995462 (E_RNA) where: Base-Base interactions energy: -1604.456 where: short stacking energy: -701.424 Base-Backbone interact. energy: -1.559 local terms energy: -847.980847 where: bonds (distance) C4'-P energy: -167.635 bonds (distance) P-C4' energy: -176.473 flat angles C4'-P-C4' energy: -195.858 flat angles P-C4'-P energy: -119.063 tors. eta vs tors. theta energy: -188.952 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2285.006993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.006993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.006993 (E_RNA) where: Base-Base interactions energy: -1485.660 where: short stacking energy: -632.860 Base-Backbone interact. energy: 1.397 local terms energy: -800.743842 where: bonds (distance) C4'-P energy: -159.406 bonds (distance) P-C4' energy: -166.972 flat angles C4'-P-C4' energy: -169.119 flat angles P-C4'-P energy: -140.628 tors. eta vs tors. theta energy: -164.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2049.601233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.601233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.601233 (E_RNA) where: Base-Base interactions energy: -1328.691 where: short stacking energy: -597.616 Base-Backbone interact. energy: -4.078 local terms energy: -716.832179 where: bonds (distance) C4'-P energy: -153.010 bonds (distance) P-C4' energy: -152.041 flat angles C4'-P-C4' energy: -156.090 flat angles P-C4'-P energy: -113.438 tors. eta vs tors. theta energy: -142.253 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: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1729.762549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.762549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.762549 (E_RNA) where: Base-Base interactions energy: -1072.381 where: short stacking energy: -522.436 Base-Backbone interact. energy: 11.029 local terms energy: -668.411039 where: bonds (distance) C4'-P energy: -164.054 bonds (distance) P-C4' energy: -153.010 flat angles C4'-P-C4' energy: -167.264 flat angles P-C4'-P energy: -79.558 tors. eta vs tors. theta energy: -104.525 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: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1480.788435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.788435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.788435 (E_RNA) where: Base-Base interactions energy: -926.800 where: short stacking energy: -436.635 Base-Backbone interact. energy: -0.492 local terms energy: -553.496658 where: bonds (distance) C4'-P energy: -142.034 bonds (distance) P-C4' energy: -140.307 flat angles C4'-P-C4' energy: -128.199 flat angles P-C4'-P energy: -78.245 tors. eta vs tors. theta energy: -64.711 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: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -891.364172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.364172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.364172 (E_RNA) where: Base-Base interactions energy: -385.611 where: short stacking energy: -227.470 Base-Backbone interact. energy: 4.229 local terms energy: -509.982547 where: bonds (distance) C4'-P energy: -132.560 bonds (distance) P-C4' energy: -157.788 flat angles C4'-P-C4' energy: -149.170 flat angles P-C4'-P energy: -80.357 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: 136 Temperature: 1.350000 Total energy: -798.064606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.064606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.064606 (E_RNA) where: Base-Base interactions energy: -372.711 where: short stacking energy: -243.956 Base-Backbone interact. energy: 0.825 local terms energy: -426.178980 where: bonds (distance) C4'-P energy: -133.408 bonds (distance) P-C4' energy: -137.843 flat angles C4'-P-C4' energy: -132.742 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: 25.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3014.518571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.518571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.518571 (E_RNA) where: Base-Base interactions energy: -2063.899 where: short stacking energy: -889.195 Base-Backbone interact. energy: -3.736 local terms energy: -946.883006 where: bonds (distance) C4'-P energy: -187.683 bonds (distance) P-C4' energy: -168.708 flat angles C4'-P-C4' energy: -219.645 flat angles P-C4'-P energy: -123.739 tors. eta vs tors. theta energy: -247.109 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: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2772.167207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.167207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.167207 (E_RNA) where: Base-Base interactions energy: -1888.784 where: short stacking energy: -820.962 Base-Backbone interact. energy: -3.225 local terms energy: -880.158235 where: bonds (distance) C4'-P energy: -162.799 bonds (distance) P-C4' energy: -181.141 flat angles C4'-P-C4' energy: -195.853 flat angles P-C4'-P energy: -114.458 tors. eta vs tors. theta energy: -225.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2672.546370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.546370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.546370 (E_RNA) where: Base-Base interactions energy: -1791.487 where: short stacking energy: -764.658 Base-Backbone interact. energy: -5.688 local terms energy: -875.371110 where: bonds (distance) C4'-P energy: -168.927 bonds (distance) P-C4' energy: -178.113 flat angles C4'-P-C4' energy: -180.896 flat angles P-C4'-P energy: -131.085 tors. eta vs tors. theta energy: -216.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2429.781203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.781203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.781203 (E_RNA) where: Base-Base interactions energy: -1610.584 where: short stacking energy: -736.724 Base-Backbone interact. energy: 4.467 local terms energy: -823.663985 where: bonds (distance) C4'-P energy: -156.452 bonds (distance) P-C4' energy: -173.293 flat angles C4'-P-C4' energy: -174.841 flat angles P-C4'-P energy: -129.718 tors. eta vs tors. theta energy: -189.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2324.094161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.094161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.094161 (E_RNA) where: Base-Base interactions energy: -1526.290 where: short stacking energy: -668.456 Base-Backbone interact. energy: -4.130 local terms energy: -793.674400 where: bonds (distance) C4'-P energy: -138.253 bonds (distance) P-C4' energy: -189.234 flat angles C4'-P-C4' energy: -175.784 flat angles P-C4'-P energy: -116.173 tors. eta vs tors. theta energy: -174.231 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: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2060.386549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.386549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.386549 (E_RNA) where: Base-Base interactions energy: -1313.623 where: short stacking energy: -587.026 Base-Backbone interact. energy: 1.365 local terms energy: -748.128490 where: bonds (distance) C4'-P energy: -158.259 bonds (distance) P-C4' energy: -158.133 flat angles C4'-P-C4' energy: -176.026 flat angles P-C4'-P energy: -114.321 tors. eta vs tors. theta energy: -141.389 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: 137 Temperature: 1.200000 Total energy: -1807.688761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.688761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.688761 (E_RNA) where: Base-Base interactions energy: -1167.464 where: short stacking energy: -556.539 Base-Backbone interact. energy: -0.170 local terms energy: -640.054699 where: bonds (distance) C4'-P energy: -132.841 bonds (distance) P-C4' energy: -149.435 flat angles C4'-P-C4' energy: -154.517 flat angles P-C4'-P energy: -90.072 tors. eta vs tors. theta energy: -113.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1450.843308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.843308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.843308 (E_RNA) where: Base-Base interactions energy: -838.301 where: short stacking energy: -392.242 Base-Backbone interact. energy: 4.506 local terms energy: -617.048140 where: bonds (distance) C4'-P energy: -145.744 bonds (distance) P-C4' energy: -134.440 flat angles C4'-P-C4' energy: -153.062 flat angles P-C4'-P energy: -97.155 tors. eta vs tors. theta energy: -86.647 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: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -952.495295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.495295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.495295 (E_RNA) where: Base-Base interactions energy: -460.682 where: short stacking energy: -267.124 Base-Backbone interact. energy: 4.304 local terms energy: -496.117896 where: bonds (distance) C4'-P energy: -155.010 bonds (distance) P-C4' energy: -149.662 flat angles C4'-P-C4' energy: -109.367 flat angles P-C4'-P energy: -77.081 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -797.415799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.415799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.415799 (E_RNA) where: Base-Base interactions energy: -353.430 where: short stacking energy: -204.247 Base-Backbone interact. energy: -0.125 local terms energy: -443.860586 where: bonds (distance) C4'-P energy: -126.837 bonds (distance) P-C4' energy: -148.512 flat angles C4'-P-C4' energy: -124.918 flat angles P-C4'-P energy: -61.768 tors. eta vs tors. theta energy: 18.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3032.051431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.051431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.051431 (E_RNA) where: Base-Base interactions energy: -2028.584 where: short stacking energy: -876.471 Base-Backbone interact. energy: -3.643 local terms energy: -999.824282 where: bonds (distance) C4'-P energy: -192.767 bonds (distance) P-C4' energy: -194.634 flat angles C4'-P-C4' energy: -207.068 flat angles P-C4'-P energy: -151.823 tors. eta vs tors. theta energy: -253.532 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: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2763.327609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.327609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.327609 (E_RNA) where: Base-Base interactions energy: -1853.914 where: short stacking energy: -826.121 Base-Backbone interact. energy: -2.793 local terms energy: -906.620785 where: bonds (distance) C4'-P energy: -169.696 bonds (distance) P-C4' energy: -178.431 flat angles C4'-P-C4' energy: -197.745 flat angles P-C4'-P energy: -126.600 tors. eta vs tors. theta energy: -234.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2735.394328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.394328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.394328 (E_RNA) where: Base-Base interactions energy: -1818.596 where: short stacking energy: -826.363 Base-Backbone interact. energy: -2.601 local terms energy: -914.196809 where: bonds (distance) C4'-P energy: -160.015 bonds (distance) P-C4' energy: -169.376 flat angles C4'-P-C4' energy: -208.717 flat angles P-C4'-P energy: -146.720 tors. eta vs tors. theta energy: -229.369 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: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2498.175190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.175190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.175190 (E_RNA) where: Base-Base interactions energy: -1642.417 where: short stacking energy: -723.440 Base-Backbone interact. energy: -0.730 local terms energy: -855.028906 where: bonds (distance) C4'-P energy: -156.637 bonds (distance) P-C4' energy: -174.002 flat angles C4'-P-C4' energy: -189.436 flat angles P-C4'-P energy: -141.147 tors. eta vs tors. theta energy: -193.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2356.717289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.717289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.717289 (E_RNA) where: Base-Base interactions energy: -1561.915 where: short stacking energy: -693.892 Base-Backbone interact. energy: 1.021 local terms energy: -795.823697 where: bonds (distance) C4'-P energy: -152.217 bonds (distance) P-C4' energy: -171.219 flat angles C4'-P-C4' energy: -172.127 flat angles P-C4'-P energy: -106.554 tors. eta vs tors. theta energy: -193.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2158.083603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.083603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.083603 (E_RNA) where: Base-Base interactions energy: -1381.740 where: short stacking energy: -636.650 Base-Backbone interact. energy: -0.669 local terms energy: -775.674411 where: bonds (distance) C4'-P energy: -158.244 bonds (distance) P-C4' energy: -153.995 flat angles C4'-P-C4' energy: -181.477 flat angles P-C4'-P energy: -113.677 tors. eta vs tors. theta energy: -168.281 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: 138 Temperature: 1.200000 Total energy: -1769.908131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.908131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.908131 (E_RNA) where: Base-Base interactions energy: -1091.844 where: short stacking energy: -501.638 Base-Backbone interact. energy: -1.510 local terms energy: -676.554508 where: bonds (distance) C4'-P energy: -152.770 bonds (distance) P-C4' energy: -175.947 flat angles C4'-P-C4' energy: -154.471 flat angles P-C4'-P energy: -84.641 tors. eta vs tors. theta energy: -108.726 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: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1570.304488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.304488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.304488 (E_RNA) where: Base-Base interactions energy: -969.524 where: short stacking energy: -446.153 Base-Backbone interact. energy: 3.008 local terms energy: -603.788428 where: bonds (distance) C4'-P energy: -134.872 bonds (distance) P-C4' energy: -136.787 flat angles C4'-P-C4' energy: -164.527 flat angles P-C4'-P energy: -84.507 tors. eta vs tors. theta energy: -83.095 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: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -858.572214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.572214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.572214 (E_RNA) where: Base-Base interactions energy: -339.750 where: short stacking energy: -240.262 Base-Backbone interact. energy: 0.464 local terms energy: -519.285831 where: bonds (distance) C4'-P energy: -133.977 bonds (distance) P-C4' energy: -168.687 flat angles C4'-P-C4' energy: -118.610 flat angles P-C4'-P energy: -91.345 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -823.266521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.266521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.266521 (E_RNA) where: Base-Base interactions energy: -373.293 where: short stacking energy: -225.027 Base-Backbone interact. energy: 7.734 local terms energy: -457.707413 where: bonds (distance) C4'-P energy: -130.566 bonds (distance) P-C4' energy: -157.250 flat angles C4'-P-C4' energy: -118.419 flat angles P-C4'-P energy: -77.044 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: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3026.449716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.449716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.449716 (E_RNA) where: Base-Base interactions energy: -2050.144 where: short stacking energy: -878.571 Base-Backbone interact. energy: -3.979 local terms energy: -972.327450 where: bonds (distance) C4'-P energy: -174.859 bonds (distance) P-C4' energy: -190.605 flat angles C4'-P-C4' energy: -208.808 flat angles P-C4'-P energy: -147.178 tors. eta vs tors. theta energy: -250.878 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: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2747.142566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.142566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.142566 (E_RNA) where: Base-Base interactions energy: -1824.176 where: short stacking energy: -806.125 Base-Backbone interact. energy: 0.183 local terms energy: -923.149738 where: bonds (distance) C4'-P energy: -183.267 bonds (distance) P-C4' energy: -173.271 flat angles C4'-P-C4' energy: -209.225 flat angles P-C4'-P energy: -131.373 tors. eta vs tors. theta energy: -226.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2726.383091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.383091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.383091 (E_RNA) where: Base-Base interactions energy: -1836.647 where: short stacking energy: -808.507 Base-Backbone interact. energy: -4.343 local terms energy: -885.393037 where: bonds (distance) C4'-P energy: -163.981 bonds (distance) P-C4' energy: -176.096 flat angles C4'-P-C4' energy: -189.793 flat angles P-C4'-P energy: -127.769 tors. eta vs tors. theta energy: -227.754 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: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2421.036892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.036892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.036892 (E_RNA) where: Base-Base interactions energy: -1583.642 where: short stacking energy: -717.295 Base-Backbone interact. energy: -3.358 local terms energy: -834.036475 where: bonds (distance) C4'-P energy: -179.035 bonds (distance) P-C4' energy: -167.162 flat angles C4'-P-C4' energy: -185.996 flat angles P-C4'-P energy: -113.277 tors. eta vs tors. theta energy: -188.567 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: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2325.218699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.218699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.218699 (E_RNA) where: Base-Base interactions energy: -1546.569 where: short stacking energy: -693.287 Base-Backbone interact. energy: 0.432 local terms energy: -779.082161 where: bonds (distance) C4'-P energy: -151.898 bonds (distance) P-C4' energy: -152.310 flat angles C4'-P-C4' energy: -179.701 flat angles P-C4'-P energy: -106.431 tors. eta vs tors. theta energy: -188.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2100.741324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.741324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.741324 (E_RNA) where: Base-Base interactions energy: -1369.805 where: short stacking energy: -613.545 Base-Backbone interact. energy: -3.179 local terms energy: -727.756926 where: bonds (distance) C4'-P energy: -152.479 bonds (distance) P-C4' energy: -164.598 flat angles C4'-P-C4' energy: -158.066 flat angles P-C4'-P energy: -96.304 tors. eta vs tors. theta energy: -156.310 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: 139 Temperature: 1.200000 Total energy: -1730.021680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.021680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.021680 (E_RNA) where: Base-Base interactions energy: -1073.300 where: short stacking energy: -482.615 Base-Backbone interact. energy: -1.773 local terms energy: -654.949019 where: bonds (distance) C4'-P energy: -154.912 bonds (distance) P-C4' energy: -162.869 flat angles C4'-P-C4' energy: -147.612 flat angles P-C4'-P energy: -109.908 tors. eta vs tors. theta energy: -79.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1541.738826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.738826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.738826 (E_RNA) where: Base-Base interactions energy: -944.521 where: short stacking energy: -420.314 Base-Backbone interact. energy: 0.611 local terms energy: -597.828752 where: bonds (distance) C4'-P energy: -140.381 bonds (distance) P-C4' energy: -159.168 flat angles C4'-P-C4' energy: -142.797 flat angles P-C4'-P energy: -86.265 tors. eta vs tors. theta energy: -69.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -825.401391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.401391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.401391 (E_RNA) where: Base-Base interactions energy: -315.377 where: short stacking energy: -209.490 Base-Backbone interact. energy: -4.476 local terms energy: -505.548395 where: bonds (distance) C4'-P energy: -149.736 bonds (distance) P-C4' energy: -172.656 flat angles C4'-P-C4' energy: -122.416 flat angles P-C4'-P energy: -71.501 tors. eta vs tors. theta energy: 10.761 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: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -750.852399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.852399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.852399 (E_RNA) where: Base-Base interactions energy: -305.407 where: short stacking energy: -227.543 Base-Backbone interact. energy: 5.269 local terms energy: -450.715313 where: bonds (distance) C4'-P energy: -133.333 bonds (distance) P-C4' energy: -149.155 flat angles C4'-P-C4' energy: -131.879 flat angles P-C4'-P energy: -75.773 tors. eta vs tors. theta energy: 39.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3020.510194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.510194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.510194 (E_RNA) where: Base-Base interactions energy: -2053.677 where: short stacking energy: -874.454 Base-Backbone interact. energy: -1.549 local terms energy: -965.284136 where: bonds (distance) C4'-P energy: -190.813 bonds (distance) P-C4' energy: -192.373 flat angles C4'-P-C4' energy: -203.799 flat angles P-C4'-P energy: -131.180 tors. eta vs tors. theta energy: -247.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2685.967937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.967937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.967937 (E_RNA) where: Base-Base interactions energy: -1767.803 where: short stacking energy: -796.070 Base-Backbone interact. energy: 0.209 local terms energy: -918.374118 where: bonds (distance) C4'-P energy: -188.423 bonds (distance) P-C4' energy: -178.137 flat angles C4'-P-C4' energy: -193.015 flat angles P-C4'-P energy: -139.273 tors. eta vs tors. theta energy: -219.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2671.728491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.728491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.728491 (E_RNA) where: Base-Base interactions energy: -1789.414 where: short stacking energy: -755.230 Base-Backbone interact. energy: -3.868 local terms energy: -878.446407 where: bonds (distance) C4'-P energy: -163.456 bonds (distance) P-C4' energy: -176.334 flat angles C4'-P-C4' energy: -190.875 flat angles P-C4'-P energy: -127.717 tors. eta vs tors. theta energy: -220.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2502.543908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.543908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.543908 (E_RNA) where: Base-Base interactions energy: -1652.954 where: short stacking energy: -748.447 Base-Backbone interact. energy: -2.759 local terms energy: -846.831448 where: bonds (distance) C4'-P energy: -165.838 bonds (distance) P-C4' energy: -162.769 flat angles C4'-P-C4' energy: -187.242 flat angles P-C4'-P energy: -128.311 tors. eta vs tors. theta energy: -202.672 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: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2290.996723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.996723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.996723 (E_RNA) where: Base-Base interactions energy: -1532.612 where: short stacking energy: -676.813 Base-Backbone interact. energy: 2.258 local terms energy: -760.642616 where: bonds (distance) C4'-P energy: -145.082 bonds (distance) P-C4' energy: -153.227 flat angles C4'-P-C4' energy: -174.302 flat angles P-C4'-P energy: -104.607 tors. eta vs tors. theta energy: -183.425 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: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1987.479923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.479923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.479923 (E_RNA) where: Base-Base interactions energy: -1281.452 where: short stacking energy: -553.740 Base-Backbone interact. energy: 0.357 local terms energy: -706.385039 where: bonds (distance) C4'-P energy: -160.055 bonds (distance) P-C4' energy: -136.876 flat angles C4'-P-C4' energy: -178.895 flat angles P-C4'-P energy: -111.754 tors. eta vs tors. theta energy: -118.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1617.227932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.227932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.227932 (E_RNA) where: Base-Base interactions energy: -944.328 where: short stacking energy: -450.253 Base-Backbone interact. energy: -0.204 local terms energy: -672.695527 where: bonds (distance) C4'-P energy: -166.897 bonds (distance) P-C4' energy: -148.369 flat angles C4'-P-C4' energy: -174.928 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -89.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1576.248394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.248394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.248394 (E_RNA) where: Base-Base interactions energy: -905.700 where: short stacking energy: -431.006 Base-Backbone interact. energy: -3.312 local terms energy: -667.236036 where: bonds (distance) C4'-P energy: -156.690 bonds (distance) P-C4' energy: -164.278 flat angles C4'-P-C4' energy: -174.342 flat angles P-C4'-P energy: -90.815 tors. eta vs tors. theta energy: -81.110 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: 140 Temperature: 1.300000 Total energy: -838.951396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.951396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.951396 (E_RNA) where: Base-Base interactions energy: -346.381 where: short stacking energy: -219.479 Base-Backbone interact. energy: 1.483 local terms energy: -494.053642 where: bonds (distance) C4'-P energy: -164.296 bonds (distance) P-C4' energy: -149.258 flat angles C4'-P-C4' energy: -107.689 flat angles P-C4'-P energy: -83.261 tors. eta vs tors. theta energy: 10.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -721.252460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.252460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.252460 (E_RNA) where: Base-Base interactions energy: -268.711 where: short stacking energy: -191.907 Base-Backbone interact. energy: 1.020 local terms energy: -453.561156 where: bonds (distance) C4'-P energy: -165.797 bonds (distance) P-C4' energy: -151.612 flat angles C4'-P-C4' energy: -96.412 flat angles P-C4'-P energy: -71.993 tors. eta vs tors. theta energy: 32.252 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: 1, replica: 6 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2999.952718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.952718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.952718 (E_RNA) where: Base-Base interactions energy: -2051.565 where: short stacking energy: -908.939 Base-Backbone interact. energy: -3.705 local terms energy: -944.683148 where: bonds (distance) C4'-P energy: -176.168 bonds (distance) P-C4' energy: -166.696 flat angles C4'-P-C4' energy: -228.859 flat angles P-C4'-P energy: -131.305 tors. eta vs tors. theta energy: -241.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2781.704323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.704323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.704323 (E_RNA) where: Base-Base interactions energy: -1871.517 where: short stacking energy: -810.443 Base-Backbone interact. energy: -6.218 local terms energy: -903.969222 where: bonds (distance) C4'-P energy: -190.189 bonds (distance) P-C4' energy: -181.992 flat angles C4'-P-C4' energy: -200.858 flat angles P-C4'-P energy: -122.885 tors. eta vs tors. theta energy: -208.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2655.446988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.446988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.446988 (E_RNA) where: Base-Base interactions energy: -1802.944 where: short stacking energy: -775.550 Base-Backbone interact. energy: -0.163 local terms energy: -852.340211 where: bonds (distance) C4'-P energy: -173.965 bonds (distance) P-C4' energy: -166.740 flat angles C4'-P-C4' energy: -189.496 flat angles P-C4'-P energy: -122.442 tors. eta vs tors. theta energy: -199.697 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: 141 Temperature: 1.050000 Total energy: -2467.396122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.396122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.396122 (E_RNA) where: Base-Base interactions energy: -1637.874 where: short stacking energy: -745.458 Base-Backbone interact. energy: -0.276 local terms energy: -829.245512 where: bonds (distance) C4'-P energy: -151.576 bonds (distance) P-C4' energy: -164.699 flat angles C4'-P-C4' energy: -192.051 flat angles P-C4'-P energy: -109.904 tors. eta vs tors. theta energy: -211.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2310.777371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.777371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.777371 (E_RNA) where: Base-Base interactions energy: -1512.509 where: short stacking energy: -670.235 Base-Backbone interact. energy: -2.123 local terms energy: -796.145664 where: bonds (distance) C4'-P energy: -162.206 bonds (distance) P-C4' energy: -172.578 flat angles C4'-P-C4' energy: -182.123 flat angles P-C4'-P energy: -111.125 tors. eta vs tors. theta energy: -168.114 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: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2021.964756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.964756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.964756 (E_RNA) where: Base-Base interactions energy: -1284.422 where: short stacking energy: -578.919 Base-Backbone interact. energy: 2.115 local terms energy: -739.656890 where: bonds (distance) C4'-P energy: -149.318 bonds (distance) P-C4' energy: -154.933 flat angles C4'-P-C4' energy: -180.170 flat angles P-C4'-P energy: -103.045 tors. eta vs tors. theta energy: -152.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1674.570362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.570362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.570362 (E_RNA) where: Base-Base interactions energy: -1002.664 where: short stacking energy: -459.808 Base-Backbone interact. energy: -4.227 local terms energy: -667.679568 where: bonds (distance) C4'-P energy: -143.546 bonds (distance) P-C4' energy: -174.049 flat angles C4'-P-C4' energy: -158.514 flat angles P-C4'-P energy: -100.696 tors. eta vs tors. theta energy: -90.875 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: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1409.181983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.181983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.181983 (E_RNA) where: Base-Base interactions energy: -823.727 where: short stacking energy: -402.948 Base-Backbone interact. energy: 1.379 local terms energy: -586.834910 where: bonds (distance) C4'-P energy: -149.789 bonds (distance) P-C4' energy: -141.566 flat angles C4'-P-C4' energy: -160.851 flat angles P-C4'-P energy: -79.765 tors. eta vs tors. theta energy: -54.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -739.825306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.825306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.825306 (E_RNA) where: Base-Base interactions energy: -322.098 where: short stacking energy: -233.199 Base-Backbone interact. energy: 1.313 local terms energy: -419.040771 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -160.154 flat angles C4'-P-C4' energy: -117.750 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: 35.660 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: 141 Temperature: 1.350000 Total energy: -756.948096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.948096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.948096 (E_RNA) where: Base-Base interactions energy: -290.366 where: short stacking energy: -191.698 Base-Backbone interact. energy: 17.157 local terms energy: -483.739478 where: bonds (distance) C4'-P energy: -152.813 bonds (distance) P-C4' energy: -170.319 flat angles C4'-P-C4' energy: -133.375 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: 24.126 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: 142 Temperature: 0.900000 Total energy: -3017.377341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.377341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.377341 (E_RNA) where: Base-Base interactions energy: -2052.120 where: short stacking energy: -877.463 Base-Backbone interact. energy: -5.025 local terms energy: -960.232458 where: bonds (distance) C4'-P energy: -179.863 bonds (distance) P-C4' energy: -189.943 flat angles C4'-P-C4' energy: -209.818 flat angles P-C4'-P energy: -143.392 tors. eta vs tors. theta energy: -237.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2805.191491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.191491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.191491 (E_RNA) where: Base-Base interactions energy: -1928.192 where: short stacking energy: -814.735 Base-Backbone interact. energy: -4.056 local terms energy: -872.943803 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -169.663 flat angles C4'-P-C4' energy: -193.823 flat angles P-C4'-P energy: -142.604 tors. eta vs tors. theta energy: -220.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2648.503047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.503047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.503047 (E_RNA) where: Base-Base interactions energy: -1777.911 where: short stacking energy: -761.851 Base-Backbone interact. energy: -1.900 local terms energy: -868.692073 where: bonds (distance) C4'-P energy: -170.482 bonds (distance) P-C4' energy: -169.322 flat angles C4'-P-C4' energy: -191.653 flat angles P-C4'-P energy: -144.285 tors. eta vs tors. theta energy: -192.949 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: 142 Temperature: 1.050000 Total energy: -2512.766762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.766762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.766762 (E_RNA) where: Base-Base interactions energy: -1680.790 where: short stacking energy: -778.861 Base-Backbone interact. energy: 4.823 local terms energy: -836.799393 where: bonds (distance) C4'-P energy: -150.330 bonds (distance) P-C4' energy: -176.676 flat angles C4'-P-C4' energy: -170.768 flat angles P-C4'-P energy: -127.424 tors. eta vs tors. theta energy: -211.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2284.175061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.175061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.175061 (E_RNA) where: Base-Base interactions energy: -1518.107 where: short stacking energy: -686.689 Base-Backbone interact. energy: 3.274 local terms energy: -769.341942 where: bonds (distance) C4'-P energy: -145.871 bonds (distance) P-C4' energy: -150.957 flat angles C4'-P-C4' energy: -177.448 flat angles P-C4'-P energy: -122.204 tors. eta vs tors. theta energy: -172.862 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: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2138.610638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.610638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.610638 (E_RNA) where: Base-Base interactions energy: -1372.669 where: short stacking energy: -620.117 Base-Backbone interact. energy: -4.263 local terms energy: -761.678092 where: bonds (distance) C4'-P energy: -133.825 bonds (distance) P-C4' energy: -161.009 flat angles C4'-P-C4' energy: -192.110 flat angles P-C4'-P energy: -114.996 tors. eta vs tors. theta energy: -159.738 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: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1685.581688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.581688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.581688 (E_RNA) where: Base-Base interactions energy: -1071.271 where: short stacking energy: -513.566 Base-Backbone interact. energy: 1.686 local terms energy: -615.996373 where: bonds (distance) C4'-P energy: -128.806 bonds (distance) P-C4' energy: -148.664 flat angles C4'-P-C4' energy: -154.390 flat angles P-C4'-P energy: -106.117 tors. eta vs tors. theta energy: -78.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1515.687710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.687710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.687710 (E_RNA) where: Base-Base interactions energy: -876.740 where: short stacking energy: -426.570 Base-Backbone interact. energy: 1.480 local terms energy: -640.427441 where: bonds (distance) C4'-P energy: -141.087 bonds (distance) P-C4' energy: -160.040 flat angles C4'-P-C4' energy: -161.034 flat angles P-C4'-P energy: -92.017 tors. eta vs tors. theta energy: -86.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -805.960421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.960421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.960421 (E_RNA) where: Base-Base interactions energy: -336.851 where: short stacking energy: -219.466 Base-Backbone interact. energy: -2.360 local terms energy: -466.749518 where: bonds (distance) C4'-P energy: -144.763 bonds (distance) P-C4' energy: -163.443 flat angles C4'-P-C4' energy: -118.469 flat angles P-C4'-P energy: -63.694 tors. eta vs tors. theta energy: 23.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -770.223914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.223914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.223914 (E_RNA) where: Base-Base interactions energy: -301.269 where: short stacking energy: -213.722 Base-Backbone interact. energy: 6.644 local terms energy: -475.598978 where: bonds (distance) C4'-P energy: -153.225 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -131.936 flat angles P-C4'-P energy: -62.231 tors. eta vs tors. theta energy: 24.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2986.293695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.293695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.293695 (E_RNA) where: Base-Base interactions energy: -2028.188 where: short stacking energy: -867.891 Base-Backbone interact. energy: -3.587 local terms energy: -954.517893 where: bonds (distance) C4'-P energy: -186.782 bonds (distance) P-C4' energy: -188.099 flat angles C4'-P-C4' energy: -201.357 flat angles P-C4'-P energy: -137.155 tors. eta vs tors. theta energy: -241.125 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2842.399335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.399335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.399335 (E_RNA) where: Base-Base interactions energy: -1946.914 where: short stacking energy: -824.172 Base-Backbone interact. energy: -2.562 local terms energy: -892.922612 where: bonds (distance) C4'-P energy: -173.692 bonds (distance) P-C4' energy: -172.186 flat angles C4'-P-C4' energy: -207.539 flat angles P-C4'-P energy: -112.396 tors. eta vs tors. theta energy: -227.110 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: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2599.330801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.330801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.330801 (E_RNA) where: Base-Base interactions energy: -1738.824 where: short stacking energy: -756.105 Base-Backbone interact. energy: -0.294 local terms energy: -860.212848 where: bonds (distance) C4'-P energy: -179.619 bonds (distance) P-C4' energy: -177.989 flat angles C4'-P-C4' energy: -160.713 flat angles P-C4'-P energy: -129.588 tors. eta vs tors. theta energy: -212.303 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: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2481.983856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.983856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.983856 (E_RNA) where: Base-Base interactions energy: -1627.438 where: short stacking energy: -730.873 Base-Backbone interact. energy: -2.116 local terms energy: -852.430168 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -180.471 flat angles C4'-P-C4' energy: -177.841 flat angles P-C4'-P energy: -135.385 tors. eta vs tors. theta energy: -211.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2365.191526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.191526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.191526 (E_RNA) where: Base-Base interactions energy: -1543.976 where: short stacking energy: -675.265 Base-Backbone interact. energy: -1.887 local terms energy: -819.328092 where: bonds (distance) C4'-P energy: -165.144 bonds (distance) P-C4' energy: -160.845 flat angles C4'-P-C4' energy: -177.939 flat angles P-C4'-P energy: -131.747 tors. eta vs tors. theta energy: -183.653 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2000.129423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.129423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.129423 (E_RNA) where: Base-Base interactions energy: -1294.805 where: short stacking energy: -582.992 Base-Backbone interact. energy: -2.470 local terms energy: -702.853791 where: bonds (distance) C4'-P energy: -157.866 bonds (distance) P-C4' energy: -142.976 flat angles C4'-P-C4' energy: -174.659 flat angles P-C4'-P energy: -102.354 tors. eta vs tors. theta energy: -124.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1650.435827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.435827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.435827 (E_RNA) where: Base-Base interactions energy: -1018.113 where: short stacking energy: -495.983 Base-Backbone interact. energy: -1.332 local terms energy: -630.990596 where: bonds (distance) C4'-P energy: -132.838 bonds (distance) P-C4' energy: -149.962 flat angles C4'-P-C4' energy: -143.420 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -118.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1411.257777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.257777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.257777 (E_RNA) where: Base-Base interactions energy: -810.529 where: short stacking energy: -360.606 Base-Backbone interact. energy: -2.449 local terms energy: -598.279837 where: bonds (distance) C4'-P energy: -152.291 bonds (distance) P-C4' energy: -149.117 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -81.573 tors. eta vs tors. theta energy: -55.281 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: 143 Temperature: 1.300000 Total energy: -801.891981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.891981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.891981 (E_RNA) where: Base-Base interactions energy: -312.212 where: short stacking energy: -222.711 Base-Backbone interact. energy: 6.948 local terms energy: -496.628005 where: bonds (distance) C4'-P energy: -133.746 bonds (distance) P-C4' energy: -151.923 flat angles C4'-P-C4' energy: -133.802 flat angles P-C4'-P energy: -84.081 tors. eta vs tors. theta energy: 6.924 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: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -748.776283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.776283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.776283 (E_RNA) where: Base-Base interactions energy: -321.296 where: short stacking energy: -199.878 Base-Backbone interact. energy: -1.225 local terms energy: -426.254954 where: bonds (distance) C4'-P energy: -128.341 bonds (distance) P-C4' energy: -147.513 flat angles C4'-P-C4' energy: -116.906 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: 37.941 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: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3001.602015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.602015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.602015 (E_RNA) where: Base-Base interactions energy: -2049.651 where: short stacking energy: -872.735 Base-Backbone interact. energy: 3.068 local terms energy: -955.018549 where: bonds (distance) C4'-P energy: -187.278 bonds (distance) P-C4' energy: -177.838 flat angles C4'-P-C4' energy: -203.493 flat angles P-C4'-P energy: -141.302 tors. eta vs tors. theta energy: -245.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2827.357927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.357927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.357927 (E_RNA) where: Base-Base interactions energy: -1898.470 where: short stacking energy: -815.128 Base-Backbone interact. energy: 1.296 local terms energy: -930.183665 where: bonds (distance) C4'-P energy: -182.630 bonds (distance) P-C4' energy: -178.871 flat angles C4'-P-C4' energy: -201.163 flat angles P-C4'-P energy: -134.282 tors. eta vs tors. theta energy: -233.237 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2625.823628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.823628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.823628 (E_RNA) where: Base-Base interactions energy: -1749.077 where: short stacking energy: -774.691 Base-Backbone interact. energy: 0.799 local terms energy: -877.545495 where: bonds (distance) C4'-P energy: -175.790 bonds (distance) P-C4' energy: -180.771 flat angles C4'-P-C4' energy: -194.001 flat angles P-C4'-P energy: -111.724 tors. eta vs tors. theta energy: -215.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2445.340888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.340888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.340888 (E_RNA) where: Base-Base interactions energy: -1628.524 where: short stacking energy: -723.849 Base-Backbone interact. energy: -1.153 local terms energy: -815.664188 where: bonds (distance) C4'-P energy: -163.441 bonds (distance) P-C4' energy: -158.226 flat angles C4'-P-C4' energy: -177.992 flat angles P-C4'-P energy: -113.142 tors. eta vs tors. theta energy: -202.864 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: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2320.009837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.009837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.009837 (E_RNA) where: Base-Base interactions energy: -1555.429 where: short stacking energy: -667.073 Base-Backbone interact. energy: -3.464 local terms energy: -761.116244 where: bonds (distance) C4'-P energy: -145.928 bonds (distance) P-C4' energy: -173.502 flat angles C4'-P-C4' energy: -182.447 flat angles P-C4'-P energy: -95.800 tors. eta vs tors. theta energy: -163.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2057.038881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.038881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.038881 (E_RNA) where: Base-Base interactions energy: -1335.612 where: short stacking energy: -625.987 Base-Backbone interact. energy: 1.412 local terms energy: -722.839139 where: bonds (distance) C4'-P energy: -173.760 bonds (distance) P-C4' energy: -159.568 flat angles C4'-P-C4' energy: -148.538 flat angles P-C4'-P energy: -76.251 tors. eta vs tors. theta energy: -164.722 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: 144 Temperature: 1.200000 Total energy: -1615.447789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.447789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.447789 (E_RNA) where: Base-Base interactions energy: -991.783 where: short stacking energy: -482.440 Base-Backbone interact. energy: 3.231 local terms energy: -626.895041 where: bonds (distance) C4'-P energy: -127.930 bonds (distance) P-C4' energy: -153.843 flat angles C4'-P-C4' energy: -159.017 flat angles P-C4'-P energy: -111.809 tors. eta vs tors. theta energy: -74.296 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: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1417.680987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.680987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.680987 (E_RNA) where: Base-Base interactions energy: -876.038 where: short stacking energy: -386.731 Base-Backbone interact. energy: -0.055 local terms energy: -541.588005 where: bonds (distance) C4'-P energy: -144.662 bonds (distance) P-C4' energy: -139.655 flat angles C4'-P-C4' energy: -142.657 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -39.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -784.716884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.716884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.716884 (E_RNA) where: Base-Base interactions energy: -298.759 where: short stacking energy: -206.683 Base-Backbone interact. energy: 6.545 local terms energy: -492.502922 where: bonds (distance) C4'-P energy: -141.222 bonds (distance) P-C4' energy: -162.014 flat angles C4'-P-C4' energy: -158.167 flat angles P-C4'-P energy: -69.186 tors. eta vs tors. theta energy: 38.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -710.466446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.466446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.466446 (E_RNA) where: Base-Base interactions energy: -283.595 where: short stacking energy: -212.747 Base-Backbone interact. energy: 3.181 local terms energy: -430.052696 where: bonds (distance) C4'-P energy: -148.376 bonds (distance) P-C4' energy: -136.914 flat angles C4'-P-C4' energy: -102.735 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: 27.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3013.768152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.768152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.768152 (E_RNA) where: Base-Base interactions energy: -2070.401 where: short stacking energy: -905.299 Base-Backbone interact. energy: -6.253 local terms energy: -937.113960 where: bonds (distance) C4'-P energy: -171.009 bonds (distance) P-C4' energy: -184.357 flat angles C4'-P-C4' energy: -207.554 flat angles P-C4'-P energy: -130.244 tors. eta vs tors. theta energy: -243.950 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2829.148428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.148428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.148428 (E_RNA) where: Base-Base interactions energy: -1901.023 where: short stacking energy: -829.329 Base-Backbone interact. energy: -4.776 local terms energy: -923.348952 where: bonds (distance) C4'-P energy: -179.017 bonds (distance) P-C4' energy: -173.368 flat angles C4'-P-C4' energy: -197.282 flat angles P-C4'-P energy: -136.349 tors. eta vs tors. theta energy: -237.332 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: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2671.516281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.516281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.516281 (E_RNA) where: Base-Base interactions energy: -1809.163 where: short stacking energy: -772.157 Base-Backbone interact. energy: -2.627 local terms energy: -859.726776 where: bonds (distance) C4'-P energy: -173.935 bonds (distance) P-C4' energy: -156.790 flat angles C4'-P-C4' energy: -202.038 flat angles P-C4'-P energy: -116.027 tors. eta vs tors. theta energy: -210.937 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: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2429.182552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.182552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.182552 (E_RNA) where: Base-Base interactions energy: -1614.980 where: short stacking energy: -689.812 Base-Backbone interact. energy: -2.509 local terms energy: -811.693243 where: bonds (distance) C4'-P energy: -158.236 bonds (distance) P-C4' energy: -182.898 flat angles C4'-P-C4' energy: -166.411 flat angles P-C4'-P energy: -113.286 tors. eta vs tors. theta energy: -190.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2337.457131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.457131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.457131 (E_RNA) where: Base-Base interactions energy: -1545.474 where: short stacking energy: -665.092 Base-Backbone interact. energy: -2.300 local terms energy: -789.683559 where: bonds (distance) C4'-P energy: -169.358 bonds (distance) P-C4' energy: -164.706 flat angles C4'-P-C4' energy: -169.171 flat angles P-C4'-P energy: -113.368 tors. eta vs tors. theta energy: -173.080 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: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2079.787548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.787548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.787548 (E_RNA) where: Base-Base interactions energy: -1350.340 where: short stacking energy: -616.880 Base-Backbone interact. energy: -2.989 local terms energy: -726.457946 where: bonds (distance) C4'-P energy: -145.895 bonds (distance) P-C4' energy: -145.677 flat angles C4'-P-C4' energy: -176.528 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -151.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1693.578051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.578051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.578051 (E_RNA) where: Base-Base interactions energy: -1049.247 where: short stacking energy: -498.358 Base-Backbone interact. energy: 3.980 local terms energy: -648.311180 where: bonds (distance) C4'-P energy: -153.945 bonds (distance) P-C4' energy: -153.685 flat angles C4'-P-C4' energy: -154.133 flat angles P-C4'-P energy: -91.111 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: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1367.795617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.795617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.795617 (E_RNA) where: Base-Base interactions energy: -785.374 where: short stacking energy: -369.797 Base-Backbone interact. energy: -4.763 local terms energy: -577.658055 where: bonds (distance) C4'-P energy: -149.364 bonds (distance) P-C4' energy: -147.589 flat angles C4'-P-C4' energy: -164.864 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -21.462 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: 145 Temperature: 1.300000 Total energy: -829.781659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.781659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.781659 (E_RNA) where: Base-Base interactions energy: -360.810 where: short stacking energy: -231.178 Base-Backbone interact. energy: 0.048 local terms energy: -469.019935 where: bonds (distance) C4'-P energy: -142.321 bonds (distance) P-C4' energy: -157.352 flat angles C4'-P-C4' energy: -123.135 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: 19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -759.115723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.115723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.115723 (E_RNA) where: Base-Base interactions energy: -333.421 where: short stacking energy: -208.832 Base-Backbone interact. energy: -0.372 local terms energy: -425.323225 where: bonds (distance) C4'-P energy: -109.026 bonds (distance) P-C4' energy: -145.693 flat angles C4'-P-C4' energy: -122.939 flat angles P-C4'-P energy: -59.963 tors. eta vs tors. theta energy: 12.298 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: 146 Temperature: 0.900000 Total energy: -3047.479762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.479762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.479762 (E_RNA) where: Base-Base interactions energy: -2098.774 where: short stacking energy: -885.909 Base-Backbone interact. energy: -5.571 local terms energy: -943.135037 where: bonds (distance) C4'-P energy: -174.341 bonds (distance) P-C4' energy: -186.340 flat angles C4'-P-C4' energy: -197.088 flat angles P-C4'-P energy: -135.582 tors. eta vs tors. theta energy: -249.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2810.857924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.857924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.857924 (E_RNA) where: Base-Base interactions energy: -1909.150 where: short stacking energy: -851.888 Base-Backbone interact. energy: -4.367 local terms energy: -897.340776 where: bonds (distance) C4'-P energy: -165.436 bonds (distance) P-C4' energy: -175.289 flat angles C4'-P-C4' energy: -197.820 flat angles P-C4'-P energy: -130.738 tors. eta vs tors. theta energy: -228.059 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: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2662.682338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.682338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.682338 (E_RNA) where: Base-Base interactions energy: -1782.815 where: short stacking energy: -753.308 Base-Backbone interact. energy: -1.356 local terms energy: -878.511252 where: bonds (distance) C4'-P energy: -170.489 bonds (distance) P-C4' energy: -195.862 flat angles C4'-P-C4' energy: -186.499 flat angles P-C4'-P energy: -130.209 tors. eta vs tors. theta energy: -195.452 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: 146 Temperature: 1.050000 Total energy: -2442.432087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.432087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.432087 (E_RNA) where: Base-Base interactions energy: -1639.276 where: short stacking energy: -719.827 Base-Backbone interact. energy: 4.004 local terms energy: -807.159210 where: bonds (distance) C4'-P energy: -173.625 bonds (distance) P-C4' energy: -172.174 flat angles C4'-P-C4' energy: -185.671 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -178.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2413.627775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.627775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.627775 (E_RNA) where: Base-Base interactions energy: -1599.075 where: short stacking energy: -694.343 Base-Backbone interact. energy: -2.464 local terms energy: -812.088371 where: bonds (distance) C4'-P energy: -177.525 bonds (distance) P-C4' energy: -154.016 flat angles C4'-P-C4' energy: -169.070 flat angles P-C4'-P energy: -121.659 tors. eta vs tors. theta energy: -189.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2059.054070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.054070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.054070 (E_RNA) where: Base-Base interactions energy: -1334.583 where: short stacking energy: -582.914 Base-Backbone interact. energy: 1.855 local terms energy: -726.326689 where: bonds (distance) C4'-P energy: -170.033 bonds (distance) P-C4' energy: -140.858 flat angles C4'-P-C4' energy: -167.501 flat angles P-C4'-P energy: -106.996 tors. eta vs tors. theta energy: -140.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1646.542092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.542092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.542092 (E_RNA) where: Base-Base interactions energy: -1055.437 where: short stacking energy: -470.445 Base-Backbone interact. energy: -0.123 local terms energy: -590.981922 where: bonds (distance) C4'-P energy: -143.462 bonds (distance) P-C4' energy: -154.925 flat angles C4'-P-C4' energy: -134.212 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: -81.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1323.124345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.124345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.124345 (E_RNA) where: Base-Base interactions energy: -737.212 where: short stacking energy: -390.861 Base-Backbone interact. energy: -0.745 local terms energy: -585.167524 where: bonds (distance) C4'-P energy: -172.633 bonds (distance) P-C4' energy: -148.058 flat angles C4'-P-C4' energy: -139.197 flat angles P-C4'-P energy: -64.523 tors. eta vs tors. theta energy: -60.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -893.484375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.484375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.484375 (E_RNA) where: Base-Base interactions energy: -367.766 where: short stacking energy: -248.127 Base-Backbone interact. energy: 0.378 local terms energy: -526.096260 where: bonds (distance) C4'-P energy: -156.253 bonds (distance) P-C4' energy: -165.737 flat angles C4'-P-C4' energy: -134.209 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: 6.369 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: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -755.274072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.274072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.274072 (E_RNA) where: Base-Base interactions energy: -306.512 where: short stacking energy: -202.766 Base-Backbone interact. energy: 1.487 local terms energy: -450.249455 where: bonds (distance) C4'-P energy: -144.436 bonds (distance) P-C4' energy: -142.922 flat angles C4'-P-C4' energy: -112.451 flat angles P-C4'-P energy: -74.237 tors. eta vs tors. theta energy: 23.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3030.851933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.851933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.851933 (E_RNA) where: Base-Base interactions energy: -2069.326 where: short stacking energy: -868.318 Base-Backbone interact. energy: -7.090 local terms energy: -954.435290 where: bonds (distance) C4'-P energy: -181.702 bonds (distance) P-C4' energy: -183.879 flat angles C4'-P-C4' energy: -203.582 flat angles P-C4'-P energy: -143.105 tors. eta vs tors. theta energy: -242.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2755.138731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.138731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.138731 (E_RNA) where: Base-Base interactions energy: -1903.909 where: short stacking energy: -815.644 Base-Backbone interact. energy: -0.171 local terms energy: -851.058253 where: bonds (distance) C4'-P energy: -169.194 bonds (distance) P-C4' energy: -153.288 flat angles C4'-P-C4' energy: -185.353 flat angles P-C4'-P energy: -129.949 tors. eta vs tors. theta energy: -213.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2669.962265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.962265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.962265 (E_RNA) where: Base-Base interactions energy: -1786.335 where: short stacking energy: -732.040 Base-Backbone interact. energy: -3.580 local terms energy: -880.046975 where: bonds (distance) C4'-P energy: -153.961 bonds (distance) P-C4' energy: -189.543 flat angles C4'-P-C4' energy: -193.803 flat angles P-C4'-P energy: -126.335 tors. eta vs tors. theta energy: -216.405 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: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2461.410592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.410592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.410592 (E_RNA) where: Base-Base interactions energy: -1653.167 where: short stacking energy: -723.420 Base-Backbone interact. energy: 0.753 local terms energy: -808.997150 where: bonds (distance) C4'-P energy: -150.522 bonds (distance) P-C4' energy: -167.339 flat angles C4'-P-C4' energy: -190.549 flat angles P-C4'-P energy: -113.985 tors. eta vs tors. theta energy: -186.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2332.742328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.742328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.742328 (E_RNA) where: Base-Base interactions energy: -1550.635 where: short stacking energy: -677.741 Base-Backbone interact. energy: -1.468 local terms energy: -780.639503 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -144.250 flat angles C4'-P-C4' energy: -180.748 flat angles P-C4'-P energy: -124.851 tors. eta vs tors. theta energy: -174.884 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: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2038.305540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.305540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.305540 (E_RNA) where: Base-Base interactions energy: -1312.908 where: short stacking energy: -592.136 Base-Backbone interact. energy: 1.196 local terms energy: -726.593073 where: bonds (distance) C4'-P energy: -160.942 bonds (distance) P-C4' energy: -159.806 flat angles C4'-P-C4' energy: -149.137 flat angles P-C4'-P energy: -121.373 tors. eta vs tors. theta energy: -135.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1581.120574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.120574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.120574 (E_RNA) where: Base-Base interactions energy: -964.938 where: short stacking energy: -437.361 Base-Backbone interact. energy: -2.524 local terms energy: -613.658109 where: bonds (distance) C4'-P energy: -160.678 bonds (distance) P-C4' energy: -156.887 flat angles C4'-P-C4' energy: -157.392 flat angles P-C4'-P energy: -74.551 tors. eta vs tors. theta energy: -64.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1376.765477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.765477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.765477 (E_RNA) where: Base-Base interactions energy: -769.659 where: short stacking energy: -399.966 Base-Backbone interact. energy: 1.813 local terms energy: -608.919515 where: bonds (distance) C4'-P energy: -163.280 bonds (distance) P-C4' energy: -145.800 flat angles C4'-P-C4' energy: -140.509 flat angles P-C4'-P energy: -88.431 tors. eta vs tors. theta energy: -70.899 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: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -847.611967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.611967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.611967 (E_RNA) where: Base-Base interactions energy: -392.863 where: short stacking energy: -273.295 Base-Backbone interact. energy: 8.554 local terms energy: -463.303060 where: bonds (distance) C4'-P energy: -156.738 bonds (distance) P-C4' energy: -136.509 flat angles C4'-P-C4' energy: -121.164 flat angles P-C4'-P energy: -60.359 tors. eta vs tors. theta energy: 11.467 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: 147 Temperature: 1.350000 Total energy: -770.779363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.779363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.779363 (E_RNA) where: Base-Base interactions energy: -327.764 where: short stacking energy: -214.503 Base-Backbone interact. energy: 0.384 local terms energy: -443.399494 where: bonds (distance) C4'-P energy: -145.097 bonds (distance) P-C4' energy: -128.582 flat angles C4'-P-C4' energy: -129.326 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: 14.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3034.450373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.450373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.450373 (E_RNA) where: Base-Base interactions energy: -2082.807 where: short stacking energy: -887.666 Base-Backbone interact. energy: -6.137 local terms energy: -945.506610 where: bonds (distance) C4'-P energy: -176.614 bonds (distance) P-C4' energy: -179.517 flat angles C4'-P-C4' energy: -213.083 flat angles P-C4'-P energy: -132.226 tors. eta vs tors. theta energy: -244.067 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: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2774.009088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.009088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.009088 (E_RNA) where: Base-Base interactions energy: -1868.791 where: short stacking energy: -805.550 Base-Backbone interact. energy: -1.316 local terms energy: -903.902017 where: bonds (distance) C4'-P energy: -175.482 bonds (distance) P-C4' energy: -176.407 flat angles C4'-P-C4' energy: -204.191 flat angles P-C4'-P energy: -129.221 tors. eta vs tors. theta energy: -218.602 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: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2616.654000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.654000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.654000 (E_RNA) where: Base-Base interactions energy: -1796.344 where: short stacking energy: -753.740 Base-Backbone interact. energy: 1.641 local terms energy: -821.950923 where: bonds (distance) C4'-P energy: -172.041 bonds (distance) P-C4' energy: -172.217 flat angles C4'-P-C4' energy: -174.953 flat angles P-C4'-P energy: -104.114 tors. eta vs tors. theta energy: -198.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2464.870632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.870632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.870632 (E_RNA) where: Base-Base interactions energy: -1634.079 where: short stacking energy: -734.184 Base-Backbone interact. energy: 0.229 local terms energy: -831.020435 where: bonds (distance) C4'-P energy: -163.108 bonds (distance) P-C4' energy: -180.902 flat angles C4'-P-C4' energy: -183.721 flat angles P-C4'-P energy: -106.551 tors. eta vs tors. theta energy: -196.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2309.333972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.333972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.333972 (E_RNA) where: Base-Base interactions energy: -1517.495 where: short stacking energy: -658.164 Base-Backbone interact. energy: -2.868 local terms energy: -788.970842 where: bonds (distance) C4'-P energy: -159.595 bonds (distance) P-C4' energy: -153.284 flat angles C4'-P-C4' energy: -175.689 flat angles P-C4'-P energy: -118.649 tors. eta vs tors. theta energy: -181.755 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: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2030.430804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.430804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.430804 (E_RNA) where: Base-Base interactions energy: -1289.418 where: short stacking energy: -579.174 Base-Backbone interact. energy: 1.553 local terms energy: -742.566176 where: bonds (distance) C4'-P energy: -161.926 bonds (distance) P-C4' energy: -163.148 flat angles C4'-P-C4' energy: -168.793 flat angles P-C4'-P energy: -100.777 tors. eta vs tors. theta energy: -147.922 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: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1677.644952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.644952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.644952 (E_RNA) where: Base-Base interactions energy: -1020.953 where: short stacking energy: -483.516 Base-Backbone interact. energy: -0.197 local terms energy: -656.494770 where: bonds (distance) C4'-P energy: -159.130 bonds (distance) P-C4' energy: -163.569 flat angles C4'-P-C4' energy: -159.135 flat angles P-C4'-P energy: -88.028 tors. eta vs tors. theta energy: -86.632 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: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1309.475835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.475835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.475835 (E_RNA) where: Base-Base interactions energy: -735.179 where: short stacking energy: -384.398 Base-Backbone interact. energy: -0.384 local terms energy: -573.912462 where: bonds (distance) C4'-P energy: -154.948 bonds (distance) P-C4' energy: -147.678 flat angles C4'-P-C4' energy: -144.829 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -47.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -800.098660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.098660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.098660 (E_RNA) where: Base-Base interactions energy: -329.649 where: short stacking energy: -229.230 Base-Backbone interact. energy: -0.364 local terms energy: -470.085414 where: bonds (distance) C4'-P energy: -129.231 bonds (distance) P-C4' energy: -173.966 flat angles C4'-P-C4' energy: -131.429 flat angles P-C4'-P energy: -63.555 tors. eta vs tors. theta energy: 28.097 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -813.985233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.985233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.985233 (E_RNA) where: Base-Base interactions energy: -355.280 where: short stacking energy: -213.409 Base-Backbone interact. energy: 4.842 local terms energy: -463.547570 where: bonds (distance) C4'-P energy: -145.721 bonds (distance) P-C4' energy: -132.680 flat angles C4'-P-C4' energy: -113.047 flat angles P-C4'-P energy: -82.433 tors. eta vs tors. theta energy: 10.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2999.723945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.723945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.723945 (E_RNA) where: Base-Base interactions energy: -2059.423 where: short stacking energy: -887.317 Base-Backbone interact. energy: -1.801 local terms energy: -938.499382 where: bonds (distance) C4'-P energy: -172.029 bonds (distance) P-C4' energy: -186.394 flat angles C4'-P-C4' energy: -192.012 flat angles P-C4'-P energy: -145.977 tors. eta vs tors. theta energy: -242.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2806.950960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.950960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.950960 (E_RNA) where: Base-Base interactions energy: -1949.284 where: short stacking energy: -824.216 Base-Backbone interact. energy: 1.313 local terms energy: -858.979963 where: bonds (distance) C4'-P energy: -154.576 bonds (distance) P-C4' energy: -179.924 flat angles C4'-P-C4' energy: -193.036 flat angles P-C4'-P energy: -114.218 tors. eta vs tors. theta energy: -217.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2702.337719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.337719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.337719 (E_RNA) where: Base-Base interactions energy: -1824.417 where: short stacking energy: -795.424 Base-Backbone interact. energy: -3.347 local terms energy: -874.573915 where: bonds (distance) C4'-P energy: -164.604 bonds (distance) P-C4' energy: -183.014 flat angles C4'-P-C4' energy: -195.570 flat angles P-C4'-P energy: -126.174 tors. eta vs tors. theta energy: -205.212 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: 149 Temperature: 1.050000 Total energy: -2451.021465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.021465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.021465 (E_RNA) where: Base-Base interactions energy: -1668.013 where: short stacking energy: -748.666 Base-Backbone interact. energy: -2.916 local terms energy: -780.092304 where: bonds (distance) C4'-P energy: -148.001 bonds (distance) P-C4' energy: -160.277 flat angles C4'-P-C4' energy: -188.338 flat angles P-C4'-P energy: -90.284 tors. eta vs tors. theta energy: -193.193 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: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2317.849667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.849667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.849667 (E_RNA) where: Base-Base interactions energy: -1524.840 where: short stacking energy: -675.594 Base-Backbone interact. energy: 2.147 local terms energy: -795.156101 where: bonds (distance) C4'-P energy: -155.603 bonds (distance) P-C4' energy: -163.733 flat angles C4'-P-C4' energy: -176.122 flat angles P-C4'-P energy: -128.590 tors. eta vs tors. theta energy: -171.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2031.947123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.947123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.947123 (E_RNA) where: Base-Base interactions energy: -1341.659 where: short stacking energy: -583.141 Base-Backbone interact. energy: -4.357 local terms energy: -685.931412 where: bonds (distance) C4'-P energy: -131.814 bonds (distance) P-C4' energy: -158.905 flat angles C4'-P-C4' energy: -172.348 flat angles P-C4'-P energy: -93.588 tors. eta vs tors. theta energy: -129.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1659.603828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.603828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.603828 (E_RNA) where: Base-Base interactions energy: -1015.690 where: short stacking energy: -468.045 Base-Backbone interact. energy: -2.693 local terms energy: -641.221159 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -189.727 flat angles C4'-P-C4' energy: -138.018 flat angles P-C4'-P energy: -99.321 tors. eta vs tors. theta energy: -78.802 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: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1323.052488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.052488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.052488 (E_RNA) where: Base-Base interactions energy: -752.395 where: short stacking energy: -344.760 Base-Backbone interact. energy: 1.565 local terms energy: -572.222508 where: bonds (distance) C4'-P energy: -129.719 bonds (distance) P-C4' energy: -162.443 flat angles C4'-P-C4' energy: -149.564 flat angles P-C4'-P energy: -91.568 tors. eta vs tors. theta energy: -38.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -780.876672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.876672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.876672 (E_RNA) where: Base-Base interactions energy: -321.230 where: short stacking energy: -225.702 Base-Backbone interact. energy: 0.694 local terms energy: -460.339893 where: bonds (distance) C4'-P energy: -127.785 bonds (distance) P-C4' energy: -147.127 flat angles C4'-P-C4' energy: -121.425 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: 32.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -838.304775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.304775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.304775 (E_RNA) where: Base-Base interactions energy: -354.434 where: short stacking energy: -238.419 Base-Backbone interact. energy: 12.013 local terms energy: -495.883817 where: bonds (distance) C4'-P energy: -145.754 bonds (distance) P-C4' energy: -143.576 flat angles C4'-P-C4' energy: -141.240 flat angles P-C4'-P energy: -79.282 tors. eta vs tors. theta energy: 13.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2998.329636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.329636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.329636 (E_RNA) where: Base-Base interactions energy: -2050.231 where: short stacking energy: -846.807 Base-Backbone interact. energy: -6.122 local terms energy: -941.977062 where: bonds (distance) C4'-P energy: -180.354 bonds (distance) P-C4' energy: -189.346 flat angles C4'-P-C4' energy: -211.947 flat angles P-C4'-P energy: -131.623 tors. eta vs tors. theta energy: -228.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2836.882253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.882253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.882253 (E_RNA) where: Base-Base interactions energy: -1953.135 where: short stacking energy: -852.650 Base-Backbone interact. energy: -1.706 local terms energy: -882.041318 where: bonds (distance) C4'-P energy: -151.276 bonds (distance) P-C4' energy: -160.572 flat angles C4'-P-C4' energy: -204.204 flat angles P-C4'-P energy: -146.172 tors. eta vs tors. theta energy: -219.818 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: 3, replica: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2688.515119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.515119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.515119 (E_RNA) where: Base-Base interactions energy: -1814.132 where: short stacking energy: -755.350 Base-Backbone interact. energy: -4.805 local terms energy: -869.577921 where: bonds (distance) C4'-P energy: -162.682 bonds (distance) P-C4' energy: -181.219 flat angles C4'-P-C4' energy: -185.465 flat angles P-C4'-P energy: -111.848 tors. eta vs tors. theta energy: -228.364 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: 150 Temperature: 1.050000 Total energy: -2500.133452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.133452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.133452 (E_RNA) where: Base-Base interactions energy: -1633.244 where: short stacking energy: -741.139 Base-Backbone interact. energy: 2.615 local terms energy: -869.504295 where: bonds (distance) C4'-P energy: -175.807 bonds (distance) P-C4' energy: -165.578 flat angles C4'-P-C4' energy: -191.565 flat angles P-C4'-P energy: -128.906 tors. eta vs tors. theta energy: -207.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2275.858785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.858785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.858785 (E_RNA) where: Base-Base interactions energy: -1454.276 where: short stacking energy: -671.386 Base-Backbone interact. energy: -1.385 local terms energy: -820.197305 where: bonds (distance) C4'-P energy: -177.999 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -191.972 flat angles P-C4'-P energy: -105.572 tors. eta vs tors. theta energy: -185.346 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: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2057.754594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.754594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.754594 (E_RNA) where: Base-Base interactions energy: -1326.751 where: short stacking energy: -599.154 Base-Backbone interact. energy: -4.191 local terms energy: -726.812514 where: bonds (distance) C4'-P energy: -155.858 bonds (distance) P-C4' energy: -154.331 flat angles C4'-P-C4' energy: -161.080 flat angles P-C4'-P energy: -108.717 tors. eta vs tors. theta energy: -146.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1678.389150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.389150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.389150 (E_RNA) where: Base-Base interactions energy: -1026.161 where: short stacking energy: -470.009 Base-Backbone interact. energy: 13.322 local terms energy: -665.550291 where: bonds (distance) C4'-P energy: -175.698 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -167.073 flat angles P-C4'-P energy: -108.164 tors. eta vs tors. theta energy: -74.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1305.667134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.667134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.667134 (E_RNA) where: Base-Base interactions energy: -760.823 where: short stacking energy: -378.267 Base-Backbone interact. energy: -3.651 local terms energy: -541.193739 where: bonds (distance) C4'-P energy: -147.036 bonds (distance) P-C4' energy: -150.606 flat angles C4'-P-C4' energy: -145.378 flat angles P-C4'-P energy: -73.996 tors. eta vs tors. theta energy: -24.178 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: 150 Temperature: 1.300000 Total energy: -884.337706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.337706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.337706 (E_RNA) where: Base-Base interactions energy: -395.893 where: short stacking energy: -239.341 Base-Backbone interact. energy: 5.820 local terms energy: -494.264322 where: bonds (distance) C4'-P energy: -154.518 bonds (distance) P-C4' energy: -144.886 flat angles C4'-P-C4' energy: -146.814 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -754.262633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.262633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.262633 (E_RNA) where: Base-Base interactions energy: -306.326 where: short stacking energy: -191.044 Base-Backbone interact. energy: -0.091 local terms energy: -447.845475 where: bonds (distance) C4'-P energy: -131.877 bonds (distance) P-C4' energy: -159.755 flat angles C4'-P-C4' energy: -115.547 flat angles P-C4'-P energy: -67.080 tors. eta vs tors. theta energy: 26.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3017.309059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.309059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.309059 (E_RNA) where: Base-Base interactions energy: -2054.559 where: short stacking energy: -868.665 Base-Backbone interact. energy: -7.924 local terms energy: -954.825562 where: bonds (distance) C4'-P energy: -179.105 bonds (distance) P-C4' energy: -179.485 flat angles C4'-P-C4' energy: -212.184 flat angles P-C4'-P energy: -140.939 tors. eta vs tors. theta energy: -243.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2832.427868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.427868 (E_RNA) where: Base-Base interactions energy: -1908.328 where: short stacking energy: -828.369 Base-Backbone interact. energy: -0.483 local terms energy: -923.617002 where: bonds (distance) C4'-P energy: -186.889 bonds (distance) P-C4' energy: -190.164 flat angles C4'-P-C4' energy: -207.006 flat angles P-C4'-P energy: -119.294 tors. eta vs tors. theta energy: -220.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2682.056176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.056176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.056176 (E_RNA) where: Base-Base interactions energy: -1803.812 where: short stacking energy: -776.270 Base-Backbone interact. energy: -3.725 local terms energy: -874.519632 where: bonds (distance) C4'-P energy: -166.844 bonds (distance) P-C4' energy: -176.562 flat angles C4'-P-C4' energy: -198.051 flat angles P-C4'-P energy: -118.218 tors. eta vs tors. theta energy: -214.845 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: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2471.388477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.388477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.388477 (E_RNA) where: Base-Base interactions energy: -1658.557 where: short stacking energy: -732.860 Base-Backbone interact. energy: 3.734 local terms energy: -816.565505 where: bonds (distance) C4'-P energy: -160.643 bonds (distance) P-C4' energy: -160.983 flat angles C4'-P-C4' energy: -184.624 flat angles P-C4'-P energy: -123.208 tors. eta vs tors. theta energy: -187.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2269.785976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.785976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.785976 (E_RNA) where: Base-Base interactions energy: -1464.830 where: short stacking energy: -661.705 Base-Backbone interact. energy: -5.005 local terms energy: -799.950917 where: bonds (distance) C4'-P energy: -165.532 bonds (distance) P-C4' energy: -165.518 flat angles C4'-P-C4' energy: -171.969 flat angles P-C4'-P energy: -117.793 tors. eta vs tors. theta energy: -179.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2024.203855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.203855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.203855 (E_RNA) where: Base-Base interactions energy: -1315.589 where: short stacking energy: -592.740 Base-Backbone interact. energy: 3.867 local terms energy: -712.481191 where: bonds (distance) C4'-P energy: -150.965 bonds (distance) P-C4' energy: -155.152 flat angles C4'-P-C4' energy: -151.996 flat angles P-C4'-P energy: -117.746 tors. eta vs tors. theta energy: -136.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1653.685753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.685753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.685753 (E_RNA) where: Base-Base interactions energy: -1030.612 where: short stacking energy: -466.684 Base-Backbone interact. energy: -2.156 local terms energy: -620.917483 where: bonds (distance) C4'-P energy: -143.258 bonds (distance) P-C4' energy: -148.612 flat angles C4'-P-C4' energy: -162.352 flat angles P-C4'-P energy: -97.536 tors. eta vs tors. theta energy: -69.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1348.941711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.941711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.941711 (E_RNA) where: Base-Base interactions energy: -765.926 where: short stacking energy: -388.427 Base-Backbone interact. energy: 0.796 local terms energy: -583.812568 where: bonds (distance) C4'-P energy: -142.807 bonds (distance) P-C4' energy: -155.105 flat angles C4'-P-C4' energy: -147.223 flat angles P-C4'-P energy: -90.850 tors. eta vs tors. theta energy: -47.827 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: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -877.169335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.169335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.169335 (E_RNA) where: Base-Base interactions energy: -398.114 where: short stacking energy: -232.905 Base-Backbone interact. energy: 2.249 local terms energy: -481.304479 where: bonds (distance) C4'-P energy: -150.054 bonds (distance) P-C4' energy: -135.103 flat angles C4'-P-C4' energy: -145.584 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: 22.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -794.191709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.191709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.191709 (E_RNA) where: Base-Base interactions energy: -330.179 where: short stacking energy: -221.778 Base-Backbone interact. energy: 0.131 local terms energy: -464.143751 where: bonds (distance) C4'-P energy: -141.546 bonds (distance) P-C4' energy: -160.983 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -59.957 tors. eta vs tors. theta energy: 25.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3025.076042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.076042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.076042 (E_RNA) where: Base-Base interactions energy: -2085.565 where: short stacking energy: -872.764 Base-Backbone interact. energy: -1.552 local terms energy: -937.959013 where: bonds (distance) C4'-P energy: -170.440 bonds (distance) P-C4' energy: -193.452 flat angles C4'-P-C4' energy: -206.259 flat angles P-C4'-P energy: -126.263 tors. eta vs tors. theta energy: -241.545 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: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2839.749772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.749772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.749772 (E_RNA) where: Base-Base interactions energy: -1932.308 where: short stacking energy: -812.453 Base-Backbone interact. energy: -3.548 local terms energy: -903.893295 where: bonds (distance) C4'-P energy: -167.602 bonds (distance) P-C4' energy: -180.986 flat angles C4'-P-C4' energy: -185.900 flat angles P-C4'-P energy: -143.929 tors. eta vs tors. theta energy: -225.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2675.985046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.985046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.985046 (E_RNA) where: Base-Base interactions energy: -1802.026 where: short stacking energy: -777.499 Base-Backbone interact. energy: -3.340 local terms energy: -870.618907 where: bonds (distance) C4'-P energy: -178.053 bonds (distance) P-C4' energy: -173.273 flat angles C4'-P-C4' energy: -190.297 flat angles P-C4'-P energy: -108.396 tors. eta vs tors. theta energy: -220.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2520.981646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.981646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.981646 (E_RNA) where: Base-Base interactions energy: -1665.324 where: short stacking energy: -782.019 Base-Backbone interact. energy: -3.446 local terms energy: -852.211727 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -172.738 flat angles C4'-P-C4' energy: -200.251 flat angles P-C4'-P energy: -111.066 tors. eta vs tors. theta energy: -207.599 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: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2304.769799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.769799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.769799 (E_RNA) where: Base-Base interactions energy: -1496.760 where: short stacking energy: -643.745 Base-Backbone interact. energy: -5.764 local terms energy: -802.246196 where: bonds (distance) C4'-P energy: -161.201 bonds (distance) P-C4' energy: -171.956 flat angles C4'-P-C4' energy: -184.399 flat angles P-C4'-P energy: -117.672 tors. eta vs tors. theta energy: -167.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2083.018510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.018510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.018510 (E_RNA) where: Base-Base interactions energy: -1352.130 where: short stacking energy: -594.512 Base-Backbone interact. energy: -2.210 local terms energy: -728.677718 where: bonds (distance) C4'-P energy: -140.221 bonds (distance) P-C4' energy: -162.343 flat angles C4'-P-C4' energy: -168.991 flat angles P-C4'-P energy: -97.129 tors. eta vs tors. theta energy: -159.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1684.357687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.357687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.357687 (E_RNA) where: Base-Base interactions energy: -1042.838 where: short stacking energy: -490.445 Base-Backbone interact. energy: -4.271 local terms energy: -637.248831 where: bonds (distance) C4'-P energy: -118.312 bonds (distance) P-C4' energy: -145.648 flat angles C4'-P-C4' energy: -170.060 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -98.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1415.429693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.429693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.429693 (E_RNA) where: Base-Base interactions energy: -826.492 where: short stacking energy: -389.704 Base-Backbone interact. energy: 1.026 local terms energy: -589.963383 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -148.159 flat angles C4'-P-C4' energy: -148.121 flat angles P-C4'-P energy: -102.524 tors. eta vs tors. theta energy: -42.564 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: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -941.891477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.891477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.891477 (E_RNA) where: Base-Base interactions energy: -429.127 where: short stacking energy: -266.944 Base-Backbone interact. energy: 8.533 local terms energy: -521.297943 where: bonds (distance) C4'-P energy: -156.405 bonds (distance) P-C4' energy: -162.732 flat angles C4'-P-C4' energy: -124.281 flat angles P-C4'-P energy: -92.654 tors. eta vs tors. theta energy: 14.775 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: 152 Temperature: 1.350000 Total energy: -750.518806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.518806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.518806 (E_RNA) where: Base-Base interactions energy: -291.220 where: short stacking energy: -189.426 Base-Backbone interact. energy: -0.796 local terms energy: -458.502452 where: bonds (distance) C4'-P energy: -153.385 bonds (distance) P-C4' energy: -145.722 flat angles C4'-P-C4' energy: -98.841 flat angles P-C4'-P energy: -87.286 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: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2996.845062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.845062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.845062 (E_RNA) where: Base-Base interactions energy: -2056.260 where: short stacking energy: -833.620 Base-Backbone interact. energy: -7.393 local terms energy: -933.192398 where: bonds (distance) C4'-P energy: -180.185 bonds (distance) P-C4' energy: -191.904 flat angles C4'-P-C4' energy: -207.648 flat angles P-C4'-P energy: -114.629 tors. eta vs tors. theta energy: -238.826 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: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2834.534178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.534178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.534178 (E_RNA) where: Base-Base interactions energy: -1929.426 where: short stacking energy: -836.921 Base-Backbone interact. energy: -3.889 local terms energy: -901.219467 where: bonds (distance) C4'-P energy: -160.384 bonds (distance) P-C4' energy: -188.584 flat angles C4'-P-C4' energy: -203.348 flat angles P-C4'-P energy: -131.616 tors. eta vs tors. theta energy: -217.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2713.311944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.311944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.311944 (E_RNA) where: Base-Base interactions energy: -1851.132 where: short stacking energy: -817.570 Base-Backbone interact. energy: -0.329 local terms energy: -861.851054 where: bonds (distance) C4'-P energy: -143.794 bonds (distance) P-C4' energy: -188.304 flat angles C4'-P-C4' energy: -196.430 flat angles P-C4'-P energy: -118.833 tors. eta vs tors. theta energy: -214.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2543.833463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.833463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.833463 (E_RNA) where: Base-Base interactions energy: -1667.384 where: short stacking energy: -744.646 Base-Backbone interact. energy: 1.504 local terms energy: -877.953422 where: bonds (distance) C4'-P energy: -161.267 bonds (distance) P-C4' energy: -199.572 flat angles C4'-P-C4' energy: -187.993 flat angles P-C4'-P energy: -128.673 tors. eta vs tors. theta energy: -200.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2308.124750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.124750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.124750 (E_RNA) where: Base-Base interactions energy: -1513.092 where: short stacking energy: -702.007 Base-Backbone interact. energy: -0.953 local terms energy: -794.079214 where: bonds (distance) C4'-P energy: -154.859 bonds (distance) P-C4' energy: -155.545 flat angles C4'-P-C4' energy: -190.569 flat angles P-C4'-P energy: -101.731 tors. eta vs tors. theta energy: -191.376 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: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2092.692917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.692917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.692917 (E_RNA) where: Base-Base interactions energy: -1343.231 where: short stacking energy: -602.352 Base-Backbone interact. energy: 3.234 local terms energy: -752.696641 where: bonds (distance) C4'-P energy: -155.844 bonds (distance) P-C4' energy: -162.411 flat angles C4'-P-C4' energy: -168.193 flat angles P-C4'-P energy: -113.561 tors. eta vs tors. theta energy: -152.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1700.248736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.248736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.248736 (E_RNA) where: Base-Base interactions energy: -1079.209 where: short stacking energy: -510.648 Base-Backbone interact. energy: -2.499 local terms energy: -618.540831 where: bonds (distance) C4'-P energy: -143.130 bonds (distance) P-C4' energy: -151.713 flat angles C4'-P-C4' energy: -149.410 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -93.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1410.772169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.772169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.772169 (E_RNA) where: Base-Base interactions energy: -782.163 where: short stacking energy: -375.145 Base-Backbone interact. energy: -0.827 local terms energy: -627.782198 where: bonds (distance) C4'-P energy: -174.047 bonds (distance) P-C4' energy: -151.977 flat angles C4'-P-C4' energy: -156.179 flat angles P-C4'-P energy: -88.835 tors. eta vs tors. theta energy: -56.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -932.447193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.447193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.447193 (E_RNA) where: Base-Base interactions energy: -428.945 where: short stacking energy: -287.577 Base-Backbone interact. energy: 4.637 local terms energy: -508.139850 where: bonds (distance) C4'-P energy: -146.259 bonds (distance) P-C4' energy: -153.972 flat angles C4'-P-C4' energy: -119.579 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -779.357772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.357772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.357772 (E_RNA) where: Base-Base interactions energy: -354.836 where: short stacking energy: -211.811 Base-Backbone interact. energy: 1.651 local terms energy: -426.172849 where: bonds (distance) C4'-P energy: -155.247 bonds (distance) P-C4' energy: -146.127 flat angles C4'-P-C4' energy: -118.730 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: 46.978 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: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2986.492587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.492587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.492587 (E_RNA) where: Base-Base interactions energy: -2047.821 where: short stacking energy: -871.768 Base-Backbone interact. energy: -8.999 local terms energy: -929.671793 where: bonds (distance) C4'-P energy: -194.468 bonds (distance) P-C4' energy: -185.544 flat angles C4'-P-C4' energy: -184.833 flat angles P-C4'-P energy: -127.225 tors. eta vs tors. theta energy: -237.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2847.808554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.808554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.808554 (E_RNA) where: Base-Base interactions energy: -1927.198 where: short stacking energy: -813.954 Base-Backbone interact. energy: -2.527 local terms energy: -918.084136 where: bonds (distance) C4'-P energy: -172.395 bonds (distance) P-C4' energy: -197.356 flat angles C4'-P-C4' energy: -199.895 flat angles P-C4'-P energy: -129.109 tors. eta vs tors. theta energy: -219.329 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: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2689.394279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.394279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.394279 (E_RNA) where: Base-Base interactions energy: -1804.956 where: short stacking energy: -760.397 Base-Backbone interact. energy: -3.571 local terms energy: -880.867540 where: bonds (distance) C4'-P energy: -175.768 bonds (distance) P-C4' energy: -169.887 flat angles C4'-P-C4' energy: -199.032 flat angles P-C4'-P energy: -127.209 tors. eta vs tors. theta energy: -208.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2515.777602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.777602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.777602 (E_RNA) where: Base-Base interactions energy: -1654.160 where: short stacking energy: -724.421 Base-Backbone interact. energy: -0.570 local terms energy: -861.046777 where: bonds (distance) C4'-P energy: -161.094 bonds (distance) P-C4' energy: -187.578 flat angles C4'-P-C4' energy: -188.082 flat angles P-C4'-P energy: -116.780 tors. eta vs tors. theta energy: -207.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2322.985037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.985037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.985037 (E_RNA) where: Base-Base interactions energy: -1548.757 where: short stacking energy: -685.047 Base-Backbone interact. energy: -0.466 local terms energy: -773.761915 where: bonds (distance) C4'-P energy: -150.663 bonds (distance) P-C4' energy: -180.713 flat angles C4'-P-C4' energy: -164.648 flat angles P-C4'-P energy: -105.328 tors. eta vs tors. theta energy: -172.410 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: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2114.913943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.913943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.913943 (E_RNA) where: Base-Base interactions energy: -1342.695 where: short stacking energy: -613.486 Base-Backbone interact. energy: -2.269 local terms energy: -769.949727 where: bonds (distance) C4'-P energy: -180.361 bonds (distance) P-C4' energy: -171.036 flat angles C4'-P-C4' energy: -172.989 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -137.183 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: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1674.288313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.288313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.288313 (E_RNA) where: Base-Base interactions energy: -1055.528 where: short stacking energy: -490.395 Base-Backbone interact. energy: 4.975 local terms energy: -623.734977 where: bonds (distance) C4'-P energy: -159.674 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -143.130 flat angles P-C4'-P energy: -93.631 tors. eta vs tors. theta energy: -82.548 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: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1538.173770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.173770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.173770 (E_RNA) where: Base-Base interactions energy: -964.097 where: short stacking energy: -434.915 Base-Backbone interact. energy: 0.029 local terms energy: -574.106172 where: bonds (distance) C4'-P energy: -124.961 bonds (distance) P-C4' energy: -157.883 flat angles C4'-P-C4' energy: -133.679 flat angles P-C4'-P energy: -91.827 tors. eta vs tors. theta energy: -65.755 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: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -997.920303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.920303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.920303 (E_RNA) where: Base-Base interactions energy: -502.442 where: short stacking energy: -264.725 Base-Backbone interact. energy: 9.962 local terms energy: -505.439822 where: bonds (distance) C4'-P energy: -144.811 bonds (distance) P-C4' energy: -145.832 flat angles C4'-P-C4' energy: -137.650 flat angles P-C4'-P energy: -83.372 tors. eta vs tors. theta energy: 6.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -776.269007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.269007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.269007 (E_RNA) where: Base-Base interactions energy: -326.845 where: short stacking energy: -214.535 Base-Backbone interact. energy: 8.906 local terms energy: -458.329451 where: bonds (distance) C4'-P energy: -133.119 bonds (distance) P-C4' energy: -153.728 flat angles C4'-P-C4' energy: -102.348 flat angles P-C4'-P energy: -80.913 tors. eta vs tors. theta energy: 11.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3006.284728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.284728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.284728 (E_RNA) where: Base-Base interactions energy: -2051.649 where: short stacking energy: -846.589 Base-Backbone interact. energy: -3.814 local terms energy: -950.822429 where: bonds (distance) C4'-P energy: -179.858 bonds (distance) P-C4' energy: -182.727 flat angles C4'-P-C4' energy: -213.002 flat angles P-C4'-P energy: -140.874 tors. eta vs tors. theta energy: -234.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2812.073045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.073045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.073045 (E_RNA) where: Base-Base interactions energy: -1936.277 where: short stacking energy: -828.927 Base-Backbone interact. energy: -0.729 local terms energy: -875.066564 where: bonds (distance) C4'-P energy: -165.800 bonds (distance) P-C4' energy: -176.000 flat angles C4'-P-C4' energy: -190.248 flat angles P-C4'-P energy: -114.224 tors. eta vs tors. theta energy: -228.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2657.820390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.820390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.820390 (E_RNA) where: Base-Base interactions energy: -1815.155 where: short stacking energy: -740.890 Base-Backbone interact. energy: -3.687 local terms energy: -838.977959 where: bonds (distance) C4'-P energy: -168.212 bonds (distance) P-C4' energy: -159.902 flat angles C4'-P-C4' energy: -181.170 flat angles P-C4'-P energy: -119.038 tors. eta vs tors. theta energy: -210.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2565.343141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.343141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.343141 (E_RNA) where: Base-Base interactions energy: -1701.156 where: short stacking energy: -761.560 Base-Backbone interact. energy: 6.723 local terms energy: -870.909636 where: bonds (distance) C4'-P energy: -152.575 bonds (distance) P-C4' energy: -182.262 flat angles C4'-P-C4' energy: -198.137 flat angles P-C4'-P energy: -129.478 tors. eta vs tors. theta energy: -208.458 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: 155 Temperature: 1.100000 Total energy: -2373.286960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.286960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.286960 (E_RNA) where: Base-Base interactions energy: -1543.566 where: short stacking energy: -693.879 Base-Backbone interact. energy: 3.157 local terms energy: -832.878154 where: bonds (distance) C4'-P energy: -167.540 bonds (distance) P-C4' energy: -184.898 flat angles C4'-P-C4' energy: -192.167 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -176.387 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: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2089.566377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.566377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.566377 (E_RNA) where: Base-Base interactions energy: -1369.706 where: short stacking energy: -622.104 Base-Backbone interact. energy: -1.495 local terms energy: -718.364605 where: bonds (distance) C4'-P energy: -167.576 bonds (distance) P-C4' energy: -146.275 flat angles C4'-P-C4' energy: -158.266 flat angles P-C4'-P energy: -105.367 tors. eta vs tors. theta energy: -140.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1693.259242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.259242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.259242 (E_RNA) where: Base-Base interactions energy: -1047.583 where: short stacking energy: -493.820 Base-Backbone interact. energy: 0.051 local terms energy: -645.727262 where: bonds (distance) C4'-P energy: -154.652 bonds (distance) P-C4' energy: -170.256 flat angles C4'-P-C4' energy: -136.429 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: -106.496 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: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1398.994990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.994990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.994990 (E_RNA) where: Base-Base interactions energy: -837.235 where: short stacking energy: -392.633 Base-Backbone interact. energy: -2.152 local terms energy: -559.608548 where: bonds (distance) C4'-P energy: -137.149 bonds (distance) P-C4' energy: -138.820 flat angles C4'-P-C4' energy: -142.820 flat angles P-C4'-P energy: -94.193 tors. eta vs tors. theta energy: -46.626 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: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1041.333942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.333942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.333942 (E_RNA) where: Base-Base interactions energy: -521.356 where: short stacking energy: -273.605 Base-Backbone interact. energy: 4.308 local terms energy: -524.285882 where: bonds (distance) C4'-P energy: -148.758 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -85.779 tors. eta vs tors. theta energy: 6.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -777.564307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.564307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.564307 (E_RNA) where: Base-Base interactions energy: -315.087 where: short stacking energy: -192.716 Base-Backbone interact. energy: -4.271 local terms energy: -458.206276 where: bonds (distance) C4'-P energy: -161.881 bonds (distance) P-C4' energy: -144.968 flat angles C4'-P-C4' energy: -113.042 flat angles P-C4'-P energy: -65.960 tors. eta vs tors. theta energy: 27.646 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: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3022.157117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.157117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.157117 (E_RNA) where: Base-Base interactions energy: -2080.251 where: short stacking energy: -876.152 Base-Backbone interact. energy: 3.888 local terms energy: -945.794239 where: bonds (distance) C4'-P energy: -176.021 bonds (distance) P-C4' energy: -176.383 flat angles C4'-P-C4' energy: -213.716 flat angles P-C4'-P energy: -125.221 tors. eta vs tors. theta energy: -254.453 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: 156 Temperature: 0.950000 Total energy: -2863.004748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.004748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.004748 (E_RNA) where: Base-Base interactions energy: -1967.770 where: short stacking energy: -844.843 Base-Backbone interact. energy: -1.310 local terms energy: -893.924413 where: bonds (distance) C4'-P energy: -164.357 bonds (distance) P-C4' energy: -189.683 flat angles C4'-P-C4' energy: -181.330 flat angles P-C4'-P energy: -134.063 tors. eta vs tors. theta energy: -224.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2706.047490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.047490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.047490 (E_RNA) where: Base-Base interactions energy: -1825.534 where: short stacking energy: -805.458 Base-Backbone interact. energy: 0.063 local terms energy: -880.576410 where: bonds (distance) C4'-P energy: -175.730 bonds (distance) P-C4' energy: -190.049 flat angles C4'-P-C4' energy: -186.649 flat angles P-C4'-P energy: -120.106 tors. eta vs tors. theta energy: -208.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2548.195641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.195641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.195641 (E_RNA) where: Base-Base interactions energy: -1738.678 where: short stacking energy: -744.123 Base-Backbone interact. energy: 6.162 local terms energy: -815.680418 where: bonds (distance) C4'-P energy: -158.830 bonds (distance) P-C4' energy: -164.999 flat angles C4'-P-C4' energy: -178.015 flat angles P-C4'-P energy: -106.273 tors. eta vs tors. theta energy: -207.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2362.879161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.879161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.879161 (E_RNA) where: Base-Base interactions energy: -1567.304 where: short stacking energy: -674.175 Base-Backbone interact. energy: 0.853 local terms energy: -796.428581 where: bonds (distance) C4'-P energy: -153.200 bonds (distance) P-C4' energy: -154.710 flat angles C4'-P-C4' energy: -179.204 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -188.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2121.128509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.128509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.128509 (E_RNA) where: Base-Base interactions energy: -1346.534 where: short stacking energy: -602.199 Base-Backbone interact. energy: -3.392 local terms energy: -771.202425 where: bonds (distance) C4'-P energy: -173.481 bonds (distance) P-C4' energy: -179.475 flat angles C4'-P-C4' energy: -163.894 flat angles P-C4'-P energy: -97.102 tors. eta vs tors. theta energy: -157.250 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: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1736.488757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.488757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.488757 (E_RNA) where: Base-Base interactions energy: -1100.336 where: short stacking energy: -501.985 Base-Backbone interact. energy: 3.664 local terms energy: -639.816596 where: bonds (distance) C4'-P energy: -174.652 bonds (distance) P-C4' energy: -162.315 flat angles C4'-P-C4' energy: -157.922 flat angles P-C4'-P energy: -60.471 tors. eta vs tors. theta energy: -84.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1361.488316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.488316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.488316 (E_RNA) where: Base-Base interactions energy: -798.171 where: short stacking energy: -398.867 Base-Backbone interact. energy: -1.516 local terms energy: -561.800880 where: bonds (distance) C4'-P energy: -147.176 bonds (distance) P-C4' energy: -139.239 flat angles C4'-P-C4' energy: -152.788 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -22.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -991.766923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.766923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.766923 (E_RNA) where: Base-Base interactions energy: -496.094 where: short stacking energy: -261.775 Base-Backbone interact. energy: -1.564 local terms energy: -494.108881 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -153.840 flat angles C4'-P-C4' energy: -132.512 flat angles P-C4'-P energy: -90.613 tors. eta vs tors. theta energy: 8.271 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: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -766.815986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.815986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.815986 (E_RNA) where: Base-Base interactions energy: -299.580 where: short stacking energy: -211.778 Base-Backbone interact. energy: 1.031 local terms energy: -468.267757 where: bonds (distance) C4'-P energy: -142.035 bonds (distance) P-C4' energy: -137.528 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -85.618 tors. eta vs tors. theta energy: 19.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3059.812537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.812537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.812537 (E_RNA) where: Base-Base interactions energy: -2125.277 where: short stacking energy: -884.158 Base-Backbone interact. energy: -2.985 local terms energy: -931.551372 where: bonds (distance) C4'-P energy: -173.447 bonds (distance) P-C4' energy: -166.656 flat angles C4'-P-C4' energy: -205.797 flat angles P-C4'-P energy: -145.357 tors. eta vs tors. theta energy: -240.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2876.404722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.404722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.404722 (E_RNA) where: Base-Base interactions energy: -1949.059 where: short stacking energy: -845.928 Base-Backbone interact. energy: -6.058 local terms energy: -921.288232 where: bonds (distance) C4'-P energy: -173.243 bonds (distance) P-C4' energy: -196.801 flat angles C4'-P-C4' energy: -202.538 flat angles P-C4'-P energy: -116.662 tors. eta vs tors. theta energy: -232.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2696.972201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.972201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.972201 (E_RNA) where: Base-Base interactions energy: -1840.732 where: short stacking energy: -801.028 Base-Backbone interact. energy: -2.013 local terms energy: -854.226684 where: bonds (distance) C4'-P energy: -149.515 bonds (distance) P-C4' energy: -190.093 flat angles C4'-P-C4' energy: -182.393 flat angles P-C4'-P energy: -115.728 tors. eta vs tors. theta energy: -216.497 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: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2428.733657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.733657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.733657 (E_RNA) where: Base-Base interactions energy: -1573.799 where: short stacking energy: -685.761 Base-Backbone interact. energy: -1.219 local terms energy: -853.715965 where: bonds (distance) C4'-P energy: -181.247 bonds (distance) P-C4' energy: -175.557 flat angles C4'-P-C4' energy: -187.731 flat angles P-C4'-P energy: -118.133 tors. eta vs tors. theta energy: -191.049 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: 5, replica: 10 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2400.482196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.482196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.482196 (E_RNA) where: Base-Base interactions energy: -1593.739 where: short stacking energy: -709.956 Base-Backbone interact. energy: -4.039 local terms energy: -802.703978 where: bonds (distance) C4'-P energy: -166.830 bonds (distance) P-C4' energy: -164.847 flat angles C4'-P-C4' energy: -176.557 flat angles P-C4'-P energy: -106.986 tors. eta vs tors. theta energy: -187.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2042.050370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.050370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.050370 (E_RNA) where: Base-Base interactions energy: -1317.685 where: short stacking energy: -581.420 Base-Backbone interact. energy: -2.794 local terms energy: -721.571342 where: bonds (distance) C4'-P energy: -157.948 bonds (distance) P-C4' energy: -139.161 flat angles C4'-P-C4' energy: -160.373 flat angles P-C4'-P energy: -113.337 tors. eta vs tors. theta energy: -150.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1784.217219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.217219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.217219 (E_RNA) where: Base-Base interactions energy: -1094.389 where: short stacking energy: -498.531 Base-Backbone interact. energy: 3.035 local terms energy: -692.863880 where: bonds (distance) C4'-P energy: -163.654 bonds (distance) P-C4' energy: -168.867 flat angles C4'-P-C4' energy: -164.294 flat angles P-C4'-P energy: -70.136 tors. eta vs tors. theta energy: -125.912 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: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1392.236973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.236973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.236973 (E_RNA) where: Base-Base interactions energy: -804.697 where: short stacking energy: -391.562 Base-Backbone interact. energy: 2.323 local terms energy: -589.863447 where: bonds (distance) C4'-P energy: -168.913 bonds (distance) P-C4' energy: -158.486 flat angles C4'-P-C4' energy: -135.918 flat angles P-C4'-P energy: -77.685 tors. eta vs tors. theta energy: -48.862 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -973.211719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.211719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.211719 (E_RNA) where: Base-Base interactions energy: -470.819 where: short stacking energy: -287.401 Base-Backbone interact. energy: -2.317 local terms energy: -500.075344 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -166.106 flat angles C4'-P-C4' energy: -129.015 flat angles P-C4'-P energy: -76.069 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -722.915358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.915358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.915358 (E_RNA) where: Base-Base interactions energy: -247.648 where: short stacking energy: -170.992 Base-Backbone interact. energy: 2.534 local terms energy: -477.801188 where: bonds (distance) C4'-P energy: -148.949 bonds (distance) P-C4' energy: -161.636 flat angles C4'-P-C4' energy: -150.055 flat angles P-C4'-P energy: -67.560 tors. eta vs tors. theta energy: 50.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3043.066118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.066118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.066118 (E_RNA) where: Base-Base interactions energy: -2090.988 where: short stacking energy: -846.590 Base-Backbone interact. energy: -2.520 local terms energy: -949.558086 where: bonds (distance) C4'-P energy: -184.175 bonds (distance) P-C4' energy: -184.828 flat angles C4'-P-C4' energy: -208.861 flat angles P-C4'-P energy: -135.641 tors. eta vs tors. theta energy: -236.053 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: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2851.591377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.591377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.591377 (E_RNA) where: Base-Base interactions energy: -1939.139 where: short stacking energy: -841.945 Base-Backbone interact. energy: 2.998 local terms energy: -915.450779 where: bonds (distance) C4'-P energy: -161.751 bonds (distance) P-C4' energy: -171.331 flat angles C4'-P-C4' energy: -203.331 flat angles P-C4'-P energy: -137.938 tors. eta vs tors. theta energy: -241.099 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: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2652.029741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.029741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.029741 (E_RNA) where: Base-Base interactions energy: -1791.599 where: short stacking energy: -759.525 Base-Backbone interact. energy: -0.508 local terms energy: -859.922643 where: bonds (distance) C4'-P energy: -189.492 bonds (distance) P-C4' energy: -156.941 flat angles C4'-P-C4' energy: -188.827 flat angles P-C4'-P energy: -115.359 tors. eta vs tors. theta energy: -209.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2437.346357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.346357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.346357 (E_RNA) where: Base-Base interactions energy: -1613.880 where: short stacking energy: -747.453 Base-Backbone interact. energy: 0.305 local terms energy: -823.770805 where: bonds (distance) C4'-P energy: -159.787 bonds (distance) P-C4' energy: -154.572 flat angles C4'-P-C4' energy: -197.468 flat angles P-C4'-P energy: -99.573 tors. eta vs tors. theta energy: -212.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2389.109177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.109177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.109177 (E_RNA) where: Base-Base interactions energy: -1624.317 where: short stacking energy: -680.161 Base-Backbone interact. energy: 0.225 local terms energy: -765.017690 where: bonds (distance) C4'-P energy: -157.600 bonds (distance) P-C4' energy: -155.923 flat angles C4'-P-C4' energy: -163.315 flat angles P-C4'-P energy: -104.840 tors. eta vs tors. theta energy: -183.341 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: 158 Temperature: 1.150000 Total energy: -2031.468926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.468926 (E_RNA) where: Base-Base interactions energy: -1280.332 where: short stacking energy: -588.940 Base-Backbone interact. energy: 1.540 local terms energy: -752.676555 where: bonds (distance) C4'-P energy: -180.765 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -163.019 flat angles P-C4'-P energy: -114.137 tors. eta vs tors. theta energy: -150.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1757.319722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.319722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.319722 (E_RNA) where: Base-Base interactions energy: -1101.985 where: short stacking energy: -512.175 Base-Backbone interact. energy: 4.562 local terms energy: -659.896605 where: bonds (distance) C4'-P energy: -142.333 bonds (distance) P-C4' energy: -158.147 flat angles C4'-P-C4' energy: -166.595 flat angles P-C4'-P energy: -81.710 tors. eta vs tors. theta energy: -111.112 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: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1452.413903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.413903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.413903 (E_RNA) where: Base-Base interactions energy: -819.947 where: short stacking energy: -377.679 Base-Backbone interact. energy: -3.690 local terms energy: -628.776748 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -179.062 flat angles C4'-P-C4' energy: -157.483 flat angles P-C4'-P energy: -105.289 tors. eta vs tors. theta energy: -56.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -954.876340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.876340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.876340 (E_RNA) where: Base-Base interactions energy: -424.699 where: short stacking energy: -249.168 Base-Backbone interact. energy: -0.835 local terms energy: -529.342624 where: bonds (distance) C4'-P energy: -149.333 bonds (distance) P-C4' energy: -169.948 flat angles C4'-P-C4' energy: -130.452 flat angles P-C4'-P energy: -74.829 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -714.849998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.849998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.849998 (E_RNA) where: Base-Base interactions energy: -241.716 where: short stacking energy: -174.916 Base-Backbone interact. energy: 3.802 local terms energy: -476.935661 where: bonds (distance) C4'-P energy: -142.219 bonds (distance) P-C4' energy: -171.481 flat angles C4'-P-C4' energy: -132.568 flat angles P-C4'-P energy: -57.470 tors. eta vs tors. theta energy: 26.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3003.357537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.357537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.357537 (E_RNA) where: Base-Base interactions energy: -2041.912 where: short stacking energy: -862.829 Base-Backbone interact. energy: -2.855 local terms energy: -958.591292 where: bonds (distance) C4'-P energy: -173.785 bonds (distance) P-C4' energy: -189.135 flat angles C4'-P-C4' energy: -214.648 flat angles P-C4'-P energy: -130.960 tors. eta vs tors. theta energy: -250.064 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: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2879.141700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.141700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.141700 (E_RNA) where: Base-Base interactions energy: -1939.137 where: short stacking energy: -843.925 Base-Backbone interact. energy: -1.715 local terms energy: -938.290408 where: bonds (distance) C4'-P energy: -188.684 bonds (distance) P-C4' energy: -167.034 flat angles C4'-P-C4' energy: -202.581 flat angles P-C4'-P energy: -128.540 tors. eta vs tors. theta energy: -251.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2685.013516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.013516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.013516 (E_RNA) where: Base-Base interactions energy: -1824.770 where: short stacking energy: -768.390 Base-Backbone interact. energy: -4.253 local terms energy: -855.989752 where: bonds (distance) C4'-P energy: -157.327 bonds (distance) P-C4' energy: -173.653 flat angles C4'-P-C4' energy: -193.679 flat angles P-C4'-P energy: -128.654 tors. eta vs tors. theta energy: -202.676 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: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2397.439464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.439464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.439464 (E_RNA) where: Base-Base interactions energy: -1592.903 where: short stacking energy: -700.931 Base-Backbone interact. energy: -1.797 local terms energy: -802.740140 where: bonds (distance) C4'-P energy: -156.810 bonds (distance) P-C4' energy: -172.491 flat angles C4'-P-C4' energy: -168.456 flat angles P-C4'-P energy: -129.691 tors. eta vs tors. theta energy: -175.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2359.832551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.832551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.832551 (E_RNA) where: Base-Base interactions energy: -1548.286 where: short stacking energy: -721.735 Base-Backbone interact. energy: -4.560 local terms energy: -806.986979 where: bonds (distance) C4'-P energy: -156.962 bonds (distance) P-C4' energy: -153.912 flat angles C4'-P-C4' energy: -184.183 flat angles P-C4'-P energy: -111.542 tors. eta vs tors. theta energy: -200.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2027.131993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.131993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.131993 (E_RNA) where: Base-Base interactions energy: -1277.995 where: short stacking energy: -610.771 Base-Backbone interact. energy: 4.481 local terms energy: -753.618503 where: bonds (distance) C4'-P energy: -153.989 bonds (distance) P-C4' energy: -171.349 flat angles C4'-P-C4' energy: -165.092 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -154.526 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: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1770.001687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.001687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.001687 (E_RNA) where: Base-Base interactions energy: -1143.538 where: short stacking energy: -534.606 Base-Backbone interact. energy: 2.734 local terms energy: -629.196971 where: bonds (distance) C4'-P energy: -143.075 bonds (distance) P-C4' energy: -146.419 flat angles C4'-P-C4' energy: -144.030 flat angles P-C4'-P energy: -88.784 tors. eta vs tors. theta energy: -106.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1399.595626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.595626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.595626 (E_RNA) where: Base-Base interactions energy: -828.866 where: short stacking energy: -413.017 Base-Backbone interact. energy: -3.031 local terms energy: -567.698737 where: bonds (distance) C4'-P energy: -148.877 bonds (distance) P-C4' energy: -154.129 flat angles C4'-P-C4' energy: -147.807 flat angles P-C4'-P energy: -76.881 tors. eta vs tors. theta energy: -40.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -962.634776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.634776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.634776 (E_RNA) where: Base-Base interactions energy: -472.538 where: short stacking energy: -252.044 Base-Backbone interact. energy: -2.950 local terms energy: -487.147298 where: bonds (distance) C4'-P energy: -154.802 bonds (distance) P-C4' energy: -168.765 flat angles C4'-P-C4' energy: -114.223 flat angles P-C4'-P energy: -54.321 tors. eta vs tors. theta energy: 4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -713.543472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.543472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.543472 (E_RNA) where: Base-Base interactions energy: -309.900 where: short stacking energy: -195.447 Base-Backbone interact. energy: 1.998 local terms energy: -405.641822 where: bonds (distance) C4'-P energy: -116.752 bonds (distance) P-C4' energy: -154.799 flat angles C4'-P-C4' energy: -106.496 flat angles P-C4'-P energy: -53.949 tors. eta vs tors. theta energy: 26.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3025.598498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.598498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.598498 (E_RNA) where: Base-Base interactions energy: -2085.810 where: short stacking energy: -886.247 Base-Backbone interact. energy: -2.866 local terms energy: -936.922719 where: bonds (distance) C4'-P energy: -168.151 bonds (distance) P-C4' energy: -172.678 flat angles C4'-P-C4' energy: -212.071 flat angles P-C4'-P energy: -127.887 tors. eta vs tors. theta energy: -256.135 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: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2838.793697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.793697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.793697 (E_RNA) where: Base-Base interactions energy: -1929.567 where: short stacking energy: -820.820 Base-Backbone interact. energy: 1.937 local terms energy: -911.163188 where: bonds (distance) C4'-P energy: -170.495 bonds (distance) P-C4' energy: -179.242 flat angles C4'-P-C4' energy: -200.275 flat angles P-C4'-P energy: -121.768 tors. eta vs tors. theta energy: -239.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2641.291323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.291323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.291323 (E_RNA) where: Base-Base interactions energy: -1764.600 where: short stacking energy: -755.463 Base-Backbone interact. energy: -1.734 local terms energy: -874.957494 where: bonds (distance) C4'-P energy: -171.408 bonds (distance) P-C4' energy: -177.385 flat angles C4'-P-C4' energy: -196.341 flat angles P-C4'-P energy: -126.256 tors. eta vs tors. theta energy: -203.569 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: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2390.949739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.949739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.949739 (E_RNA) where: Base-Base interactions energy: -1581.944 where: short stacking energy: -720.198 Base-Backbone interact. energy: -0.522 local terms energy: -808.483048 where: bonds (distance) C4'-P energy: -158.370 bonds (distance) P-C4' energy: -173.957 flat angles C4'-P-C4' energy: -184.564 flat angles P-C4'-P energy: -107.758 tors. eta vs tors. theta energy: -183.834 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: 5, replica: 10 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2359.971011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.971011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.971011 (E_RNA) where: Base-Base interactions energy: -1551.755 where: short stacking energy: -687.721 Base-Backbone interact. energy: -1.517 local terms energy: -806.698866 where: bonds (distance) C4'-P energy: -144.366 bonds (distance) P-C4' energy: -185.683 flat angles C4'-P-C4' energy: -195.923 flat angles P-C4'-P energy: -102.521 tors. eta vs tors. theta energy: -178.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2009.773379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.773379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.773379 (E_RNA) where: Base-Base interactions energy: -1310.631 where: short stacking energy: -591.509 Base-Backbone interact. energy: -3.427 local terms energy: -695.715807 where: bonds (distance) C4'-P energy: -128.863 bonds (distance) P-C4' energy: -145.263 flat angles C4'-P-C4' energy: -168.644 flat angles P-C4'-P energy: -107.935 tors. eta vs tors. theta energy: -145.011 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: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1810.580204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.580204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.580204 (E_RNA) where: Base-Base interactions energy: -1117.123 where: short stacking energy: -514.505 Base-Backbone interact. energy: -0.374 local terms energy: -693.082781 where: bonds (distance) C4'-P energy: -147.235 bonds (distance) P-C4' energy: -160.366 flat angles C4'-P-C4' energy: -167.935 flat angles P-C4'-P energy: -107.130 tors. eta vs tors. theta energy: -110.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1375.739320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.739320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.739320 (E_RNA) where: Base-Base interactions energy: -814.402 where: short stacking energy: -377.404 Base-Backbone interact. energy: 6.653 local terms energy: -567.990699 where: bonds (distance) C4'-P energy: -146.829 bonds (distance) P-C4' energy: -154.214 flat angles C4'-P-C4' energy: -131.344 flat angles P-C4'-P energy: -94.887 tors. eta vs tors. theta energy: -40.716 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: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -984.579874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.579874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.579874 (E_RNA) where: Base-Base interactions energy: -500.458 where: short stacking energy: -275.383 Base-Backbone interact. energy: 5.238 local terms energy: -489.360266 where: bonds (distance) C4'-P energy: -153.256 bonds (distance) P-C4' energy: -152.756 flat angles C4'-P-C4' energy: -140.873 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: 8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -741.425240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.425240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.425240 (E_RNA) where: Base-Base interactions energy: -245.664 where: short stacking energy: -205.902 Base-Backbone interact. energy: -1.320 local terms energy: -494.441989 where: bonds (distance) C4'-P energy: -144.084 bonds (distance) P-C4' energy: -167.897 flat angles C4'-P-C4' energy: -136.956 flat angles P-C4'-P energy: -74.065 tors. eta vs tors. theta energy: 28.559 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: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3025.204460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.204460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.204460 (E_RNA) where: Base-Base interactions energy: -2053.599 where: short stacking energy: -864.324 Base-Backbone interact. energy: -3.188 local terms energy: -968.417693 where: bonds (distance) C4'-P energy: -185.625 bonds (distance) P-C4' energy: -199.604 flat angles C4'-P-C4' energy: -197.325 flat angles P-C4'-P energy: -141.114 tors. eta vs tors. theta energy: -244.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2867.433127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.433127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.433127 (E_RNA) where: Base-Base interactions energy: -1982.014 where: short stacking energy: -860.004 Base-Backbone interact. energy: -0.085 local terms energy: -885.333785 where: bonds (distance) C4'-P energy: -161.864 bonds (distance) P-C4' energy: -182.006 flat angles C4'-P-C4' energy: -191.456 flat angles P-C4'-P energy: -114.763 tors. eta vs tors. theta energy: -235.244 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: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2616.838257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.838257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.838257 (E_RNA) where: Base-Base interactions energy: -1748.783 where: short stacking energy: -746.820 Base-Backbone interact. energy: -5.124 local terms energy: -862.931821 where: bonds (distance) C4'-P energy: -162.008 bonds (distance) P-C4' energy: -174.411 flat angles C4'-P-C4' energy: -203.296 flat angles P-C4'-P energy: -122.219 tors. eta vs tors. theta energy: -200.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2409.197977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.197977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.197977 (E_RNA) where: Base-Base interactions energy: -1573.678 where: short stacking energy: -712.183 Base-Backbone interact. energy: -1.898 local terms energy: -833.621460 where: bonds (distance) C4'-P energy: -169.266 bonds (distance) P-C4' energy: -173.504 flat angles C4'-P-C4' energy: -175.635 flat angles P-C4'-P energy: -123.674 tors. eta vs tors. theta energy: -191.542 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: 161 Temperature: 1.100000 Total energy: -2318.509234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.509234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.509234 (E_RNA) where: Base-Base interactions energy: -1548.896 where: short stacking energy: -696.911 Base-Backbone interact. energy: 1.169 local terms energy: -770.782319 where: bonds (distance) C4'-P energy: -153.257 bonds (distance) P-C4' energy: -154.259 flat angles C4'-P-C4' energy: -175.384 flat angles P-C4'-P energy: -111.433 tors. eta vs tors. theta energy: -176.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2126.840534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.840534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.840534 (E_RNA) where: Base-Base interactions energy: -1422.972 where: short stacking energy: -604.083 Base-Backbone interact. energy: 0.898 local terms energy: -704.767301 where: bonds (distance) C4'-P energy: -156.834 bonds (distance) P-C4' energy: -159.437 flat angles C4'-P-C4' energy: -171.093 flat angles P-C4'-P energy: -80.621 tors. eta vs tors. theta energy: -136.783 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: 161 Temperature: 1.200000 Total energy: -1877.591303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.591303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.591303 (E_RNA) where: Base-Base interactions energy: -1190.441 where: short stacking energy: -536.276 Base-Backbone interact. energy: -2.388 local terms energy: -684.762608 where: bonds (distance) C4'-P energy: -142.124 bonds (distance) P-C4' energy: -149.886 flat angles C4'-P-C4' energy: -161.126 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -128.096 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: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1341.304569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.304569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.304569 (E_RNA) where: Base-Base interactions energy: -751.232 where: short stacking energy: -337.711 Base-Backbone interact. energy: 2.056 local terms energy: -592.128659 where: bonds (distance) C4'-P energy: -140.490 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -172.429 flat angles P-C4'-P energy: -83.439 tors. eta vs tors. theta energy: -33.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1051.860894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.860894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.860894 (E_RNA) where: Base-Base interactions energy: -495.742 where: short stacking energy: -288.806 Base-Backbone interact. energy: 3.393 local terms energy: -559.511718 where: bonds (distance) C4'-P energy: -149.272 bonds (distance) P-C4' energy: -153.501 flat angles C4'-P-C4' energy: -142.764 flat angles P-C4'-P energy: -78.146 tors. eta vs tors. theta energy: -35.828 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: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -677.355880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.355880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.355880 (E_RNA) where: Base-Base interactions energy: -227.615 where: short stacking energy: -169.860 Base-Backbone interact. energy: 4.206 local terms energy: -453.946723 where: bonds (distance) C4'-P energy: -147.232 bonds (distance) P-C4' energy: -137.624 flat angles C4'-P-C4' energy: -137.959 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: 50.746 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: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3048.815425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.815425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.815425 (E_RNA) where: Base-Base interactions energy: -2101.801 where: short stacking energy: -873.932 Base-Backbone interact. energy: -5.904 local terms energy: -941.109949 where: bonds (distance) C4'-P energy: -173.642 bonds (distance) P-C4' energy: -182.095 flat angles C4'-P-C4' energy: -203.702 flat angles P-C4'-P energy: -124.880 tors. eta vs tors. theta energy: -256.792 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: 162 Temperature: 0.950000 Total energy: -2844.682585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.682585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.682585 (E_RNA) where: Base-Base interactions energy: -1918.171 where: short stacking energy: -816.428 Base-Backbone interact. energy: -4.131 local terms energy: -922.381101 where: bonds (distance) C4'-P energy: -180.245 bonds (distance) P-C4' energy: -199.630 flat angles C4'-P-C4' energy: -196.816 flat angles P-C4'-P energy: -128.977 tors. eta vs tors. theta energy: -216.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2623.606536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.606536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.606536 (E_RNA) where: Base-Base interactions energy: -1789.581 where: short stacking energy: -729.639 Base-Backbone interact. energy: -3.243 local terms energy: -830.782412 where: bonds (distance) C4'-P energy: -141.696 bonds (distance) P-C4' energy: -170.663 flat angles C4'-P-C4' energy: -174.192 flat angles P-C4'-P energy: -132.168 tors. eta vs tors. theta energy: -212.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2444.357186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.357186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.357186 (E_RNA) where: Base-Base interactions energy: -1582.203 where: short stacking energy: -729.389 Base-Backbone interact. energy: -2.235 local terms energy: -859.919255 where: bonds (distance) C4'-P energy: -169.140 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -194.468 flat angles P-C4'-P energy: -121.111 tors. eta vs tors. theta energy: -217.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2280.034753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.034753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.034753 (E_RNA) where: Base-Base interactions energy: -1504.889 where: short stacking energy: -656.010 Base-Backbone interact. energy: -3.910 local terms energy: -771.235929 where: bonds (distance) C4'-P energy: -162.217 bonds (distance) P-C4' energy: -156.059 flat angles C4'-P-C4' energy: -177.781 flat angles P-C4'-P energy: -102.209 tors. eta vs tors. theta energy: -172.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2181.281161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.281161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.281161 (E_RNA) where: Base-Base interactions energy: -1420.135 where: short stacking energy: -652.629 Base-Backbone interact. energy: 0.135 local terms energy: -761.281154 where: bonds (distance) C4'-P energy: -157.735 bonds (distance) P-C4' energy: -166.647 flat angles C4'-P-C4' energy: -172.151 flat angles P-C4'-P energy: -98.737 tors. eta vs tors. theta energy: -166.011 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: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1824.083057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.083057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.083057 (E_RNA) where: Base-Base interactions energy: -1172.269 where: short stacking energy: -534.387 Base-Backbone interact. energy: 4.689 local terms energy: -656.503067 where: bonds (distance) C4'-P energy: -145.277 bonds (distance) P-C4' energy: -153.566 flat angles C4'-P-C4' energy: -150.936 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -128.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1312.244950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.244950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.244950 (E_RNA) where: Base-Base interactions energy: -762.145 where: short stacking energy: -358.716 Base-Backbone interact. energy: 0.364 local terms energy: -550.464434 where: bonds (distance) C4'-P energy: -149.192 bonds (distance) P-C4' energy: -138.454 flat angles C4'-P-C4' energy: -142.656 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -26.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -967.090464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.090464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.090464 (E_RNA) where: Base-Base interactions energy: -451.860 where: short stacking energy: -263.369 Base-Backbone interact. energy: -3.563 local terms energy: -511.667329 where: bonds (distance) C4'-P energy: -148.479 bonds (distance) P-C4' energy: -165.957 flat angles C4'-P-C4' energy: -122.375 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: 4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -650.041773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.041773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.041773 (E_RNA) where: Base-Base interactions energy: -205.784 where: short stacking energy: -188.972 Base-Backbone interact. energy: -1.242 local terms energy: -443.015635 where: bonds (distance) C4'-P energy: -139.754 bonds (distance) P-C4' energy: -135.752 flat angles C4'-P-C4' energy: -130.665 flat angles P-C4'-P energy: -77.848 tors. eta vs tors. theta energy: 41.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3007.684278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.684278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.684278 (E_RNA) where: Base-Base interactions energy: -2048.742 where: short stacking energy: -876.067 Base-Backbone interact. energy: -5.771 local terms energy: -953.171912 where: bonds (distance) C4'-P energy: -186.550 bonds (distance) P-C4' energy: -182.404 flat angles C4'-P-C4' energy: -203.577 flat angles P-C4'-P energy: -133.509 tors. eta vs tors. theta energy: -247.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2860.945230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.945230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.945230 (E_RNA) where: Base-Base interactions energy: -1940.775 where: short stacking energy: -829.832 Base-Backbone interact. energy: -3.603 local terms energy: -916.567465 where: bonds (distance) C4'-P energy: -170.629 bonds (distance) P-C4' energy: -191.282 flat angles C4'-P-C4' energy: -202.785 flat angles P-C4'-P energy: -124.571 tors. eta vs tors. theta energy: -227.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2645.237191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.237191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.237191 (E_RNA) where: Base-Base interactions energy: -1771.091 where: short stacking energy: -757.903 Base-Backbone interact. energy: 6.170 local terms energy: -880.316351 where: bonds (distance) C4'-P energy: -166.865 bonds (distance) P-C4' energy: -189.939 flat angles C4'-P-C4' energy: -185.127 flat angles P-C4'-P energy: -132.809 tors. eta vs tors. theta energy: -205.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2419.309104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.309104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.309104 (E_RNA) where: Base-Base interactions energy: -1596.824 where: short stacking energy: -731.130 Base-Backbone interact. energy: 1.768 local terms energy: -824.252587 where: bonds (distance) C4'-P energy: -139.012 bonds (distance) P-C4' energy: -177.202 flat angles C4'-P-C4' energy: -191.088 flat angles P-C4'-P energy: -116.344 tors. eta vs tors. theta energy: -200.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2293.541762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.541762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.541762 (E_RNA) where: Base-Base interactions energy: -1545.988 where: short stacking energy: -654.580 Base-Backbone interact. energy: 1.363 local terms energy: -748.916972 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -156.145 flat angles C4'-P-C4' energy: -174.409 flat angles P-C4'-P energy: -122.138 tors. eta vs tors. theta energy: -170.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2167.802448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.802448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.802448 (E_RNA) where: Base-Base interactions energy: -1421.815 where: short stacking energy: -624.277 Base-Backbone interact. energy: -1.776 local terms energy: -744.211828 where: bonds (distance) C4'-P energy: -148.810 bonds (distance) P-C4' energy: -175.946 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -109.349 tors. eta vs tors. theta energy: -161.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1810.913514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.913514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.913514 (E_RNA) where: Base-Base interactions energy: -1151.259 where: short stacking energy: -485.464 Base-Backbone interact. energy: 0.707 local terms energy: -660.360925 where: bonds (distance) C4'-P energy: -150.951 bonds (distance) P-C4' energy: -143.444 flat angles C4'-P-C4' energy: -153.847 flat angles P-C4'-P energy: -117.915 tors. eta vs tors. theta energy: -94.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1507.763893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.763893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.763893 (E_RNA) where: Base-Base interactions energy: -910.426 where: short stacking energy: -434.877 Base-Backbone interact. energy: 1.891 local terms energy: -599.228287 where: bonds (distance) C4'-P energy: -133.499 bonds (distance) P-C4' energy: -144.259 flat angles C4'-P-C4' energy: -152.084 flat angles P-C4'-P energy: -87.452 tors. eta vs tors. theta energy: -81.934 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: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -937.812518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.812518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.812518 (E_RNA) where: Base-Base interactions energy: -420.001 where: short stacking energy: -275.511 Base-Backbone interact. energy: 3.409 local terms energy: -521.220654 where: bonds (distance) C4'-P energy: -165.000 bonds (distance) P-C4' energy: -132.876 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -74.211 tors. eta vs tors. theta energy: -6.962 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: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -712.732048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.732048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.732048 (E_RNA) where: Base-Base interactions energy: -256.051 where: short stacking energy: -184.217 Base-Backbone interact. energy: 0.978 local terms energy: -457.659068 where: bonds (distance) C4'-P energy: -149.827 bonds (distance) P-C4' energy: -163.787 flat angles C4'-P-C4' energy: -93.412 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: 18.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3023.678695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.678695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.678695 (E_RNA) where: Base-Base interactions energy: -2046.968 where: short stacking energy: -869.279 Base-Backbone interact. energy: 1.534 local terms energy: -978.244547 where: bonds (distance) C4'-P energy: -202.401 bonds (distance) P-C4' energy: -178.578 flat angles C4'-P-C4' energy: -207.467 flat angles P-C4'-P energy: -147.152 tors. eta vs tors. theta energy: -242.646 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: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2858.515433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.515433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.515433 (E_RNA) where: Base-Base interactions energy: -1941.131 where: short stacking energy: -807.165 Base-Backbone interact. energy: -2.948 local terms energy: -914.436389 where: bonds (distance) C4'-P energy: -183.359 bonds (distance) P-C4' energy: -179.517 flat angles C4'-P-C4' energy: -204.361 flat angles P-C4'-P energy: -120.870 tors. eta vs tors. theta energy: -226.330 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: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2672.188044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.188044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.188044 (E_RNA) where: Base-Base interactions energy: -1817.267 where: short stacking energy: -761.648 Base-Backbone interact. energy: -3.085 local terms energy: -851.835894 where: bonds (distance) C4'-P energy: -168.198 bonds (distance) P-C4' energy: -173.696 flat angles C4'-P-C4' energy: -191.731 flat angles P-C4'-P energy: -119.741 tors. eta vs tors. theta energy: -198.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2391.631981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.631981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.631981 (E_RNA) where: Base-Base interactions energy: -1560.725 where: short stacking energy: -705.576 Base-Backbone interact. energy: -2.736 local terms energy: -828.171136 where: bonds (distance) C4'-P energy: -165.473 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -194.057 flat angles P-C4'-P energy: -124.282 tors. eta vs tors. theta energy: -192.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2343.990103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.990103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.990103 (E_RNA) where: Base-Base interactions energy: -1532.390 where: short stacking energy: -666.485 Base-Backbone interact. energy: -3.164 local terms energy: -808.436173 where: bonds (distance) C4'-P energy: -173.374 bonds (distance) P-C4' energy: -185.707 flat angles C4'-P-C4' energy: -181.548 flat angles P-C4'-P energy: -92.375 tors. eta vs tors. theta energy: -175.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2192.043015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.043015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.043015 (E_RNA) where: Base-Base interactions energy: -1455.227 where: short stacking energy: -639.505 Base-Backbone interact. energy: -3.964 local terms energy: -732.852541 where: bonds (distance) C4'-P energy: -171.210 bonds (distance) P-C4' energy: -139.183 flat angles C4'-P-C4' energy: -164.805 flat angles P-C4'-P energy: -84.776 tors. eta vs tors. theta energy: -172.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1819.508942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.508942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.508942 (E_RNA) where: Base-Base interactions energy: -1178.661 where: short stacking energy: -533.582 Base-Backbone interact. energy: 5.021 local terms energy: -645.869652 where: bonds (distance) C4'-P energy: -166.576 bonds (distance) P-C4' energy: -137.990 flat angles C4'-P-C4' energy: -118.040 flat angles P-C4'-P energy: -119.995 tors. eta vs tors. theta energy: -103.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1447.049635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.049635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.049635 (E_RNA) where: Base-Base interactions energy: -854.085 where: short stacking energy: -387.783 Base-Backbone interact. energy: 3.799 local terms energy: -596.764242 where: bonds (distance) C4'-P energy: -155.614 bonds (distance) P-C4' energy: -161.743 flat angles C4'-P-C4' energy: -146.686 flat angles P-C4'-P energy: -89.512 tors. eta vs tors. theta energy: -43.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -921.261386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.261386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.261386 (E_RNA) where: Base-Base interactions energy: -420.398 where: short stacking energy: -253.470 Base-Backbone interact. energy: 3.941 local terms energy: -504.804377 where: bonds (distance) C4'-P energy: -148.118 bonds (distance) P-C4' energy: -158.474 flat angles C4'-P-C4' energy: -145.034 flat angles P-C4'-P energy: -53.647 tors. eta vs tors. theta energy: 0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -685.639039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.639039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.639039 (E_RNA) where: Base-Base interactions energy: -250.025 where: short stacking energy: -207.599 Base-Backbone interact. energy: -1.022 local terms energy: -434.591473 where: bonds (distance) C4'-P energy: -123.480 bonds (distance) P-C4' energy: -158.935 flat angles C4'-P-C4' energy: -119.435 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: 27.524 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: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2996.637442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.637442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.637442 (E_RNA) where: Base-Base interactions energy: -2074.888 where: short stacking energy: -878.288 Base-Backbone interact. energy: -1.935 local terms energy: -919.814140 where: bonds (distance) C4'-P energy: -188.915 bonds (distance) P-C4' energy: -167.768 flat angles C4'-P-C4' energy: -191.282 flat angles P-C4'-P energy: -124.143 tors. eta vs tors. theta energy: -247.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2875.471675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.471675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.471675 (E_RNA) where: Base-Base interactions energy: -1993.324 where: short stacking energy: -854.499 Base-Backbone interact. energy: -0.205 local terms energy: -881.942403 where: bonds (distance) C4'-P energy: -168.097 bonds (distance) P-C4' energy: -172.448 flat angles C4'-P-C4' energy: -180.986 flat angles P-C4'-P energy: -127.794 tors. eta vs tors. theta energy: -232.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2674.827786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.827786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.827786 (E_RNA) where: Base-Base interactions energy: -1781.918 where: short stacking energy: -796.528 Base-Backbone interact. energy: 9.926 local terms energy: -902.835801 where: bonds (distance) C4'-P energy: -160.552 bonds (distance) P-C4' energy: -178.454 flat angles C4'-P-C4' energy: -197.983 flat angles P-C4'-P energy: -134.561 tors. eta vs tors. theta energy: -231.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2412.717827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.717827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.717827 (E_RNA) where: Base-Base interactions energy: -1590.111 where: short stacking energy: -716.769 Base-Backbone interact. energy: -0.721 local terms energy: -821.886374 where: bonds (distance) C4'-P energy: -165.027 bonds (distance) P-C4' energy: -172.303 flat angles C4'-P-C4' energy: -191.271 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -182.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2337.263839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.263839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.263839 (E_RNA) where: Base-Base interactions energy: -1537.034 where: short stacking energy: -706.487 Base-Backbone interact. energy: 3.092 local terms energy: -803.321746 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -150.375 flat angles C4'-P-C4' energy: -177.691 flat angles P-C4'-P energy: -124.081 tors. eta vs tors. theta energy: -194.211 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: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2164.301950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.301950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.301950 (E_RNA) where: Base-Base interactions energy: -1423.768 where: short stacking energy: -625.032 Base-Backbone interact. energy: -2.894 local terms energy: -737.639526 where: bonds (distance) C4'-P energy: -150.996 bonds (distance) P-C4' energy: -161.693 flat angles C4'-P-C4' energy: -159.353 flat angles P-C4'-P energy: -112.700 tors. eta vs tors. theta energy: -152.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1793.469007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.469007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.469007 (E_RNA) where: Base-Base interactions energy: -1146.815 where: short stacking energy: -521.044 Base-Backbone interact. energy: -2.039 local terms energy: -644.615578 where: bonds (distance) C4'-P energy: -159.305 bonds (distance) P-C4' energy: -144.365 flat angles C4'-P-C4' energy: -144.317 flat angles P-C4'-P energy: -98.469 tors. eta vs tors. theta energy: -98.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1391.747724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.747724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.747724 (E_RNA) where: Base-Base interactions energy: -817.494 where: short stacking energy: -402.518 Base-Backbone interact. energy: 4.048 local terms energy: -578.302118 where: bonds (distance) C4'-P energy: -142.997 bonds (distance) P-C4' energy: -141.145 flat angles C4'-P-C4' energy: -156.575 flat angles P-C4'-P energy: -88.666 tors. eta vs tors. theta energy: -48.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -936.977298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.977298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.977298 (E_RNA) where: Base-Base interactions energy: -458.667 where: short stacking energy: -282.483 Base-Backbone interact. energy: -0.363 local terms energy: -477.947223 where: bonds (distance) C4'-P energy: -147.989 bonds (distance) P-C4' energy: -132.316 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: 9.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -680.185643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.185643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.185643 (E_RNA) where: Base-Base interactions energy: -242.425 where: short stacking energy: -167.552 Base-Backbone interact. energy: -2.014 local terms energy: -435.746244 where: bonds (distance) C4'-P energy: -154.823 bonds (distance) P-C4' energy: -157.214 flat angles C4'-P-C4' energy: -118.666 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: 41.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2956.777259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.777259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.777259 (E_RNA) where: Base-Base interactions energy: -2005.733 where: short stacking energy: -836.209 Base-Backbone interact. energy: -0.913 local terms energy: -950.131186 where: bonds (distance) C4'-P energy: -182.785 bonds (distance) P-C4' energy: -186.210 flat angles C4'-P-C4' energy: -212.152 flat angles P-C4'-P energy: -149.007 tors. eta vs tors. theta energy: -219.978 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: 166 Temperature: 0.950000 Total energy: -2842.479431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.479431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.479431 (E_RNA) where: Base-Base interactions energy: -1930.232 where: short stacking energy: -838.938 Base-Backbone interact. energy: -1.616 local terms energy: -910.631214 where: bonds (distance) C4'-P energy: -169.365 bonds (distance) P-C4' energy: -181.599 flat angles C4'-P-C4' energy: -208.349 flat angles P-C4'-P energy: -124.436 tors. eta vs tors. theta energy: -226.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2642.377076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.377076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.377076 (E_RNA) where: Base-Base interactions energy: -1748.749 where: short stacking energy: -797.450 Base-Backbone interact. energy: -0.253 local terms energy: -893.374982 where: bonds (distance) C4'-P energy: -180.498 bonds (distance) P-C4' energy: -166.953 flat angles C4'-P-C4' energy: -186.075 flat angles P-C4'-P energy: -136.976 tors. eta vs tors. theta energy: -222.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2424.266773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.266773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.266773 (E_RNA) where: Base-Base interactions energy: -1558.120 where: short stacking energy: -730.405 Base-Backbone interact. energy: -0.725 local terms energy: -865.421679 where: bonds (distance) C4'-P energy: -158.793 bonds (distance) P-C4' energy: -176.428 flat angles C4'-P-C4' energy: -196.252 flat angles P-C4'-P energy: -136.984 tors. eta vs tors. theta energy: -196.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2382.156344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.156344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.156344 (E_RNA) where: Base-Base interactions energy: -1579.941 where: short stacking energy: -698.836 Base-Backbone interact. energy: -4.912 local terms energy: -797.303544 where: bonds (distance) C4'-P energy: -169.934 bonds (distance) P-C4' energy: -147.121 flat angles C4'-P-C4' energy: -183.366 flat angles P-C4'-P energy: -108.243 tors. eta vs tors. theta energy: -188.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2189.736426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.736426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.736426 (E_RNA) where: Base-Base interactions energy: -1454.167 where: short stacking energy: -633.451 Base-Backbone interact. energy: -2.097 local terms energy: -733.473157 where: bonds (distance) C4'-P energy: -148.405 bonds (distance) P-C4' energy: -140.761 flat angles C4'-P-C4' energy: -163.149 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -174.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1756.071112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.071112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.071112 (E_RNA) where: Base-Base interactions energy: -1119.464 where: short stacking energy: -477.304 Base-Backbone interact. energy: -5.514 local terms energy: -631.093051 where: bonds (distance) C4'-P energy: -148.519 bonds (distance) P-C4' energy: -159.164 flat angles C4'-P-C4' energy: -152.136 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -90.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1375.326635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.326635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.326635 (E_RNA) where: Base-Base interactions energy: -774.739 where: short stacking energy: -373.387 Base-Backbone interact. energy: 1.844 local terms energy: -602.431634 where: bonds (distance) C4'-P energy: -151.292 bonds (distance) P-C4' energy: -180.519 flat angles C4'-P-C4' energy: -142.626 flat angles P-C4'-P energy: -90.949 tors. eta vs tors. theta energy: -37.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -972.045122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.045122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.045122 (E_RNA) where: Base-Base interactions energy: -475.100 where: short stacking energy: -245.653 Base-Backbone interact. energy: 0.309 local terms energy: -497.253919 where: bonds (distance) C4'-P energy: -148.125 bonds (distance) P-C4' energy: -157.003 flat angles C4'-P-C4' energy: -126.098 flat angles P-C4'-P energy: -65.175 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -706.237703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.237703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.237703 (E_RNA) where: Base-Base interactions energy: -269.696 where: short stacking energy: -206.006 Base-Backbone interact. energy: 3.996 local terms energy: -440.537627 where: bonds (distance) C4'-P energy: -130.292 bonds (distance) P-C4' energy: -131.089 flat angles C4'-P-C4' energy: -147.722 flat angles P-C4'-P energy: -68.732 tors. eta vs tors. theta energy: 37.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3008.291999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.291999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.291999 (E_RNA) where: Base-Base interactions energy: -2052.099 where: short stacking energy: -864.969 Base-Backbone interact. energy: -3.492 local terms energy: -952.700397 where: bonds (distance) C4'-P energy: -185.504 bonds (distance) P-C4' energy: -191.353 flat angles C4'-P-C4' energy: -198.887 flat angles P-C4'-P energy: -123.145 tors. eta vs tors. theta energy: -253.812 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: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2844.261459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.261459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.261459 (E_RNA) where: Base-Base interactions energy: -1949.773 where: short stacking energy: -823.918 Base-Backbone interact. energy: 4.586 local terms energy: -899.074437 where: bonds (distance) C4'-P energy: -175.137 bonds (distance) P-C4' energy: -167.092 flat angles C4'-P-C4' energy: -199.234 flat angles P-C4'-P energy: -134.816 tors. eta vs tors. theta energy: -222.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2639.930475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.930475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.930475 (E_RNA) where: Base-Base interactions energy: -1739.480 where: short stacking energy: -794.019 Base-Backbone interact. energy: -3.034 local terms energy: -897.416147 where: bonds (distance) C4'-P energy: -184.080 bonds (distance) P-C4' energy: -172.131 flat angles C4'-P-C4' energy: -189.799 flat angles P-C4'-P energy: -123.482 tors. eta vs tors. theta energy: -227.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2501.059426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.059426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.059426 (E_RNA) where: Base-Base interactions energy: -1631.260 where: short stacking energy: -766.209 Base-Backbone interact. energy: 1.931 local terms energy: -871.731042 where: bonds (distance) C4'-P energy: -175.847 bonds (distance) P-C4' energy: -157.974 flat angles C4'-P-C4' energy: -191.736 flat angles P-C4'-P energy: -127.050 tors. eta vs tors. theta energy: -219.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2353.841627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.841627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.841627 (E_RNA) where: Base-Base interactions energy: -1530.474 where: short stacking energy: -737.684 Base-Backbone interact. energy: -0.204 local terms energy: -823.163619 where: bonds (distance) C4'-P energy: -165.348 bonds (distance) P-C4' energy: -166.470 flat angles C4'-P-C4' energy: -172.103 flat angles P-C4'-P energy: -122.441 tors. eta vs tors. theta energy: -196.801 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: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2207.093676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.093676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.093676 (E_RNA) where: Base-Base interactions energy: -1427.752 where: short stacking energy: -648.419 Base-Backbone interact. energy: -3.321 local terms energy: -776.021027 where: bonds (distance) C4'-P energy: -149.144 bonds (distance) P-C4' energy: -164.964 flat angles C4'-P-C4' energy: -176.062 flat angles P-C4'-P energy: -101.870 tors. eta vs tors. theta energy: -183.981 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: 167 Temperature: 1.200000 Total energy: -1714.625106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.625106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.625106 (E_RNA) where: Base-Base interactions energy: -1079.958 where: short stacking energy: -490.715 Base-Backbone interact. energy: 2.515 local terms energy: -637.182183 where: bonds (distance) C4'-P energy: -154.804 bonds (distance) P-C4' energy: -124.909 flat angles C4'-P-C4' energy: -165.538 flat angles P-C4'-P energy: -86.296 tors. eta vs tors. theta energy: -105.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1496.049060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.049060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.049060 (E_RNA) where: Base-Base interactions energy: -842.308 where: short stacking energy: -392.854 Base-Backbone interact. energy: -5.061 local terms energy: -648.679502 where: bonds (distance) C4'-P energy: -152.993 bonds (distance) P-C4' energy: -174.315 flat angles C4'-P-C4' energy: -149.008 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -72.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -908.761587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.761587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.761587 (E_RNA) where: Base-Base interactions energy: -442.094 where: short stacking energy: -288.893 Base-Backbone interact. energy: 7.669 local terms energy: -474.337393 where: bonds (distance) C4'-P energy: -122.411 bonds (distance) P-C4' energy: -146.239 flat angles C4'-P-C4' energy: -125.567 flat angles P-C4'-P energy: -91.464 tors. eta vs tors. theta energy: 11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -697.161856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.161856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.161856 (E_RNA) where: Base-Base interactions energy: -257.576 where: short stacking energy: -181.513 Base-Backbone interact. energy: 0.972 local terms energy: -440.557881 where: bonds (distance) C4'-P energy: -140.948 bonds (distance) P-C4' energy: -148.644 flat angles C4'-P-C4' energy: -120.447 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: 28.846 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: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3018.537749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.537749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.537749 (E_RNA) where: Base-Base interactions energy: -2078.848 where: short stacking energy: -883.350 Base-Backbone interact. energy: -6.942 local terms energy: -932.748106 where: bonds (distance) C4'-P energy: -157.818 bonds (distance) P-C4' energy: -191.145 flat angles C4'-P-C4' energy: -187.876 flat angles P-C4'-P energy: -141.484 tors. eta vs tors. theta energy: -254.425 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: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2915.008207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.008207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.008207 (E_RNA) where: Base-Base interactions energy: -1985.294 where: short stacking energy: -857.107 Base-Backbone interact. energy: -5.362 local terms energy: -924.352264 where: bonds (distance) C4'-P energy: -175.138 bonds (distance) P-C4' energy: -170.030 flat angles C4'-P-C4' energy: -203.682 flat angles P-C4'-P energy: -128.066 tors. eta vs tors. theta energy: -247.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2609.600284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.600284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.600284 (E_RNA) where: Base-Base interactions energy: -1761.394 where: short stacking energy: -758.332 Base-Backbone interact. energy: 2.359 local terms energy: -850.565994 where: bonds (distance) C4'-P energy: -174.930 bonds (distance) P-C4' energy: -159.387 flat angles C4'-P-C4' energy: -186.375 flat angles P-C4'-P energy: -124.860 tors. eta vs tors. theta energy: -205.014 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: 168 Temperature: 1.050000 Total energy: -2452.756879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.756879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.756879 (E_RNA) where: Base-Base interactions energy: -1600.841 where: short stacking energy: -720.847 Base-Backbone interact. energy: 1.077 local terms energy: -852.992898 where: bonds (distance) C4'-P energy: -158.405 bonds (distance) P-C4' energy: -176.710 flat angles C4'-P-C4' energy: -200.063 flat angles P-C4'-P energy: -119.935 tors. eta vs tors. theta energy: -197.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2328.192324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.192324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.192324 (E_RNA) where: Base-Base interactions energy: -1482.012 where: short stacking energy: -690.423 Base-Backbone interact. energy: -2.472 local terms energy: -843.707427 where: bonds (distance) C4'-P energy: -161.089 bonds (distance) P-C4' energy: -178.823 flat angles C4'-P-C4' energy: -190.116 flat angles P-C4'-P energy: -120.165 tors. eta vs tors. theta energy: -193.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2107.460904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.460904 (E_RNA) where: Base-Base interactions energy: -1355.050 where: short stacking energy: -594.635 Base-Backbone interact. energy: 1.884 local terms energy: -754.294842 where: bonds (distance) C4'-P energy: -161.862 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -173.762 flat angles P-C4'-P energy: -99.633 tors. eta vs tors. theta energy: -157.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1678.816057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.816057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.816057 (E_RNA) where: Base-Base interactions energy: -1038.551 where: short stacking energy: -492.187 Base-Backbone interact. energy: 1.674 local terms energy: -641.938705 where: bonds (distance) C4'-P energy: -145.258 bonds (distance) P-C4' energy: -165.660 flat angles C4'-P-C4' energy: -159.575 flat angles P-C4'-P energy: -81.593 tors. eta vs tors. theta energy: -89.852 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: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1415.245687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.245687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.245687 (E_RNA) where: Base-Base interactions energy: -836.329 where: short stacking energy: -390.327 Base-Backbone interact. energy: -2.975 local terms energy: -575.942515 where: bonds (distance) C4'-P energy: -126.130 bonds (distance) P-C4' energy: -154.520 flat angles C4'-P-C4' energy: -149.958 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -54.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -896.772449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.772449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.772449 (E_RNA) where: Base-Base interactions energy: -364.531 where: short stacking energy: -258.740 Base-Backbone interact. energy: 5.947 local terms energy: -538.188475 where: bonds (distance) C4'-P energy: -162.928 bonds (distance) P-C4' energy: -177.119 flat angles C4'-P-C4' energy: -146.183 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: 14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -666.553559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.553559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.553559 (E_RNA) where: Base-Base interactions energy: -259.138 where: short stacking energy: -171.523 Base-Backbone interact. energy: 1.157 local terms energy: -408.573086 where: bonds (distance) C4'-P energy: -145.490 bonds (distance) P-C4' energy: -142.012 flat angles C4'-P-C4' energy: -126.276 flat angles P-C4'-P energy: -49.891 tors. eta vs tors. theta energy: 55.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3024.568721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.568721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.568721 (E_RNA) where: Base-Base interactions energy: -2078.730 where: short stacking energy: -874.695 Base-Backbone interact. energy: -0.503 local terms energy: -945.335230 where: bonds (distance) C4'-P energy: -163.153 bonds (distance) P-C4' energy: -183.042 flat angles C4'-P-C4' energy: -200.428 flat angles P-C4'-P energy: -139.808 tors. eta vs tors. theta energy: -258.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2871.500843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.500843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.500843 (E_RNA) where: Base-Base interactions energy: -1951.398 where: short stacking energy: -832.897 Base-Backbone interact. energy: -1.862 local terms energy: -918.241638 where: bonds (distance) C4'-P energy: -160.504 bonds (distance) P-C4' energy: -167.937 flat angles C4'-P-C4' energy: -215.183 flat angles P-C4'-P energy: -140.628 tors. eta vs tors. theta energy: -233.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2622.020167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.020167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.020167 (E_RNA) where: Base-Base interactions energy: -1750.790 where: short stacking energy: -786.271 Base-Backbone interact. energy: 4.411 local terms energy: -875.641368 where: bonds (distance) C4'-P energy: -176.358 bonds (distance) P-C4' energy: -172.063 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -112.086 tors. eta vs tors. theta energy: -236.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2495.358783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.358783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.358783 (E_RNA) where: Base-Base interactions energy: -1628.604 where: short stacking energy: -738.885 Base-Backbone interact. energy: -0.095 local terms energy: -866.660087 where: bonds (distance) C4'-P energy: -164.098 bonds (distance) P-C4' energy: -180.388 flat angles C4'-P-C4' energy: -187.612 flat angles P-C4'-P energy: -132.643 tors. eta vs tors. theta energy: -201.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2342.565099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.565099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.565099 (E_RNA) where: Base-Base interactions energy: -1535.061 where: short stacking energy: -710.938 Base-Backbone interact. energy: -3.803 local terms energy: -803.701036 where: bonds (distance) C4'-P energy: -178.482 bonds (distance) P-C4' energy: -166.298 flat angles C4'-P-C4' energy: -168.098 flat angles P-C4'-P energy: -95.432 tors. eta vs tors. theta energy: -195.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2179.938510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.938510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.938510 (E_RNA) where: Base-Base interactions energy: -1439.681 where: short stacking energy: -649.988 Base-Backbone interact. energy: 3.020 local terms energy: -743.277043 where: bonds (distance) C4'-P energy: -164.060 bonds (distance) P-C4' energy: -161.214 flat angles C4'-P-C4' energy: -167.403 flat angles P-C4'-P energy: -78.845 tors. eta vs tors. theta energy: -171.756 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: 169 Temperature: 1.200000 Total energy: -1652.997928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.997928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.997928 (E_RNA) where: Base-Base interactions energy: -999.684 where: short stacking energy: -453.073 Base-Backbone interact. energy: -0.322 local terms energy: -652.992308 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -179.777 flat angles C4'-P-C4' energy: -147.551 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -92.719 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: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1420.899996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.899996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.899996 (E_RNA) where: Base-Base interactions energy: -823.317 where: short stacking energy: -390.964 Base-Backbone interact. energy: 2.516 local terms energy: -600.099180 where: bonds (distance) C4'-P energy: -148.681 bonds (distance) P-C4' energy: -168.733 flat angles C4'-P-C4' energy: -131.978 flat angles P-C4'-P energy: -102.599 tors. eta vs tors. theta energy: -48.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -889.462923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.462923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.462923 (E_RNA) where: Base-Base interactions energy: -430.175 where: short stacking energy: -256.612 Base-Backbone interact. energy: -5.135 local terms energy: -454.152607 where: bonds (distance) C4'-P energy: -126.490 bonds (distance) P-C4' energy: -151.650 flat angles C4'-P-C4' energy: -112.976 flat angles P-C4'-P energy: -78.650 tors. eta vs tors. theta energy: 15.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -671.204001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.204001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.204001 (E_RNA) where: Base-Base interactions energy: -223.774 where: short stacking energy: -169.550 Base-Backbone interact. energy: -0.095 local terms energy: -447.334594 where: bonds (distance) C4'-P energy: -140.897 bonds (distance) P-C4' energy: -160.530 flat angles C4'-P-C4' energy: -143.504 flat angles P-C4'-P energy: -35.109 tors. eta vs tors. theta energy: 32.705 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: 170 Temperature: 0.900000 Total energy: -3027.747401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.747401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.747401 (E_RNA) where: Base-Base interactions energy: -2094.109 where: short stacking energy: -909.860 Base-Backbone interact. energy: 0.418 local terms energy: -934.056470 where: bonds (distance) C4'-P energy: -164.424 bonds (distance) P-C4' energy: -189.753 flat angles C4'-P-C4' energy: -202.061 flat angles P-C4'-P energy: -134.299 tors. eta vs tors. theta energy: -243.520 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: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2872.085522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.085522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.085522 (E_RNA) where: Base-Base interactions energy: -1962.905 where: short stacking energy: -822.304 Base-Backbone interact. energy: 0.312 local terms energy: -909.491895 where: bonds (distance) C4'-P energy: -183.195 bonds (distance) P-C4' energy: -170.217 flat angles C4'-P-C4' energy: -194.853 flat angles P-C4'-P energy: -126.741 tors. eta vs tors. theta energy: -234.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2661.929655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.929655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.929655 (E_RNA) where: Base-Base interactions energy: -1780.713 where: short stacking energy: -760.728 Base-Backbone interact. energy: -3.701 local terms energy: -877.515229 where: bonds (distance) C4'-P energy: -182.869 bonds (distance) P-C4' energy: -173.210 flat angles C4'-P-C4' energy: -179.171 flat angles P-C4'-P energy: -127.442 tors. eta vs tors. theta energy: -214.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2492.961779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.961779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.961779 (E_RNA) where: Base-Base interactions energy: -1645.063 where: short stacking energy: -730.167 Base-Backbone interact. energy: 4.272 local terms energy: -852.170427 where: bonds (distance) C4'-P energy: -174.504 bonds (distance) P-C4' energy: -185.562 flat angles C4'-P-C4' energy: -176.278 flat angles P-C4'-P energy: -119.453 tors. eta vs tors. theta energy: -196.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2319.195510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.195510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.195510 (E_RNA) where: Base-Base interactions energy: -1545.364 where: short stacking energy: -661.158 Base-Backbone interact. energy: -1.859 local terms energy: -771.972760 where: bonds (distance) C4'-P energy: -165.660 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -173.642 flat angles P-C4'-P energy: -118.935 tors. eta vs tors. theta energy: -174.694 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: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2146.330145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.330145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.330145 (E_RNA) where: Base-Base interactions energy: -1389.386 where: short stacking energy: -632.099 Base-Backbone interact. energy: 2.702 local terms energy: -759.646613 where: bonds (distance) C4'-P energy: -136.193 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -182.990 flat angles P-C4'-P energy: -125.679 tors. eta vs tors. theta energy: -167.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1750.544030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.544030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.544030 (E_RNA) where: Base-Base interactions energy: -1087.523 where: short stacking energy: -503.055 Base-Backbone interact. energy: 2.989 local terms energy: -666.010147 where: bonds (distance) C4'-P energy: -155.616 bonds (distance) P-C4' energy: -169.472 flat angles C4'-P-C4' energy: -166.650 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -99.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1398.988386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.988386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.988386 (E_RNA) where: Base-Base interactions energy: -822.012 where: short stacking energy: -415.857 Base-Backbone interact. energy: 5.034 local terms energy: -582.010661 where: bonds (distance) C4'-P energy: -151.004 bonds (distance) P-C4' energy: -154.166 flat angles C4'-P-C4' energy: -142.319 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -53.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -930.806101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.806101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.806101 (E_RNA) where: Base-Base interactions energy: -454.995 where: short stacking energy: -264.520 Base-Backbone interact. energy: 0.434 local terms energy: -476.245234 where: bonds (distance) C4'-P energy: -136.661 bonds (distance) P-C4' energy: -164.848 flat angles C4'-P-C4' energy: -110.475 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: 17.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -678.070717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.070717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.070717 (E_RNA) where: Base-Base interactions energy: -237.287 where: short stacking energy: -202.520 Base-Backbone interact. energy: 3.955 local terms energy: -444.738867 where: bonds (distance) C4'-P energy: -161.658 bonds (distance) P-C4' energy: -137.830 flat angles C4'-P-C4' energy: -115.109 flat angles P-C4'-P energy: -58.601 tors. eta vs tors. theta energy: 28.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3015.973878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.973878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.973878 (E_RNA) where: Base-Base interactions energy: -2041.207 where: short stacking energy: -831.585 Base-Backbone interact. energy: -6.716 local terms energy: -968.050581 where: bonds (distance) C4'-P energy: -185.001 bonds (distance) P-C4' energy: -196.486 flat angles C4'-P-C4' energy: -202.524 flat angles P-C4'-P energy: -147.878 tors. eta vs tors. theta energy: -236.162 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: 171 Temperature: 0.950000 Total energy: -2915.294716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.294716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.294716 (E_RNA) where: Base-Base interactions energy: -1978.032 where: short stacking energy: -824.037 Base-Backbone interact. energy: -1.948 local terms energy: -935.314964 where: bonds (distance) C4'-P energy: -167.573 bonds (distance) P-C4' energy: -187.145 flat angles C4'-P-C4' energy: -202.411 flat angles P-C4'-P energy: -138.477 tors. eta vs tors. theta energy: -239.710 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: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2648.923832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.923832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.923832 (E_RNA) where: Base-Base interactions energy: -1766.006 where: short stacking energy: -760.957 Base-Backbone interact. energy: 0.269 local terms energy: -883.186395 where: bonds (distance) C4'-P energy: -167.148 bonds (distance) P-C4' energy: -181.535 flat angles C4'-P-C4' energy: -195.474 flat angles P-C4'-P energy: -125.109 tors. eta vs tors. theta energy: -213.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2523.612872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.612872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.612872 (E_RNA) where: Base-Base interactions energy: -1694.847 where: short stacking energy: -764.935 Base-Backbone interact. energy: -2.885 local terms energy: -825.880897 where: bonds (distance) C4'-P energy: -143.660 bonds (distance) P-C4' energy: -152.950 flat angles C4'-P-C4' energy: -200.021 flat angles P-C4'-P energy: -133.084 tors. eta vs tors. theta energy: -196.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2348.367236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.367236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.367236 (E_RNA) where: Base-Base interactions energy: -1571.088 where: short stacking energy: -695.914 Base-Backbone interact. energy: 0.429 local terms energy: -777.708265 where: bonds (distance) C4'-P energy: -137.154 bonds (distance) P-C4' energy: -171.143 flat angles C4'-P-C4' energy: -178.298 flat angles P-C4'-P energy: -107.967 tors. eta vs tors. theta energy: -183.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2116.265929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.265929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.265929 (E_RNA) where: Base-Base interactions energy: -1388.022 where: short stacking energy: -619.375 Base-Backbone interact. energy: 0.042 local terms energy: -728.285108 where: bonds (distance) C4'-P energy: -152.354 bonds (distance) P-C4' energy: -137.940 flat angles C4'-P-C4' energy: -165.647 flat angles P-C4'-P energy: -110.220 tors. eta vs tors. theta energy: -162.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1718.251451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.251451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.251451 (E_RNA) where: Base-Base interactions energy: -1076.638 where: short stacking energy: -491.583 Base-Backbone interact. energy: 0.862 local terms energy: -642.475404 where: bonds (distance) C4'-P energy: -149.347 bonds (distance) P-C4' energy: -151.616 flat angles C4'-P-C4' energy: -142.399 flat angles P-C4'-P energy: -97.259 tors. eta vs tors. theta energy: -101.854 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: 3 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1374.926175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.926175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.926175 (E_RNA) where: Base-Base interactions energy: -802.690 where: short stacking energy: -387.664 Base-Backbone interact. energy: 0.219 local terms energy: -572.455627 where: bonds (distance) C4'-P energy: -161.280 bonds (distance) P-C4' energy: -167.720 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -60.597 tors. eta vs tors. theta energy: -42.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -932.135230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.135230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.135230 (E_RNA) where: Base-Base interactions energy: -439.523 where: short stacking energy: -278.924 Base-Backbone interact. energy: -0.160 local terms energy: -492.452428 where: bonds (distance) C4'-P energy: -143.529 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -135.829 flat angles P-C4'-P energy: -68.090 tors. eta vs tors. theta energy: 10.029 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: 171 Temperature: 1.350000 Total energy: -687.463282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.463282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.463282 (E_RNA) where: Base-Base interactions energy: -239.977 where: short stacking energy: -194.847 Base-Backbone interact. energy: 1.862 local terms energy: -449.348226 where: bonds (distance) C4'-P energy: -142.290 bonds (distance) P-C4' energy: -153.525 flat angles C4'-P-C4' energy: -105.521 flat angles P-C4'-P energy: -81.206 tors. eta vs tors. theta energy: 33.194 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: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3028.128510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.128510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.128510 (E_RNA) where: Base-Base interactions energy: -2071.825 where: short stacking energy: -857.146 Base-Backbone interact. energy: -3.327 local terms energy: -952.976236 where: bonds (distance) C4'-P energy: -163.124 bonds (distance) P-C4' energy: -184.811 flat angles C4'-P-C4' energy: -217.542 flat angles P-C4'-P energy: -134.886 tors. eta vs tors. theta energy: -252.613 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: 172 Temperature: 0.950000 Total energy: -2867.247455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.247455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.247455 (E_RNA) where: Base-Base interactions energy: -1959.885 where: short stacking energy: -830.914 Base-Backbone interact. energy: -4.393 local terms energy: -902.969143 where: bonds (distance) C4'-P energy: -183.276 bonds (distance) P-C4' energy: -168.218 flat angles C4'-P-C4' energy: -194.511 flat angles P-C4'-P energy: -141.081 tors. eta vs tors. theta energy: -215.882 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: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2652.877715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.877715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.877715 (E_RNA) where: Base-Base interactions energy: -1765.086 where: short stacking energy: -753.611 Base-Backbone interact. energy: 3.394 local terms energy: -891.186180 where: bonds (distance) C4'-P energy: -179.728 bonds (distance) P-C4' energy: -186.059 flat angles C4'-P-C4' energy: -193.207 flat angles P-C4'-P energy: -124.073 tors. eta vs tors. theta energy: -208.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2495.099894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.099894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.099894 (E_RNA) where: Base-Base interactions energy: -1685.539 where: short stacking energy: -732.676 Base-Backbone interact. energy: -0.213 local terms energy: -809.347736 where: bonds (distance) C4'-P energy: -160.670 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -186.667 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -203.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2322.550844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.550844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.550844 (E_RNA) where: Base-Base interactions energy: -1520.042 where: short stacking energy: -667.438 Base-Backbone interact. energy: -0.326 local terms energy: -802.182477 where: bonds (distance) C4'-P energy: -146.503 bonds (distance) P-C4' energy: -169.776 flat angles C4'-P-C4' energy: -176.222 flat angles P-C4'-P energy: -123.465 tors. eta vs tors. theta energy: -186.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2107.052479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.052479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.052479 (E_RNA) where: Base-Base interactions energy: -1361.751 where: short stacking energy: -644.778 Base-Backbone interact. energy: 0.291 local terms energy: -745.591720 where: bonds (distance) C4'-P energy: -158.702 bonds (distance) P-C4' energy: -155.240 flat angles C4'-P-C4' energy: -173.258 flat angles P-C4'-P energy: -101.968 tors. eta vs tors. theta energy: -156.424 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: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1698.178880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.178880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.178880 (E_RNA) where: Base-Base interactions energy: -1035.020 where: short stacking energy: -479.349 Base-Backbone interact. energy: -0.520 local terms energy: -662.639264 where: bonds (distance) C4'-P energy: -148.639 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -161.453 flat angles P-C4'-P energy: -97.725 tors. eta vs tors. theta energy: -104.045 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: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1515.316167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.316167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.316167 (E_RNA) where: Base-Base interactions energy: -902.858 where: short stacking energy: -414.837 Base-Backbone interact. energy: -0.732 local terms energy: -611.726339 where: bonds (distance) C4'-P energy: -153.160 bonds (distance) P-C4' energy: -161.825 flat angles C4'-P-C4' energy: -161.577 flat angles P-C4'-P energy: -80.963 tors. eta vs tors. theta energy: -54.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -939.867597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.867597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.867597 (E_RNA) where: Base-Base interactions energy: -414.720 where: short stacking energy: -239.544 Base-Backbone interact. energy: 1.966 local terms energy: -527.114313 where: bonds (distance) C4'-P energy: -162.813 bonds (distance) P-C4' energy: -161.038 flat angles C4'-P-C4' energy: -147.927 flat angles P-C4'-P energy: -43.967 tors. eta vs tors. theta energy: -11.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -720.786251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.786251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.786251 (E_RNA) where: Base-Base interactions energy: -250.625 where: short stacking energy: -194.495 Base-Backbone interact. energy: 2.588 local terms energy: -472.749332 where: bonds (distance) C4'-P energy: -153.957 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -122.739 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: 46.668 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: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3024.318225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.318225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.318225 (E_RNA) where: Base-Base interactions energy: -2071.810 where: short stacking energy: -895.163 Base-Backbone interact. energy: 0.225 local terms energy: -952.733936 where: bonds (distance) C4'-P energy: -177.946 bonds (distance) P-C4' energy: -173.639 flat angles C4'-P-C4' energy: -208.739 flat angles P-C4'-P energy: -132.296 tors. eta vs tors. theta energy: -260.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2862.734179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.734179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.734179 (E_RNA) where: Base-Base interactions energy: -1941.947 where: short stacking energy: -825.543 Base-Backbone interact. energy: -1.836 local terms energy: -918.951438 where: bonds (distance) C4'-P energy: -178.750 bonds (distance) P-C4' energy: -186.833 flat angles C4'-P-C4' energy: -198.124 flat angles P-C4'-P energy: -126.089 tors. eta vs tors. theta energy: -229.156 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: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2625.422327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.422327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.422327 (E_RNA) where: Base-Base interactions energy: -1771.190 where: short stacking energy: -777.541 Base-Backbone interact. energy: 3.246 local terms energy: -857.478043 where: bonds (distance) C4'-P energy: -166.106 bonds (distance) P-C4' energy: -187.861 flat angles C4'-P-C4' energy: -169.459 flat angles P-C4'-P energy: -121.519 tors. eta vs tors. theta energy: -212.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2483.870869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.870869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.870869 (E_RNA) where: Base-Base interactions energy: -1654.118 where: short stacking energy: -703.758 Base-Backbone interact. energy: 1.133 local terms energy: -830.885179 where: bonds (distance) C4'-P energy: -170.249 bonds (distance) P-C4' energy: -168.029 flat angles C4'-P-C4' energy: -177.733 flat angles P-C4'-P energy: -122.759 tors. eta vs tors. theta energy: -192.114 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: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2301.127640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.127640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.127640 (E_RNA) where: Base-Base interactions energy: -1499.054 where: short stacking energy: -645.294 Base-Backbone interact. energy: 3.825 local terms energy: -805.898927 where: bonds (distance) C4'-P energy: -142.587 bonds (distance) P-C4' energy: -177.090 flat angles C4'-P-C4' energy: -180.708 flat angles P-C4'-P energy: -124.288 tors. eta vs tors. theta energy: -181.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2042.512809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.512809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.512809 (E_RNA) where: Base-Base interactions energy: -1308.411 where: short stacking energy: -594.905 Base-Backbone interact. energy: -2.959 local terms energy: -731.142614 where: bonds (distance) C4'-P energy: -153.681 bonds (distance) P-C4' energy: -142.724 flat angles C4'-P-C4' energy: -174.298 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -158.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1760.281768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.281768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.281768 (E_RNA) where: Base-Base interactions energy: -1080.230 where: short stacking energy: -488.682 Base-Backbone interact. energy: -0.494 local terms energy: -679.557124 where: bonds (distance) C4'-P energy: -143.999 bonds (distance) P-C4' energy: -164.098 flat angles C4'-P-C4' energy: -173.910 flat angles P-C4'-P energy: -89.480 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: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1448.671668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.671668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.671668 (E_RNA) where: Base-Base interactions energy: -866.209 where: short stacking energy: -416.791 Base-Backbone interact. energy: 4.014 local terms energy: -586.477352 where: bonds (distance) C4'-P energy: -132.629 bonds (distance) P-C4' energy: -157.722 flat angles C4'-P-C4' energy: -158.082 flat angles P-C4'-P energy: -92.340 tors. eta vs tors. theta energy: -45.704 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: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -959.114577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.114577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.114577 (E_RNA) where: Base-Base interactions energy: -428.638 where: short stacking energy: -247.108 Base-Backbone interact. energy: 0.368 local terms energy: -530.844566 where: bonds (distance) C4'-P energy: -135.486 bonds (distance) P-C4' energy: -166.539 flat angles C4'-P-C4' energy: -121.628 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -26.187 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: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -679.332323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.332323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.332323 (E_RNA) where: Base-Base interactions energy: -232.988 where: short stacking energy: -195.750 Base-Backbone interact. energy: -0.916 local terms energy: -445.427678 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -143.789 flat angles C4'-P-C4' energy: -118.561 flat angles P-C4'-P energy: -65.044 tors. eta vs tors. theta energy: 33.175 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: 174 Temperature: 0.900000 Total energy: -3065.596170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.596170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.596170 (E_RNA) where: Base-Base interactions energy: -2108.822 where: short stacking energy: -881.737 Base-Backbone interact. energy: -9.550 local terms energy: -947.224387 where: bonds (distance) C4'-P energy: -169.034 bonds (distance) P-C4' energy: -191.683 flat angles C4'-P-C4' energy: -208.859 flat angles P-C4'-P energy: -129.621 tors. eta vs tors. theta energy: -248.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2886.582809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.582809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.582809 (E_RNA) where: Base-Base interactions energy: -1964.459 where: short stacking energy: -833.386 Base-Backbone interact. energy: -1.175 local terms energy: -920.948783 where: bonds (distance) C4'-P energy: -174.426 bonds (distance) P-C4' energy: -165.111 flat angles C4'-P-C4' energy: -210.311 flat angles P-C4'-P energy: -128.680 tors. eta vs tors. theta energy: -242.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2629.476098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.476098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.476098 (E_RNA) where: Base-Base interactions energy: -1779.246 where: short stacking energy: -745.951 Base-Backbone interact. energy: -2.456 local terms energy: -847.774683 where: bonds (distance) C4'-P energy: -178.604 bonds (distance) P-C4' energy: -175.915 flat angles C4'-P-C4' energy: -159.262 flat angles P-C4'-P energy: -129.545 tors. eta vs tors. theta energy: -204.449 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: 4, replica: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2519.833448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.833448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.833448 (E_RNA) where: Base-Base interactions energy: -1668.922 where: short stacking energy: -763.721 Base-Backbone interact. energy: -2.922 local terms energy: -847.989513 where: bonds (distance) C4'-P energy: -170.754 bonds (distance) P-C4' energy: -181.047 flat angles C4'-P-C4' energy: -173.011 flat angles P-C4'-P energy: -113.032 tors. eta vs tors. theta energy: -210.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2345.255392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.255392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.255392 (E_RNA) where: Base-Base interactions energy: -1526.749 where: short stacking energy: -683.451 Base-Backbone interact. energy: -0.514 local terms energy: -817.992450 where: bonds (distance) C4'-P energy: -157.066 bonds (distance) P-C4' energy: -168.630 flat angles C4'-P-C4' energy: -181.226 flat angles P-C4'-P energy: -126.081 tors. eta vs tors. theta energy: -184.989 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: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2094.160329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.160329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.160329 (E_RNA) where: Base-Base interactions energy: -1345.208 where: short stacking energy: -617.308 Base-Backbone interact. energy: -2.261 local terms energy: -746.691245 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -166.159 flat angles C4'-P-C4' energy: -173.497 flat angles P-C4'-P energy: -100.814 tors. eta vs tors. theta energy: -150.600 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: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1851.461249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.461249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.461249 (E_RNA) where: Base-Base interactions energy: -1168.163 where: short stacking energy: -548.200 Base-Backbone interact. energy: -0.352 local terms energy: -682.946212 where: bonds (distance) C4'-P energy: -167.716 bonds (distance) P-C4' energy: -165.147 flat angles C4'-P-C4' energy: -170.028 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -103.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1494.318289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.318289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.318289 (E_RNA) where: Base-Base interactions energy: -908.880 where: short stacking energy: -412.877 Base-Backbone interact. energy: 6.610 local terms energy: -592.048108 where: bonds (distance) C4'-P energy: -147.983 bonds (distance) P-C4' energy: -151.382 flat angles C4'-P-C4' energy: -154.894 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -31.490 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: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -879.016187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.016187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.016187 (E_RNA) where: Base-Base interactions energy: -387.557 where: short stacking energy: -203.052 Base-Backbone interact. energy: 2.290 local terms energy: -493.749452 where: bonds (distance) C4'-P energy: -156.702 bonds (distance) P-C4' energy: -144.299 flat angles C4'-P-C4' energy: -136.965 flat angles P-C4'-P energy: -83.292 tors. eta vs tors. theta energy: 27.509 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: 10, replica: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -773.364824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.364824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.364824 (E_RNA) where: Base-Base interactions energy: -327.594 where: short stacking energy: -240.259 Base-Backbone interact. energy: -0.344 local terms energy: -445.426932 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -161.921 flat angles C4'-P-C4' energy: -104.856 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: 20.118 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: 175 Temperature: 0.900000 Total energy: -3049.531673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.531673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.531673 (E_RNA) where: Base-Base interactions energy: -2093.543 where: short stacking energy: -862.783 Base-Backbone interact. energy: -2.532 local terms energy: -953.456223 where: bonds (distance) C4'-P energy: -188.939 bonds (distance) P-C4' energy: -183.222 flat angles C4'-P-C4' energy: -199.359 flat angles P-C4'-P energy: -141.143 tors. eta vs tors. theta energy: -240.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2864.758646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.758646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.758646 (E_RNA) where: Base-Base interactions energy: -1935.030 where: short stacking energy: -824.408 Base-Backbone interact. energy: -4.608 local terms energy: -925.120978 where: bonds (distance) C4'-P energy: -187.667 bonds (distance) P-C4' energy: -181.537 flat angles C4'-P-C4' energy: -191.758 flat angles P-C4'-P energy: -129.988 tors. eta vs tors. theta energy: -234.171 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: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2636.108160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.108160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.108160 (E_RNA) where: Base-Base interactions energy: -1754.365 where: short stacking energy: -747.780 Base-Backbone interact. energy: -1.645 local terms energy: -880.097877 where: bonds (distance) C4'-P energy: -181.803 bonds (distance) P-C4' energy: -189.109 flat angles C4'-P-C4' energy: -181.373 flat angles P-C4'-P energy: -119.452 tors. eta vs tors. theta energy: -208.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2491.306512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.306512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.306512 (E_RNA) where: Base-Base interactions energy: -1691.821 where: short stacking energy: -726.734 Base-Backbone interact. energy: -4.263 local terms energy: -795.221756 where: bonds (distance) C4'-P energy: -154.252 bonds (distance) P-C4' energy: -157.489 flat angles C4'-P-C4' energy: -184.000 flat angles P-C4'-P energy: -103.820 tors. eta vs tors. theta energy: -195.661 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: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2381.325632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.325632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.325632 (E_RNA) where: Base-Base interactions energy: -1578.667 where: short stacking energy: -693.059 Base-Backbone interact. energy: -3.034 local terms energy: -799.624371 where: bonds (distance) C4'-P energy: -151.070 bonds (distance) P-C4' energy: -170.789 flat angles C4'-P-C4' energy: -165.562 flat angles P-C4'-P energy: -123.200 tors. eta vs tors. theta energy: -189.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2013.240653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.240653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.240653 (E_RNA) where: Base-Base interactions energy: -1269.159 where: short stacking energy: -587.829 Base-Backbone interact. energy: -2.470 local terms energy: -741.612432 where: bonds (distance) C4'-P energy: -162.742 bonds (distance) P-C4' energy: -149.891 flat angles C4'-P-C4' energy: -163.090 flat angles P-C4'-P energy: -102.917 tors. eta vs tors. theta energy: -162.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1825.991728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.991728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.991728 (E_RNA) where: Base-Base interactions energy: -1162.702 where: short stacking energy: -550.318 Base-Backbone interact. energy: -0.068 local terms energy: -663.221053 where: bonds (distance) C4'-P energy: -132.096 bonds (distance) P-C4' energy: -144.599 flat angles C4'-P-C4' energy: -159.009 flat angles P-C4'-P energy: -107.965 tors. eta vs tors. theta energy: -119.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1485.538964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.538964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.538964 (E_RNA) where: Base-Base interactions energy: -914.567 where: short stacking energy: -415.519 Base-Backbone interact. energy: -2.714 local terms energy: -568.257486 where: bonds (distance) C4'-P energy: -141.018 bonds (distance) P-C4' energy: -161.081 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -79.401 tors. eta vs tors. theta energy: -55.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -873.378159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.378159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.378159 (E_RNA) where: Base-Base interactions energy: -379.090 where: short stacking energy: -207.257 Base-Backbone interact. energy: 1.307 local terms energy: -495.594692 where: bonds (distance) C4'-P energy: -130.758 bonds (distance) P-C4' energy: -167.779 flat angles C4'-P-C4' energy: -128.680 flat angles P-C4'-P energy: -75.484 tors. eta vs tors. theta energy: 7.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -753.459908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.459908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.459908 (E_RNA) where: Base-Base interactions energy: -325.477 where: short stacking energy: -241.567 Base-Backbone interact. energy: -0.782 local terms energy: -427.200897 where: bonds (distance) C4'-P energy: -130.705 bonds (distance) P-C4' energy: -132.999 flat angles C4'-P-C4' energy: -115.805 flat angles P-C4'-P energy: -61.929 tors. eta vs tors. theta energy: 14.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3090.230873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.230873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.230873 (E_RNA) where: Base-Base interactions energy: -2153.487 where: short stacking energy: -893.299 Base-Backbone interact. energy: -4.415 local terms energy: -932.328804 where: bonds (distance) C4'-P energy: -161.362 bonds (distance) P-C4' energy: -174.391 flat angles C4'-P-C4' energy: -212.935 flat angles P-C4'-P energy: -131.586 tors. eta vs tors. theta energy: -252.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2848.556363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.556363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.556363 (E_RNA) where: Base-Base interactions energy: -1927.922 where: short stacking energy: -847.162 Base-Backbone interact. energy: -5.951 local terms energy: -914.682698 where: bonds (distance) C4'-P energy: -171.260 bonds (distance) P-C4' energy: -198.508 flat angles C4'-P-C4' energy: -197.067 flat angles P-C4'-P energy: -107.708 tors. eta vs tors. theta energy: -240.140 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: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2671.688495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.688495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.688495 (E_RNA) where: Base-Base interactions energy: -1814.374 where: short stacking energy: -771.423 Base-Backbone interact. energy: -4.952 local terms energy: -852.361741 where: bonds (distance) C4'-P energy: -154.478 bonds (distance) P-C4' energy: -180.231 flat angles C4'-P-C4' energy: -192.760 flat angles P-C4'-P energy: -112.928 tors. eta vs tors. theta energy: -211.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2533.933226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.933226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.933226 (E_RNA) where: Base-Base interactions energy: -1693.378 where: short stacking energy: -730.838 Base-Backbone interact. energy: -1.196 local terms energy: -839.359292 where: bonds (distance) C4'-P energy: -159.952 bonds (distance) P-C4' energy: -165.659 flat angles C4'-P-C4' energy: -186.179 flat angles P-C4'-P energy: -121.502 tors. eta vs tors. theta energy: -206.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2378.010346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.010346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.010346 (E_RNA) where: Base-Base interactions energy: -1534.599 where: short stacking energy: -692.638 Base-Backbone interact. energy: -2.907 local terms energy: -840.504558 where: bonds (distance) C4'-P energy: -181.948 bonds (distance) P-C4' energy: -169.985 flat angles C4'-P-C4' energy: -188.984 flat angles P-C4'-P energy: -106.780 tors. eta vs tors. theta energy: -192.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2025.846416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.846416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.846416 (E_RNA) where: Base-Base interactions energy: -1310.133 where: short stacking energy: -590.330 Base-Backbone interact. energy: -2.572 local terms energy: -713.142010 where: bonds (distance) C4'-P energy: -157.907 bonds (distance) P-C4' energy: -141.193 flat angles C4'-P-C4' energy: -170.777 flat angles P-C4'-P energy: -98.588 tors. eta vs tors. theta energy: -144.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1788.754036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.754036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.754036 (E_RNA) where: Base-Base interactions energy: -1148.956 where: short stacking energy: -513.138 Base-Backbone interact. energy: -1.976 local terms energy: -637.822017 where: bonds (distance) C4'-P energy: -137.689 bonds (distance) P-C4' energy: -143.348 flat angles C4'-P-C4' energy: -160.670 flat angles P-C4'-P energy: -105.183 tors. eta vs tors. theta energy: -90.932 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: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1501.390200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.390200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.390200 (E_RNA) where: Base-Base interactions energy: -924.781 where: short stacking energy: -388.130 Base-Backbone interact. energy: -2.726 local terms energy: -573.883192 where: bonds (distance) C4'-P energy: -161.078 bonds (distance) P-C4' energy: -156.657 flat angles C4'-P-C4' energy: -155.457 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -31.893 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: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -941.961738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.961738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.961738 (E_RNA) where: Base-Base interactions energy: -419.221 where: short stacking energy: -273.208 Base-Backbone interact. energy: -4.051 local terms energy: -518.690226 where: bonds (distance) C4'-P energy: -158.050 bonds (distance) P-C4' energy: -159.882 flat angles C4'-P-C4' energy: -129.064 flat angles P-C4'-P energy: -81.674 tors. eta vs tors. theta energy: 9.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -704.609139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.609139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.609139 (E_RNA) where: Base-Base interactions energy: -236.571 where: short stacking energy: -173.654 Base-Backbone interact. energy: 2.408 local terms energy: -470.446056 where: bonds (distance) C4'-P energy: -147.087 bonds (distance) P-C4' energy: -145.027 flat angles C4'-P-C4' energy: -152.874 flat angles P-C4'-P energy: -65.946 tors. eta vs tors. theta energy: 40.488 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: 177 Temperature: 0.900000 Total energy: -3052.598519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.598519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.598519 (E_RNA) where: Base-Base interactions energy: -2092.006 where: short stacking energy: -871.968 Base-Backbone interact. energy: -4.618 local terms energy: -955.974089 where: bonds (distance) C4'-P energy: -167.545 bonds (distance) P-C4' energy: -190.685 flat angles C4'-P-C4' energy: -208.673 flat angles P-C4'-P energy: -137.629 tors. eta vs tors. theta energy: -251.442 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2859.003772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.003772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.003772 (E_RNA) where: Base-Base interactions energy: -1946.412 where: short stacking energy: -839.886 Base-Backbone interact. energy: -2.969 local terms energy: -909.622989 where: bonds (distance) C4'-P energy: -179.039 bonds (distance) P-C4' energy: -188.126 flat angles C4'-P-C4' energy: -201.045 flat angles P-C4'-P energy: -119.177 tors. eta vs tors. theta energy: -222.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2617.873706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.873706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.873706 (E_RNA) where: Base-Base interactions energy: -1728.475 where: short stacking energy: -754.608 Base-Backbone interact. energy: -5.311 local terms energy: -884.087299 where: bonds (distance) C4'-P energy: -172.476 bonds (distance) P-C4' energy: -189.480 flat angles C4'-P-C4' energy: -186.575 flat angles P-C4'-P energy: -128.321 tors. eta vs tors. theta energy: -207.236 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: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2509.969909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.969909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.969909 (E_RNA) where: Base-Base interactions energy: -1640.496 where: short stacking energy: -717.887 Base-Backbone interact. energy: 1.671 local terms energy: -871.145115 where: bonds (distance) C4'-P energy: -173.427 bonds (distance) P-C4' energy: -173.444 flat angles C4'-P-C4' energy: -202.112 flat angles P-C4'-P energy: -114.953 tors. eta vs tors. theta energy: -207.209 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: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2271.180634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.180634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.180634 (E_RNA) where: Base-Base interactions energy: -1477.295 where: short stacking energy: -677.334 Base-Backbone interact. energy: -3.796 local terms energy: -790.089787 where: bonds (distance) C4'-P energy: -153.385 bonds (distance) P-C4' energy: -181.143 flat angles C4'-P-C4' energy: -172.682 flat angles P-C4'-P energy: -109.308 tors. eta vs tors. theta energy: -173.571 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: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2030.946862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.946862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.946862 (E_RNA) where: Base-Base interactions energy: -1317.497 where: short stacking energy: -625.608 Base-Backbone interact. energy: -3.314 local terms energy: -710.136030 where: bonds (distance) C4'-P energy: -167.493 bonds (distance) P-C4' energy: -143.324 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -100.862 tors. eta vs tors. theta energy: -136.451 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: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1782.026440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.026440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.026440 (E_RNA) where: Base-Base interactions energy: -1161.432 where: short stacking energy: -510.213 Base-Backbone interact. energy: 4.767 local terms energy: -625.361568 where: bonds (distance) C4'-P energy: -153.822 bonds (distance) P-C4' energy: -148.172 flat angles C4'-P-C4' energy: -139.460 flat angles P-C4'-P energy: -88.430 tors. eta vs tors. theta energy: -95.478 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: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1463.412644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.412644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.412644 (E_RNA) where: Base-Base interactions energy: -852.263 where: short stacking energy: -390.448 Base-Backbone interact. energy: 0.254 local terms energy: -611.403228 where: bonds (distance) C4'-P energy: -145.237 bonds (distance) P-C4' energy: -150.984 flat angles C4'-P-C4' energy: -157.128 flat angles P-C4'-P energy: -97.837 tors. eta vs tors. theta energy: -60.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -862.843421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.843421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.843421 (E_RNA) where: Base-Base interactions energy: -392.631 where: short stacking energy: -237.830 Base-Backbone interact. energy: -0.807 local terms energy: -469.405428 where: bonds (distance) C4'-P energy: -138.323 bonds (distance) P-C4' energy: -156.146 flat angles C4'-P-C4' energy: -127.878 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: 30.897 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: 177 Temperature: 1.350000 Total energy: -653.723581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.723581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.723581 (E_RNA) where: Base-Base interactions energy: -243.519 where: short stacking energy: -189.467 Base-Backbone interact. energy: 3.378 local terms energy: -413.581986 where: bonds (distance) C4'-P energy: -140.909 bonds (distance) P-C4' energy: -140.610 flat angles C4'-P-C4' energy: -104.134 flat angles P-C4'-P energy: -65.491 tors. eta vs tors. theta energy: 37.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3036.115196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.115196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.115196 (E_RNA) where: Base-Base interactions energy: -2075.976 where: short stacking energy: -875.785 Base-Backbone interact. energy: -3.286 local terms energy: -956.852819 where: bonds (distance) C4'-P energy: -188.596 bonds (distance) P-C4' energy: -179.735 flat angles C4'-P-C4' energy: -204.390 flat angles P-C4'-P energy: -126.219 tors. eta vs tors. theta energy: -257.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2820.849224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.849224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.849224 (E_RNA) where: Base-Base interactions energy: -1894.921 where: short stacking energy: -786.816 Base-Backbone interact. energy: -2.563 local terms energy: -923.365746 where: bonds (distance) C4'-P energy: -176.687 bonds (distance) P-C4' energy: -164.781 flat angles C4'-P-C4' energy: -206.950 flat angles P-C4'-P energy: -139.947 tors. eta vs tors. theta energy: -235.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2631.494741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.494741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.494741 (E_RNA) where: Base-Base interactions energy: -1761.650 where: short stacking energy: -764.907 Base-Backbone interact. energy: 2.610 local terms energy: -872.454925 where: bonds (distance) C4'-P energy: -176.977 bonds (distance) P-C4' energy: -174.872 flat angles C4'-P-C4' energy: -184.045 flat angles P-C4'-P energy: -122.521 tors. eta vs tors. theta energy: -214.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2546.634441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.634441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.634441 (E_RNA) where: Base-Base interactions energy: -1680.778 where: short stacking energy: -764.022 Base-Backbone interact. energy: -2.423 local terms energy: -863.434095 where: bonds (distance) C4'-P energy: -158.089 bonds (distance) P-C4' energy: -181.224 flat angles C4'-P-C4' energy: -186.056 flat angles P-C4'-P energy: -138.761 tors. eta vs tors. theta energy: -199.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2295.781725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.781725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.781725 (E_RNA) where: Base-Base interactions energy: -1512.099 where: short stacking energy: -691.008 Base-Backbone interact. energy: 1.574 local terms energy: -785.256450 where: bonds (distance) C4'-P energy: -164.272 bonds (distance) P-C4' energy: -157.716 flat angles C4'-P-C4' energy: -179.726 flat angles P-C4'-P energy: -108.018 tors. eta vs tors. theta energy: -175.525 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: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2098.932308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.932308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.932308 (E_RNA) where: Base-Base interactions energy: -1366.970 where: short stacking energy: -628.070 Base-Backbone interact. energy: 0.489 local terms energy: -732.450832 where: bonds (distance) C4'-P energy: -145.048 bonds (distance) P-C4' energy: -157.287 flat angles C4'-P-C4' energy: -163.026 flat angles P-C4'-P energy: -107.313 tors. eta vs tors. theta energy: -159.777 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: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1697.779780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.779780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.779780 (E_RNA) where: Base-Base interactions energy: -1043.685 where: short stacking energy: -455.653 Base-Backbone interact. energy: 4.959 local terms energy: -659.053688 where: bonds (distance) C4'-P energy: -151.129 bonds (distance) P-C4' energy: -147.788 flat angles C4'-P-C4' energy: -176.766 flat angles P-C4'-P energy: -95.256 tors. eta vs tors. theta energy: -88.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1427.358490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.358490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.358490 (E_RNA) where: Base-Base interactions energy: -838.831 where: short stacking energy: -386.226 Base-Backbone interact. energy: 4.272 local terms energy: -592.799617 where: bonds (distance) C4'-P energy: -150.784 bonds (distance) P-C4' energy: -163.428 flat angles C4'-P-C4' energy: -138.057 flat angles P-C4'-P energy: -85.634 tors. eta vs tors. theta energy: -54.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -898.755212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.755212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.755212 (E_RNA) where: Base-Base interactions energy: -394.992 where: short stacking energy: -249.783 Base-Backbone interact. energy: -5.209 local terms energy: -498.554009 where: bonds (distance) C4'-P energy: -156.488 bonds (distance) P-C4' energy: -151.228 flat angles C4'-P-C4' energy: -155.440 flat angles P-C4'-P energy: -54.074 tors. eta vs tors. theta energy: 18.676 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: 178 Temperature: 1.350000 Total energy: -775.959888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.959888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.959888 (E_RNA) where: Base-Base interactions energy: -308.728 where: short stacking energy: -182.170 Base-Backbone interact. energy: -1.767 local terms energy: -465.464623 where: bonds (distance) C4'-P energy: -152.903 bonds (distance) P-C4' energy: -162.660 flat angles C4'-P-C4' energy: -117.959 flat angles P-C4'-P energy: -81.842 tors. eta vs tors. theta energy: 49.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3057.193716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.193716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.193716 (E_RNA) where: Base-Base interactions energy: -2096.033 where: short stacking energy: -901.289 Base-Backbone interact. energy: -4.040 local terms energy: -957.120441 where: bonds (distance) C4'-P energy: -184.739 bonds (distance) P-C4' energy: -183.820 flat angles C4'-P-C4' energy: -189.992 flat angles P-C4'-P energy: -136.667 tors. eta vs tors. theta energy: -261.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2794.534444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.534444 (E_RNA) where: Base-Base interactions energy: -1869.543 where: short stacking energy: -819.694 Base-Backbone interact. energy: -5.396 local terms energy: -919.596269 where: bonds (distance) C4'-P energy: -174.630 bonds (distance) P-C4' energy: -182.831 flat angles C4'-P-C4' energy: -194.018 flat angles P-C4'-P energy: -141.665 tors. eta vs tors. theta energy: -226.452 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: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2619.543601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.543601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.543601 (E_RNA) where: Base-Base interactions energy: -1786.641 where: short stacking energy: -795.355 Base-Backbone interact. energy: -2.238 local terms energy: -830.664097 where: bonds (distance) C4'-P energy: -160.613 bonds (distance) P-C4' energy: -149.146 flat angles C4'-P-C4' energy: -178.916 flat angles P-C4'-P energy: -134.517 tors. eta vs tors. theta energy: -207.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2547.683303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.683303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.683303 (E_RNA) where: Base-Base interactions energy: -1666.925 where: short stacking energy: -737.941 Base-Backbone interact. energy: -0.066 local terms energy: -880.692186 where: bonds (distance) C4'-P energy: -172.175 bonds (distance) P-C4' energy: -184.491 flat angles C4'-P-C4' energy: -189.045 flat angles P-C4'-P energy: -127.232 tors. eta vs tors. theta energy: -207.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2363.749702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.749702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.749702 (E_RNA) where: Base-Base interactions energy: -1547.589 where: short stacking energy: -731.475 Base-Backbone interact. energy: -2.992 local terms energy: -813.168412 where: bonds (distance) C4'-P energy: -161.365 bonds (distance) P-C4' energy: -153.001 flat angles C4'-P-C4' energy: -181.657 flat angles P-C4'-P energy: -122.387 tors. eta vs tors. theta energy: -194.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2151.142569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.142569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.142569 (E_RNA) where: Base-Base interactions energy: -1400.691 where: short stacking energy: -625.851 Base-Backbone interact. energy: 0.352 local terms energy: -750.803686 where: bonds (distance) C4'-P energy: -147.724 bonds (distance) P-C4' energy: -154.735 flat angles C4'-P-C4' energy: -164.506 flat angles P-C4'-P energy: -99.466 tors. eta vs tors. theta energy: -184.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1706.104841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.104841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.104841 (E_RNA) where: Base-Base interactions energy: -1067.013 where: short stacking energy: -492.974 Base-Backbone interact. energy: 1.515 local terms energy: -640.607576 where: bonds (distance) C4'-P energy: -157.111 bonds (distance) P-C4' energy: -153.326 flat angles C4'-P-C4' energy: -151.897 flat angles P-C4'-P energy: -90.615 tors. eta vs tors. theta energy: -87.658 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: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1469.522501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.522501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.522501 (E_RNA) where: Base-Base interactions energy: -856.485 where: short stacking energy: -404.587 Base-Backbone interact. energy: -0.522 local terms energy: -612.516032 where: bonds (distance) C4'-P energy: -148.524 bonds (distance) P-C4' energy: -172.986 flat angles C4'-P-C4' energy: -145.137 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -74.074 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: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -905.932702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.932702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.932702 (E_RNA) where: Base-Base interactions energy: -402.301 where: short stacking energy: -248.828 Base-Backbone interact. energy: -1.111 local terms energy: -502.520687 where: bonds (distance) C4'-P energy: -155.714 bonds (distance) P-C4' energy: -175.047 flat angles C4'-P-C4' energy: -129.944 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: 26.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -767.117751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.117751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.117751 (E_RNA) where: Base-Base interactions energy: -320.641 where: short stacking energy: -242.810 Base-Backbone interact. energy: 5.602 local terms energy: -452.079177 where: bonds (distance) C4'-P energy: -123.615 bonds (distance) P-C4' energy: -164.055 flat angles C4'-P-C4' energy: -124.620 flat angles P-C4'-P energy: -62.976 tors. eta vs tors. theta energy: 23.187 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: 180 Temperature: 0.900000 Total energy: -3084.259938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.259938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.259938 (E_RNA) where: Base-Base interactions energy: -2111.626 where: short stacking energy: -905.234 Base-Backbone interact. energy: -3.978 local terms energy: -968.655595 where: bonds (distance) C4'-P energy: -187.136 bonds (distance) P-C4' energy: -184.957 flat angles C4'-P-C4' energy: -210.715 flat angles P-C4'-P energy: -134.475 tors. eta vs tors. theta energy: -251.372 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: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2833.768101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.768101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.768101 (E_RNA) where: Base-Base interactions energy: -1938.308 where: short stacking energy: -838.809 Base-Backbone interact. energy: 2.340 local terms energy: -897.799420 where: bonds (distance) C4'-P energy: -181.677 bonds (distance) P-C4' energy: -185.186 flat angles C4'-P-C4' energy: -196.420 flat angles P-C4'-P energy: -117.262 tors. eta vs tors. theta energy: -217.254 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: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2688.209450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.209450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.209450 (E_RNA) where: Base-Base interactions energy: -1807.986 where: short stacking energy: -778.738 Base-Backbone interact. energy: -1.286 local terms energy: -878.937538 where: bonds (distance) C4'-P energy: -169.547 bonds (distance) P-C4' energy: -182.732 flat angles C4'-P-C4' energy: -190.754 flat angles P-C4'-P energy: -125.406 tors. eta vs tors. theta energy: -210.499 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: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2573.962489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.962489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.962489 (E_RNA) where: Base-Base interactions energy: -1735.010 where: short stacking energy: -781.602 Base-Backbone interact. energy: -4.414 local terms energy: -834.539116 where: bonds (distance) C4'-P energy: -170.101 bonds (distance) P-C4' energy: -156.410 flat angles C4'-P-C4' energy: -181.694 flat angles P-C4'-P energy: -117.839 tors. eta vs tors. theta energy: -208.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2309.140239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.140239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.140239 (E_RNA) where: Base-Base interactions energy: -1550.276 where: short stacking energy: -696.681 Base-Backbone interact. energy: -4.251 local terms energy: -754.612585 where: bonds (distance) C4'-P energy: -144.092 bonds (distance) P-C4' energy: -144.989 flat angles C4'-P-C4' energy: -168.623 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -176.373 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: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2140.033760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.033760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.033760 (E_RNA) where: Base-Base interactions energy: -1378.741 where: short stacking energy: -637.374 Base-Backbone interact. energy: -5.956 local terms energy: -755.336508 where: bonds (distance) C4'-P energy: -136.011 bonds (distance) P-C4' energy: -175.875 flat angles C4'-P-C4' energy: -170.962 flat angles P-C4'-P energy: -102.987 tors. eta vs tors. theta energy: -169.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1706.218744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.218744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.218744 (E_RNA) where: Base-Base interactions energy: -1022.787 where: short stacking energy: -455.528 Base-Backbone interact. energy: 0.007 local terms energy: -683.438169 where: bonds (distance) C4'-P energy: -149.380 bonds (distance) P-C4' energy: -169.126 flat angles C4'-P-C4' energy: -156.274 flat angles P-C4'-P energy: -123.516 tors. eta vs tors. theta energy: -85.142 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: 8, replica: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1447.979109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.979109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.979109 (E_RNA) where: Base-Base interactions energy: -850.019 where: short stacking energy: -382.110 Base-Backbone interact. energy: -2.155 local terms energy: -595.804503 where: bonds (distance) C4'-P energy: -140.631 bonds (distance) P-C4' energy: -147.066 flat angles C4'-P-C4' energy: -157.078 flat angles P-C4'-P energy: -97.957 tors. eta vs tors. theta energy: -53.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -877.085744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.085744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.085744 (E_RNA) where: Base-Base interactions energy: -368.759 where: short stacking energy: -236.509 Base-Backbone interact. energy: -0.887 local terms energy: -507.439818 where: bonds (distance) C4'-P energy: -134.843 bonds (distance) P-C4' energy: -169.812 flat angles C4'-P-C4' energy: -132.700 flat angles P-C4'-P energy: -82.172 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: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -725.958109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.958109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.958109 (E_RNA) where: Base-Base interactions energy: -251.123 where: short stacking energy: -184.244 Base-Backbone interact. energy: -0.706 local terms energy: -474.129089 where: bonds (distance) C4'-P energy: -153.416 bonds (distance) P-C4' energy: -161.797 flat angles C4'-P-C4' energy: -137.516 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: 52.023 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: 181 Temperature: 0.900000 Total energy: -3077.404301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.404301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.404301 (E_RNA) where: Base-Base interactions energy: -2096.241 where: short stacking energy: -879.054 Base-Backbone interact. energy: -0.054 local terms energy: -981.109934 where: bonds (distance) C4'-P energy: -186.465 bonds (distance) P-C4' energy: -190.204 flat angles C4'-P-C4' energy: -204.618 flat angles P-C4'-P energy: -144.324 tors. eta vs tors. theta energy: -255.499 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2867.076305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.076305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.076305 (E_RNA) where: Base-Base interactions energy: -1983.843 where: short stacking energy: -838.203 Base-Backbone interact. energy: -3.602 local terms energy: -879.630816 where: bonds (distance) C4'-P energy: -178.075 bonds (distance) P-C4' energy: -173.917 flat angles C4'-P-C4' energy: -180.423 flat angles P-C4'-P energy: -127.674 tors. eta vs tors. theta energy: -219.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2688.768409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.768409 (E_RNA) where: Base-Base interactions energy: -1777.281 where: short stacking energy: -768.303 Base-Backbone interact. energy: -1.658 local terms energy: -909.830023 where: bonds (distance) C4'-P energy: -191.346 bonds (distance) P-C4' energy: -179.732 flat angles C4'-P-C4' energy: -182.304 flat angles P-C4'-P energy: -131.924 tors. eta vs tors. theta energy: -224.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2599.577770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.577770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.577770 (E_RNA) where: Base-Base interactions energy: -1711.460 where: short stacking energy: -774.297 Base-Backbone interact. energy: 1.741 local terms energy: -889.858461 where: bonds (distance) C4'-P energy: -174.217 bonds (distance) P-C4' energy: -167.533 flat angles C4'-P-C4' energy: -197.415 flat angles P-C4'-P energy: -130.323 tors. eta vs tors. theta energy: -220.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2335.951856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.951856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.951856 (E_RNA) where: Base-Base interactions energy: -1544.132 where: short stacking energy: -664.247 Base-Backbone interact. energy: -5.966 local terms energy: -785.853753 where: bonds (distance) C4'-P energy: -167.768 bonds (distance) P-C4' energy: -170.677 flat angles C4'-P-C4' energy: -176.370 flat angles P-C4'-P energy: -111.294 tors. eta vs tors. theta energy: -159.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2144.147600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.147600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.147600 (E_RNA) where: Base-Base interactions energy: -1383.136 where: short stacking energy: -585.750 Base-Backbone interact. energy: -2.795 local terms energy: -758.216798 where: bonds (distance) C4'-P energy: -167.037 bonds (distance) P-C4' energy: -174.534 flat angles C4'-P-C4' energy: -158.674 flat angles P-C4'-P energy: -96.199 tors. eta vs tors. theta energy: -161.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1626.702100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.702100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.702100 (E_RNA) where: Base-Base interactions energy: -1007.951 where: short stacking energy: -447.778 Base-Backbone interact. energy: 0.006 local terms energy: -618.756724 where: bonds (distance) C4'-P energy: -162.501 bonds (distance) P-C4' energy: -150.122 flat angles C4'-P-C4' energy: -163.481 flat angles P-C4'-P energy: -88.425 tors. eta vs tors. theta energy: -54.228 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: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1526.132950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.132950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.132950 (E_RNA) where: Base-Base interactions energy: -958.384 where: short stacking energy: -427.003 Base-Backbone interact. energy: 0.122 local terms energy: -567.871873 where: bonds (distance) C4'-P energy: -150.809 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -141.246 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -53.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -914.201959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.201959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.201959 (E_RNA) where: Base-Base interactions energy: -376.474 where: short stacking energy: -246.792 Base-Backbone interact. energy: 5.239 local terms energy: -542.966507 where: bonds (distance) C4'-P energy: -166.853 bonds (distance) P-C4' energy: -140.795 flat angles C4'-P-C4' energy: -132.711 flat angles P-C4'-P energy: -103.541 tors. eta vs tors. theta energy: 0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -721.760471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.760471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.760471 (E_RNA) where: Base-Base interactions energy: -274.683 where: short stacking energy: -184.322 Base-Backbone interact. energy: 5.087 local terms energy: -452.164842 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -144.741 flat angles C4'-P-C4' energy: -123.056 flat angles P-C4'-P energy: -95.186 tors. eta vs tors. theta energy: 49.954 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: 182 Temperature: 0.900000 Total energy: -3070.526936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.526936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.526936 (E_RNA) where: Base-Base interactions energy: -2105.892 where: short stacking energy: -904.151 Base-Backbone interact. energy: -2.419 local terms energy: -962.216001 where: bonds (distance) C4'-P energy: -172.125 bonds (distance) P-C4' energy: -183.497 flat angles C4'-P-C4' energy: -211.472 flat angles P-C4'-P energy: -135.941 tors. eta vs tors. theta energy: -259.180 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: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2834.433800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.433800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.433800 (E_RNA) where: Base-Base interactions energy: -1917.716 where: short stacking energy: -820.634 Base-Backbone interact. energy: -4.978 local terms energy: -911.739860 where: bonds (distance) C4'-P energy: -178.252 bonds (distance) P-C4' energy: -188.750 flat angles C4'-P-C4' energy: -192.989 flat angles P-C4'-P energy: -128.133 tors. eta vs tors. theta energy: -223.616 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: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2722.001808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.001808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.001808 (E_RNA) where: Base-Base interactions energy: -1862.357 where: short stacking energy: -811.204 Base-Backbone interact. energy: -1.719 local terms energy: -857.925832 where: bonds (distance) C4'-P energy: -161.732 bonds (distance) P-C4' energy: -165.897 flat angles C4'-P-C4' energy: -190.906 flat angles P-C4'-P energy: -134.621 tors. eta vs tors. theta energy: -204.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2590.084641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.084641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.084641 (E_RNA) where: Base-Base interactions energy: -1738.381 where: short stacking energy: -765.140 Base-Backbone interact. energy: -3.481 local terms energy: -848.222582 where: bonds (distance) C4'-P energy: -154.886 bonds (distance) P-C4' energy: -165.889 flat angles C4'-P-C4' energy: -186.835 flat angles P-C4'-P energy: -133.575 tors. eta vs tors. theta energy: -207.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2337.913098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.913098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.913098 (E_RNA) where: Base-Base interactions energy: -1539.499 where: short stacking energy: -707.031 Base-Backbone interact. energy: 0.089 local terms energy: -798.502198 where: bonds (distance) C4'-P energy: -179.385 bonds (distance) P-C4' energy: -152.452 flat angles C4'-P-C4' energy: -165.086 flat angles P-C4'-P energy: -109.068 tors. eta vs tors. theta energy: -192.511 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: 182 Temperature: 1.150000 Total energy: -2124.284785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.284785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.284785 (E_RNA) where: Base-Base interactions energy: -1371.160 where: short stacking energy: -629.174 Base-Backbone interact. energy: 0.305 local terms energy: -753.430446 where: bonds (distance) C4'-P energy: -160.238 bonds (distance) P-C4' energy: -161.307 flat angles C4'-P-C4' energy: -166.962 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -154.144 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: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1629.376862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.376862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.376862 (E_RNA) where: Base-Base interactions energy: -1011.549 where: short stacking energy: -443.112 Base-Backbone interact. energy: 2.500 local terms energy: -620.327199 where: bonds (distance) C4'-P energy: -135.330 bonds (distance) P-C4' energy: -173.490 flat angles C4'-P-C4' energy: -162.198 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -60.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1449.822464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.822464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.822464 (E_RNA) where: Base-Base interactions energy: -857.077 where: short stacking energy: -418.309 Base-Backbone interact. energy: -1.704 local terms energy: -591.041367 where: bonds (distance) C4'-P energy: -164.415 bonds (distance) P-C4' energy: -165.740 flat angles C4'-P-C4' energy: -131.535 flat angles P-C4'-P energy: -84.841 tors. eta vs tors. theta energy: -44.511 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: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -920.284392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.284392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.284392 (E_RNA) where: Base-Base interactions energy: -455.272 where: short stacking energy: -266.125 Base-Backbone interact. energy: 0.597 local terms energy: -465.608989 where: bonds (distance) C4'-P energy: -156.283 bonds (distance) P-C4' energy: -151.493 flat angles C4'-P-C4' energy: -92.760 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: 19.597 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: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -745.269887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.269887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.269887 (E_RNA) where: Base-Base interactions energy: -286.685 where: short stacking energy: -204.096 Base-Backbone interact. energy: 7.184 local terms energy: -465.768891 where: bonds (distance) C4'-P energy: -136.793 bonds (distance) P-C4' energy: -168.134 flat angles C4'-P-C4' energy: -122.674 flat angles P-C4'-P energy: -60.174 tors. eta vs tors. theta energy: 22.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3097.482312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.482312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.482312 (E_RNA) where: Base-Base interactions energy: -2134.399 where: short stacking energy: -860.280 Base-Backbone interact. energy: -5.432 local terms energy: -957.651087 where: bonds (distance) C4'-P energy: -194.283 bonds (distance) P-C4' energy: -176.846 flat angles C4'-P-C4' energy: -202.342 flat angles P-C4'-P energy: -139.866 tors. eta vs tors. theta energy: -244.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2872.340933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.340933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.340933 (E_RNA) where: Base-Base interactions energy: -1941.900 where: short stacking energy: -825.987 Base-Backbone interact. energy: -3.869 local terms energy: -926.571446 where: bonds (distance) C4'-P energy: -165.613 bonds (distance) P-C4' energy: -199.678 flat angles C4'-P-C4' energy: -196.755 flat angles P-C4'-P energy: -137.128 tors. eta vs tors. theta energy: -227.397 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: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2761.077931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.077931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.077931 (E_RNA) where: Base-Base interactions energy: -1860.061 where: short stacking energy: -823.758 Base-Backbone interact. energy: -0.571 local terms energy: -900.445657 where: bonds (distance) C4'-P energy: -177.711 bonds (distance) P-C4' energy: -177.395 flat angles C4'-P-C4' energy: -188.043 flat angles P-C4'-P energy: -144.728 tors. eta vs tors. theta energy: -212.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2600.090196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.090196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.090196 (E_RNA) where: Base-Base interactions energy: -1743.163 where: short stacking energy: -759.469 Base-Backbone interact. energy: 5.049 local terms energy: -861.976272 where: bonds (distance) C4'-P energy: -152.931 bonds (distance) P-C4' energy: -164.784 flat angles C4'-P-C4' energy: -194.534 flat angles P-C4'-P energy: -126.872 tors. eta vs tors. theta energy: -222.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2247.662843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.662843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.662843 (E_RNA) where: Base-Base interactions energy: -1472.368 where: short stacking energy: -696.016 Base-Backbone interact. energy: -1.873 local terms energy: -773.422541 where: bonds (distance) C4'-P energy: -152.974 bonds (distance) P-C4' energy: -149.616 flat angles C4'-P-C4' energy: -177.463 flat angles P-C4'-P energy: -109.062 tors. eta vs tors. theta energy: -184.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2067.280521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.280521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.280521 (E_RNA) where: Base-Base interactions energy: -1348.287 where: short stacking energy: -623.045 Base-Backbone interact. energy: -5.678 local terms energy: -713.315177 where: bonds (distance) C4'-P energy: -137.935 bonds (distance) P-C4' energy: -169.883 flat angles C4'-P-C4' energy: -157.228 flat angles P-C4'-P energy: -93.764 tors. eta vs tors. theta energy: -154.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1694.179206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.179206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.179206 (E_RNA) where: Base-Base interactions energy: -1029.640 where: short stacking energy: -478.373 Base-Backbone interact. energy: -2.099 local terms energy: -662.440819 where: bonds (distance) C4'-P energy: -157.048 bonds (distance) P-C4' energy: -161.584 flat angles C4'-P-C4' energy: -159.176 flat angles P-C4'-P energy: -86.373 tors. eta vs tors. theta energy: -98.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1487.031118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.031118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.031118 (E_RNA) where: Base-Base interactions energy: -908.041 where: short stacking energy: -397.307 Base-Backbone interact. energy: 8.704 local terms energy: -587.693831 where: bonds (distance) C4'-P energy: -155.070 bonds (distance) P-C4' energy: -135.096 flat angles C4'-P-C4' energy: -153.042 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -56.071 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: 183 Temperature: 1.300000 Total energy: -845.875191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.875191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.875191 (E_RNA) where: Base-Base interactions energy: -388.395 where: short stacking energy: -237.845 Base-Backbone interact. energy: 3.913 local terms energy: -461.393088 where: bonds (distance) C4'-P energy: -145.061 bonds (distance) P-C4' energy: -164.223 flat angles C4'-P-C4' energy: -119.567 flat angles P-C4'-P energy: -48.024 tors. eta vs tors. theta energy: 15.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -806.082812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.082812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.082812 (E_RNA) where: Base-Base interactions energy: -362.322 where: short stacking energy: -196.808 Base-Backbone interact. energy: 0.325 local terms energy: -444.086182 where: bonds (distance) C4'-P energy: -145.919 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -116.697 flat angles P-C4'-P energy: -68.519 tors. eta vs tors. theta energy: 39.230 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: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3065.002906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.002906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.002906 (E_RNA) where: Base-Base interactions energy: -2110.277 where: short stacking energy: -876.216 Base-Backbone interact. energy: -5.780 local terms energy: -948.945707 where: bonds (distance) C4'-P energy: -174.125 bonds (distance) P-C4' energy: -180.482 flat angles C4'-P-C4' energy: -211.261 flat angles P-C4'-P energy: -136.071 tors. eta vs tors. theta energy: -247.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2871.305847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.305847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.305847 (E_RNA) where: Base-Base interactions energy: -1951.773 where: short stacking energy: -832.115 Base-Backbone interact. energy: -2.316 local terms energy: -917.216341 where: bonds (distance) C4'-P energy: -179.562 bonds (distance) P-C4' energy: -180.959 flat angles C4'-P-C4' energy: -196.468 flat angles P-C4'-P energy: -135.883 tors. eta vs tors. theta energy: -224.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2759.756255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.756255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.756255 (E_RNA) where: Base-Base interactions energy: -1851.502 where: short stacking energy: -802.240 Base-Backbone interact. energy: 3.022 local terms energy: -911.276327 where: bonds (distance) C4'-P energy: -165.609 bonds (distance) P-C4' energy: -178.219 flat angles C4'-P-C4' energy: -203.789 flat angles P-C4'-P energy: -141.376 tors. eta vs tors. theta energy: -222.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2537.622238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.622238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.622238 (E_RNA) where: Base-Base interactions energy: -1686.802 where: short stacking energy: -737.410 Base-Backbone interact. energy: 0.083 local terms energy: -850.903025 where: bonds (distance) C4'-P energy: -165.950 bonds (distance) P-C4' energy: -163.501 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -133.721 tors. eta vs tors. theta energy: -199.248 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: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2268.701142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.701142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.701142 (E_RNA) where: Base-Base interactions energy: -1485.126 where: short stacking energy: -621.004 Base-Backbone interact. energy: 5.640 local terms energy: -789.215078 where: bonds (distance) C4'-P energy: -186.821 bonds (distance) P-C4' energy: -146.700 flat angles C4'-P-C4' energy: -185.889 flat angles P-C4'-P energy: -109.991 tors. eta vs tors. theta energy: -159.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2071.805718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.805718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.805718 (E_RNA) where: Base-Base interactions energy: -1320.227 where: short stacking energy: -607.402 Base-Backbone interact. energy: 3.208 local terms energy: -754.786054 where: bonds (distance) C4'-P energy: -160.874 bonds (distance) P-C4' energy: -168.381 flat angles C4'-P-C4' energy: -166.519 flat angles P-C4'-P energy: -101.431 tors. eta vs tors. theta energy: -157.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1757.234485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.234485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.234485 (E_RNA) where: Base-Base interactions energy: -1141.904 where: short stacking energy: -539.327 Base-Backbone interact. energy: 4.553 local terms energy: -619.882876 where: bonds (distance) C4'-P energy: -135.897 bonds (distance) P-C4' energy: -158.229 flat angles C4'-P-C4' energy: -138.904 flat angles P-C4'-P energy: -98.005 tors. eta vs tors. theta energy: -88.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1500.852317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.852317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.852317 (E_RNA) where: Base-Base interactions energy: -893.304 where: short stacking energy: -397.880 Base-Backbone interact. energy: -2.354 local terms energy: -605.194581 where: bonds (distance) C4'-P energy: -141.455 bonds (distance) P-C4' energy: -162.500 flat angles C4'-P-C4' energy: -143.979 flat angles P-C4'-P energy: -92.270 tors. eta vs tors. theta energy: -64.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -835.401865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.401865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.401865 (E_RNA) where: Base-Base interactions energy: -355.559 where: short stacking energy: -237.521 Base-Backbone interact. energy: 8.939 local terms energy: -488.782025 where: bonds (distance) C4'-P energy: -146.354 bonds (distance) P-C4' energy: -148.817 flat angles C4'-P-C4' energy: -134.792 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: 5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -804.837214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.837214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.837214 (E_RNA) where: Base-Base interactions energy: -381.224 where: short stacking energy: -237.482 Base-Backbone interact. energy: -1.127 local terms energy: -422.486176 where: bonds (distance) C4'-P energy: -136.079 bonds (distance) P-C4' energy: -121.853 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -69.558 tors. eta vs tors. theta energy: 24.914 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: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3107.800970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.800970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.800970 (E_RNA) where: Base-Base interactions energy: -2135.349 where: short stacking energy: -888.444 Base-Backbone interact. energy: 2.446 local terms energy: -974.897648 where: bonds (distance) C4'-P energy: -191.776 bonds (distance) P-C4' energy: -171.330 flat angles C4'-P-C4' energy: -214.591 flat angles P-C4'-P energy: -145.999 tors. eta vs tors. theta energy: -251.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2878.478839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.478839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.478839 (E_RNA) where: Base-Base interactions energy: -1957.485 where: short stacking energy: -835.519 Base-Backbone interact. energy: 2.836 local terms energy: -923.829847 where: bonds (distance) C4'-P energy: -183.157 bonds (distance) P-C4' energy: -170.541 flat angles C4'-P-C4' energy: -203.345 flat angles P-C4'-P energy: -131.021 tors. eta vs tors. theta energy: -235.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2694.102972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.102972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.102972 (E_RNA) where: Base-Base interactions energy: -1809.490 where: short stacking energy: -818.119 Base-Backbone interact. energy: -1.642 local terms energy: -882.971683 where: bonds (distance) C4'-P energy: -175.125 bonds (distance) P-C4' energy: -164.069 flat angles C4'-P-C4' energy: -196.560 flat angles P-C4'-P energy: -117.730 tors. eta vs tors. theta energy: -229.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2575.005308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.005308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.005308 (E_RNA) where: Base-Base interactions energy: -1714.807 where: short stacking energy: -787.956 Base-Backbone interact. energy: -0.313 local terms energy: -859.884698 where: bonds (distance) C4'-P energy: -174.584 bonds (distance) P-C4' energy: -148.610 flat angles C4'-P-C4' energy: -177.716 flat angles P-C4'-P energy: -135.852 tors. eta vs tors. theta energy: -223.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2253.977489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.977489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.977489 (E_RNA) where: Base-Base interactions energy: -1473.105 where: short stacking energy: -646.323 Base-Backbone interact. energy: 0.368 local terms energy: -781.239673 where: bonds (distance) C4'-P energy: -155.967 bonds (distance) P-C4' energy: -179.462 flat angles C4'-P-C4' energy: -184.909 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -151.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2087.806315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.806315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.806315 (E_RNA) where: Base-Base interactions energy: -1324.824 where: short stacking energy: -634.886 Base-Backbone interact. energy: -0.900 local terms energy: -762.082573 where: bonds (distance) C4'-P energy: -154.581 bonds (distance) P-C4' energy: -173.736 flat angles C4'-P-C4' energy: -170.946 flat angles P-C4'-P energy: -108.483 tors. eta vs tors. theta energy: -154.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1762.569792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.569792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.569792 (E_RNA) where: Base-Base interactions energy: -1086.714 where: short stacking energy: -515.857 Base-Backbone interact. energy: -1.612 local terms energy: -674.243612 where: bonds (distance) C4'-P energy: -139.026 bonds (distance) P-C4' energy: -139.921 flat angles C4'-P-C4' energy: -164.126 flat angles P-C4'-P energy: -101.945 tors. eta vs tors. theta energy: -129.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1489.165307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.165307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.165307 (E_RNA) where: Base-Base interactions energy: -903.695 where: short stacking energy: -403.286 Base-Backbone interact. energy: -1.524 local terms energy: -583.946495 where: bonds (distance) C4'-P energy: -152.089 bonds (distance) P-C4' energy: -157.729 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -78.558 tors. eta vs tors. theta energy: -56.024 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: 185 Temperature: 1.300000 Total energy: -832.231005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.231005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.231005 (E_RNA) where: Base-Base interactions energy: -347.218 where: short stacking energy: -231.349 Base-Backbone interact. energy: 3.250 local terms energy: -488.262708 where: bonds (distance) C4'-P energy: -155.485 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -137.100 flat angles P-C4'-P energy: -69.112 tors. eta vs tors. theta energy: 11.459 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: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -769.162206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.162206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.162206 (E_RNA) where: Base-Base interactions energy: -330.490 where: short stacking energy: -208.129 Base-Backbone interact. energy: -2.953 local terms energy: -435.719714 where: bonds (distance) C4'-P energy: -141.640 bonds (distance) P-C4' energy: -143.304 flat angles C4'-P-C4' energy: -113.992 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: 46.509 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: 186 Temperature: 0.900000 Total energy: -3102.047333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.047333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.047333 (E_RNA) where: Base-Base interactions energy: -2148.417 where: short stacking energy: -914.124 Base-Backbone interact. energy: -0.766 local terms energy: -952.863536 where: bonds (distance) C4'-P energy: -164.455 bonds (distance) P-C4' energy: -182.604 flat angles C4'-P-C4' energy: -195.633 flat angles P-C4'-P energy: -149.952 tors. eta vs tors. theta energy: -260.219 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: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2879.910158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.910158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.910158 (E_RNA) where: Base-Base interactions energy: -1969.630 where: short stacking energy: -850.712 Base-Backbone interact. energy: 5.466 local terms energy: -915.745762 where: bonds (distance) C4'-P energy: -183.351 bonds (distance) P-C4' energy: -178.796 flat angles C4'-P-C4' energy: -188.535 flat angles P-C4'-P energy: -136.391 tors. eta vs tors. theta energy: -228.672 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: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2678.470341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.470341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.470341 (E_RNA) where: Base-Base interactions energy: -1816.355 where: short stacking energy: -815.833 Base-Backbone interact. energy: -2.243 local terms energy: -859.872685 where: bonds (distance) C4'-P energy: -145.300 bonds (distance) P-C4' energy: -187.536 flat angles C4'-P-C4' energy: -200.920 flat angles P-C4'-P energy: -107.759 tors. eta vs tors. theta energy: -218.357 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: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2559.260301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.260301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.260301 (E_RNA) where: Base-Base interactions energy: -1739.092 where: short stacking energy: -790.390 Base-Backbone interact. energy: -4.820 local terms energy: -815.347926 where: bonds (distance) C4'-P energy: -153.013 bonds (distance) P-C4' energy: -162.501 flat angles C4'-P-C4' energy: -186.677 flat angles P-C4'-P energy: -105.832 tors. eta vs tors. theta energy: -207.326 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: 186 Temperature: 1.100000 Total energy: -2328.722033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.722033 (E_RNA) where: Base-Base interactions energy: -1525.953 where: short stacking energy: -686.893 Base-Backbone interact. energy: 1.277 local terms energy: -804.046641 where: bonds (distance) C4'-P energy: -158.252 bonds (distance) P-C4' energy: -158.285 flat angles C4'-P-C4' energy: -188.550 flat angles P-C4'-P energy: -113.680 tors. eta vs tors. theta energy: -185.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2071.294103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.294103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.294103 (E_RNA) where: Base-Base interactions energy: -1315.964 where: short stacking energy: -592.687 Base-Backbone interact. energy: -3.342 local terms energy: -751.988210 where: bonds (distance) C4'-P energy: -141.073 bonds (distance) P-C4' energy: -158.318 flat angles C4'-P-C4' energy: -185.311 flat angles P-C4'-P energy: -100.883 tors. eta vs tors. theta energy: -166.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1690.962080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.962080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.962080 (E_RNA) where: Base-Base interactions energy: -1041.873 where: short stacking energy: -471.489 Base-Backbone interact. energy: -2.455 local terms energy: -646.633892 where: bonds (distance) C4'-P energy: -151.775 bonds (distance) P-C4' energy: -155.817 flat angles C4'-P-C4' energy: -177.197 flat angles P-C4'-P energy: -74.129 tors. eta vs tors. theta energy: -87.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1582.176600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.176600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.176600 (E_RNA) where: Base-Base interactions energy: -956.442 where: short stacking energy: -415.777 Base-Backbone interact. energy: 2.543 local terms energy: -628.277005 where: bonds (distance) C4'-P energy: -155.805 bonds (distance) P-C4' energy: -142.891 flat angles C4'-P-C4' energy: -156.383 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -72.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -849.926246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.926246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.926246 (E_RNA) where: Base-Base interactions energy: -376.101 where: short stacking energy: -239.080 Base-Backbone interact. energy: 2.252 local terms energy: -476.076855 where: bonds (distance) C4'-P energy: -137.680 bonds (distance) P-C4' energy: -173.735 flat angles C4'-P-C4' energy: -112.839 flat angles P-C4'-P energy: -82.688 tors. eta vs tors. theta energy: 30.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -810.238408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.238408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.238408 (E_RNA) where: Base-Base interactions energy: -373.954 where: short stacking energy: -234.700 Base-Backbone interact. energy: 8.753 local terms energy: -445.037532 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -127.716 flat angles C4'-P-C4' energy: -123.753 flat angles P-C4'-P energy: -89.782 tors. eta vs tors. theta energy: 19.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3073.200610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.200610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.200610 (E_RNA) where: Base-Base interactions energy: -2077.548 where: short stacking energy: -850.079 Base-Backbone interact. energy: -5.942 local terms energy: -989.711304 where: bonds (distance) C4'-P energy: -192.392 bonds (distance) P-C4' energy: -186.770 flat angles C4'-P-C4' energy: -218.584 flat angles P-C4'-P energy: -142.632 tors. eta vs tors. theta energy: -249.333 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: 8 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2899.261492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.261492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.261492 (E_RNA) where: Base-Base interactions energy: -1995.652 where: short stacking energy: -823.738 Base-Backbone interact. energy: -5.840 local terms energy: -897.769966 where: bonds (distance) C4'-P energy: -166.553 bonds (distance) P-C4' energy: -176.958 flat angles C4'-P-C4' energy: -201.174 flat angles P-C4'-P energy: -115.742 tors. eta vs tors. theta energy: -237.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2654.840296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.840296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.840296 (E_RNA) where: Base-Base interactions energy: -1820.698 where: short stacking energy: -803.308 Base-Backbone interact. energy: 0.078 local terms energy: -834.219873 where: bonds (distance) C4'-P energy: -158.787 bonds (distance) P-C4' energy: -162.873 flat angles C4'-P-C4' energy: -185.843 flat angles P-C4'-P energy: -113.480 tors. eta vs tors. theta energy: -213.237 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: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2623.909520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.909520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.909520 (E_RNA) where: Base-Base interactions energy: -1759.959 where: short stacking energy: -775.049 Base-Backbone interact. energy: 0.628 local terms energy: -864.579199 where: bonds (distance) C4'-P energy: -163.877 bonds (distance) P-C4' energy: -176.084 flat angles C4'-P-C4' energy: -176.596 flat angles P-C4'-P energy: -127.520 tors. eta vs tors. theta energy: -220.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2324.856356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.856356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.856356 (E_RNA) where: Base-Base interactions energy: -1512.158 where: short stacking energy: -686.450 Base-Backbone interact. energy: -1.824 local terms energy: -810.873564 where: bonds (distance) C4'-P energy: -155.784 bonds (distance) P-C4' energy: -170.487 flat angles C4'-P-C4' energy: -183.904 flat angles P-C4'-P energy: -119.923 tors. eta vs tors. theta energy: -180.776 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: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2071.229671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.229671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.229671 (E_RNA) where: Base-Base interactions energy: -1339.414 where: short stacking energy: -600.186 Base-Backbone interact. energy: -2.504 local terms energy: -729.311809 where: bonds (distance) C4'-P energy: -151.502 bonds (distance) P-C4' energy: -157.259 flat angles C4'-P-C4' energy: -165.750 flat angles P-C4'-P energy: -108.675 tors. eta vs tors. theta energy: -146.126 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: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1614.106193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.106193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.106193 (E_RNA) where: Base-Base interactions energy: -984.175 where: short stacking energy: -438.666 Base-Backbone interact. energy: 3.630 local terms energy: -633.560856 where: bonds (distance) C4'-P energy: -148.669 bonds (distance) P-C4' energy: -189.736 flat angles C4'-P-C4' energy: -162.605 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: -61.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1500.689171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.689171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.689171 (E_RNA) where: Base-Base interactions energy: -923.711 where: short stacking energy: -433.504 Base-Backbone interact. energy: -1.745 local terms energy: -575.232636 where: bonds (distance) C4'-P energy: -150.327 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -156.816 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -47.778 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: 187 Temperature: 1.300000 Total energy: -890.018616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.018616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.018616 (E_RNA) where: Base-Base interactions energy: -392.175 where: short stacking energy: -254.646 Base-Backbone interact. energy: 0.470 local terms energy: -498.313623 where: bonds (distance) C4'-P energy: -147.081 bonds (distance) P-C4' energy: -162.379 flat angles C4'-P-C4' energy: -107.064 flat angles P-C4'-P energy: -87.258 tors. eta vs tors. theta energy: 5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -775.770030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.770030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.770030 (E_RNA) where: Base-Base interactions energy: -333.201 where: short stacking energy: -232.027 Base-Backbone interact. energy: 4.503 local terms energy: -447.071861 where: bonds (distance) C4'-P energy: -145.439 bonds (distance) P-C4' energy: -138.794 flat angles C4'-P-C4' energy: -131.638 flat angles P-C4'-P energy: -48.836 tors. eta vs tors. theta energy: 17.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3140.238623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.238623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.238623 (E_RNA) where: Base-Base interactions energy: -2143.459 where: short stacking energy: -891.073 Base-Backbone interact. energy: -4.936 local terms energy: -991.844376 where: bonds (distance) C4'-P energy: -180.294 bonds (distance) P-C4' energy: -190.091 flat angles C4'-P-C4' energy: -217.585 flat angles P-C4'-P energy: -143.085 tors. eta vs tors. theta energy: -260.789 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: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2873.197833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.197833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.197833 (E_RNA) where: Base-Base interactions energy: -1962.856 where: short stacking energy: -841.510 Base-Backbone interact. energy: -2.422 local terms energy: -907.919668 where: bonds (distance) C4'-P energy: -157.554 bonds (distance) P-C4' energy: -188.270 flat angles C4'-P-C4' energy: -185.774 flat angles P-C4'-P energy: -130.699 tors. eta vs tors. theta energy: -245.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2665.010961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.010961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.010961 (E_RNA) where: Base-Base interactions energy: -1814.323 where: short stacking energy: -786.275 Base-Backbone interact. energy: 3.747 local terms energy: -854.435015 where: bonds (distance) C4'-P energy: -170.968 bonds (distance) P-C4' energy: -172.629 flat angles C4'-P-C4' energy: -178.315 flat angles P-C4'-P energy: -129.112 tors. eta vs tors. theta energy: -203.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2640.579578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.579578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.579578 (E_RNA) where: Base-Base interactions energy: -1766.666 where: short stacking energy: -787.561 Base-Backbone interact. energy: -5.626 local terms energy: -868.287757 where: bonds (distance) C4'-P energy: -152.526 bonds (distance) P-C4' energy: -177.462 flat angles C4'-P-C4' energy: -185.078 flat angles P-C4'-P energy: -134.057 tors. eta vs tors. theta energy: -219.165 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: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2365.335755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.335755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.335755 (E_RNA) where: Base-Base interactions energy: -1547.076 where: short stacking energy: -715.091 Base-Backbone interact. energy: -0.842 local terms energy: -817.417178 where: bonds (distance) C4'-P energy: -145.076 bonds (distance) P-C4' energy: -163.100 flat angles C4'-P-C4' energy: -206.044 flat angles P-C4'-P energy: -108.593 tors. eta vs tors. theta energy: -194.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2045.687026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.687026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.687026 (E_RNA) where: Base-Base interactions energy: -1309.143 where: short stacking energy: -584.979 Base-Backbone interact. energy: 2.694 local terms energy: -739.238091 where: bonds (distance) C4'-P energy: -167.377 bonds (distance) P-C4' energy: -169.143 flat angles C4'-P-C4' energy: -156.106 flat angles P-C4'-P energy: -114.532 tors. eta vs tors. theta energy: -132.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1571.679263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.679263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.679263 (E_RNA) where: Base-Base interactions energy: -951.656 where: short stacking energy: -440.330 Base-Backbone interact. energy: -3.132 local terms energy: -616.891459 where: bonds (distance) C4'-P energy: -147.003 bonds (distance) P-C4' energy: -171.567 flat angles C4'-P-C4' energy: -148.942 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: -73.201 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: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1434.934674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.934674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.934674 (E_RNA) where: Base-Base interactions energy: -814.620 where: short stacking energy: -384.492 Base-Backbone interact. energy: 0.952 local terms energy: -621.267336 where: bonds (distance) C4'-P energy: -174.910 bonds (distance) P-C4' energy: -156.849 flat angles C4'-P-C4' energy: -121.560 flat angles P-C4'-P energy: -100.306 tors. eta vs tors. theta energy: -67.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -887.997956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.997956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.997956 (E_RNA) where: Base-Base interactions energy: -404.814 where: short stacking energy: -257.478 Base-Backbone interact. energy: -5.977 local terms energy: -477.206726 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -138.566 flat angles C4'-P-C4' energy: -123.919 flat angles P-C4'-P energy: -51.831 tors. eta vs tors. theta energy: -10.546 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: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -744.259676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.259676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.259676 (E_RNA) where: Base-Base interactions energy: -296.584 where: short stacking energy: -202.507 Base-Backbone interact. energy: -2.593 local terms energy: -445.083198 where: bonds (distance) C4'-P energy: -130.723 bonds (distance) P-C4' energy: -140.561 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -57.837 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: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3078.672755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.672755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.672755 (E_RNA) where: Base-Base interactions energy: -2110.659 where: short stacking energy: -917.817 Base-Backbone interact. energy: -3.262 local terms energy: -964.751454 where: bonds (distance) C4'-P energy: -188.074 bonds (distance) P-C4' energy: -168.738 flat angles C4'-P-C4' energy: -213.354 flat angles P-C4'-P energy: -135.174 tors. eta vs tors. theta energy: -259.412 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: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2877.302634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.302634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.302634 (E_RNA) where: Base-Base interactions energy: -1953.798 where: short stacking energy: -777.854 Base-Backbone interact. energy: -2.357 local terms energy: -921.147715 where: bonds (distance) C4'-P energy: -181.721 bonds (distance) P-C4' energy: -192.866 flat angles C4'-P-C4' energy: -195.884 flat angles P-C4'-P energy: -123.612 tors. eta vs tors. theta energy: -227.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2629.842927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.842927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.842927 (E_RNA) where: Base-Base interactions energy: -1740.834 where: short stacking energy: -749.386 Base-Backbone interact. energy: -0.223 local terms energy: -888.785924 where: bonds (distance) C4'-P energy: -157.456 bonds (distance) P-C4' energy: -183.351 flat angles C4'-P-C4' energy: -212.477 flat angles P-C4'-P energy: -123.376 tors. eta vs tors. theta energy: -212.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2607.814917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.814917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.814917 (E_RNA) where: Base-Base interactions energy: -1759.487 where: short stacking energy: -761.562 Base-Backbone interact. energy: 1.885 local terms energy: -850.213537 where: bonds (distance) C4'-P energy: -170.097 bonds (distance) P-C4' energy: -164.040 flat angles C4'-P-C4' energy: -180.537 flat angles P-C4'-P energy: -134.374 tors. eta vs tors. theta energy: -201.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2347.238256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.238256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.238256 (E_RNA) where: Base-Base interactions energy: -1525.019 where: short stacking energy: -687.256 Base-Backbone interact. energy: -3.064 local terms energy: -819.155460 where: bonds (distance) C4'-P energy: -163.436 bonds (distance) P-C4' energy: -169.279 flat angles C4'-P-C4' energy: -189.196 flat angles P-C4'-P energy: -105.649 tors. eta vs tors. theta energy: -191.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1982.105376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.105376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.105376 (E_RNA) where: Base-Base interactions energy: -1261.816 where: short stacking energy: -576.532 Base-Backbone interact. energy: -1.991 local terms energy: -718.298424 where: bonds (distance) C4'-P energy: -153.534 bonds (distance) P-C4' energy: -170.154 flat angles C4'-P-C4' energy: -165.704 flat angles P-C4'-P energy: -90.348 tors. eta vs tors. theta energy: -138.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1609.174301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.174301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.174301 (E_RNA) where: Base-Base interactions energy: -967.902 where: short stacking energy: -467.382 Base-Backbone interact. energy: 4.504 local terms energy: -645.776179 where: bonds (distance) C4'-P energy: -143.616 bonds (distance) P-C4' energy: -159.395 flat angles C4'-P-C4' energy: -160.017 flat angles P-C4'-P energy: -92.679 tors. eta vs tors. theta energy: -90.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1428.430738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.430738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.430738 (E_RNA) where: Base-Base interactions energy: -811.681 where: short stacking energy: -389.982 Base-Backbone interact. energy: -0.831 local terms energy: -615.918862 where: bonds (distance) C4'-P energy: -155.249 bonds (distance) P-C4' energy: -163.807 flat angles C4'-P-C4' energy: -150.190 flat angles P-C4'-P energy: -98.886 tors. eta vs tors. theta energy: -47.787 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: 189 Temperature: 1.300000 Total energy: -990.526462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.526462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.526462 (E_RNA) where: Base-Base interactions energy: -457.616 where: short stacking energy: -286.125 Base-Backbone interact. energy: 5.203 local terms energy: -538.113229 where: bonds (distance) C4'-P energy: -146.961 bonds (distance) P-C4' energy: -165.293 flat angles C4'-P-C4' energy: -136.663 flat angles P-C4'-P energy: -78.766 tors. eta vs tors. theta energy: -10.431 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: 189 Temperature: 1.350000 Total energy: -731.695556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.695556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.695556 (E_RNA) where: Base-Base interactions energy: -291.808 where: short stacking energy: -228.072 Base-Backbone interact. energy: 12.455 local terms energy: -452.342268 where: bonds (distance) C4'-P energy: -134.121 bonds (distance) P-C4' energy: -145.782 flat angles C4'-P-C4' energy: -121.276 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: 21.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3090.081845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.081845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.081845 (E_RNA) where: Base-Base interactions energy: -2111.909 where: short stacking energy: -895.055 Base-Backbone interact. energy: -1.717 local terms energy: -976.456734 where: bonds (distance) C4'-P energy: -175.883 bonds (distance) P-C4' energy: -188.986 flat angles C4'-P-C4' energy: -199.336 flat angles P-C4'-P energy: -146.400 tors. eta vs tors. theta energy: -265.853 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: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2860.006747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.006747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.006747 (E_RNA) where: Base-Base interactions energy: -1987.626 where: short stacking energy: -812.478 Base-Backbone interact. energy: 0.805 local terms energy: -873.185853 where: bonds (distance) C4'-P energy: -173.021 bonds (distance) P-C4' energy: -170.336 flat angles C4'-P-C4' energy: -198.261 flat angles P-C4'-P energy: -116.158 tors. eta vs tors. theta energy: -215.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2764.759948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.759948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.759948 (E_RNA) where: Base-Base interactions energy: -1865.173 where: short stacking energy: -815.256 Base-Backbone interact. energy: 0.719 local terms energy: -900.305776 where: bonds (distance) C4'-P energy: -179.717 bonds (distance) P-C4' energy: -177.083 flat angles C4'-P-C4' energy: -197.537 flat angles P-C4'-P energy: -118.694 tors. eta vs tors. theta energy: -227.275 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: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2565.125456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.125456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.125456 (E_RNA) where: Base-Base interactions energy: -1737.984 where: short stacking energy: -764.275 Base-Backbone interact. energy: 1.384 local terms energy: -828.524879 where: bonds (distance) C4'-P energy: -165.953 bonds (distance) P-C4' energy: -160.302 flat angles C4'-P-C4' energy: -174.727 flat angles P-C4'-P energy: -125.242 tors. eta vs tors. theta energy: -202.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2347.496447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.496447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.496447 (E_RNA) where: Base-Base interactions energy: -1516.033 where: short stacking energy: -681.211 Base-Backbone interact. energy: 0.637 local terms energy: -832.100626 where: bonds (distance) C4'-P energy: -175.621 bonds (distance) P-C4' energy: -160.709 flat angles C4'-P-C4' energy: -177.749 flat angles P-C4'-P energy: -125.809 tors. eta vs tors. theta energy: -192.214 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: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1957.837230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.837230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.837230 (E_RNA) where: Base-Base interactions energy: -1260.881 where: short stacking energy: -569.118 Base-Backbone interact. energy: 1.698 local terms energy: -698.654761 where: bonds (distance) C4'-P energy: -152.250 bonds (distance) P-C4' energy: -156.511 flat angles C4'-P-C4' energy: -166.847 flat angles P-C4'-P energy: -92.092 tors. eta vs tors. theta energy: -130.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1553.338537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.338537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.338537 (E_RNA) where: Base-Base interactions energy: -921.054 where: short stacking energy: -437.797 Base-Backbone interact. energy: 0.178 local terms energy: -632.462641 where: bonds (distance) C4'-P energy: -143.534 bonds (distance) P-C4' energy: -142.659 flat angles C4'-P-C4' energy: -154.349 flat angles P-C4'-P energy: -117.990 tors. eta vs tors. theta energy: -73.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1390.140311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.140311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.140311 (E_RNA) where: Base-Base interactions energy: -789.312 where: short stacking energy: -381.319 Base-Backbone interact. energy: -4.612 local terms energy: -596.216181 where: bonds (distance) C4'-P energy: -155.585 bonds (distance) P-C4' energy: -161.554 flat angles C4'-P-C4' energy: -157.254 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: -43.794 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: 190 Temperature: 1.300000 Total energy: -776.216848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.216848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.216848 (E_RNA) where: Base-Base interactions energy: -255.981 where: short stacking energy: -180.514 Base-Backbone interact. energy: 8.236 local terms energy: -528.471505 where: bonds (distance) C4'-P energy: -155.881 bonds (distance) P-C4' energy: -162.469 flat angles C4'-P-C4' energy: -151.379 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: 27.162 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: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -769.628347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.628347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.628347 (E_RNA) where: Base-Base interactions energy: -306.182 where: short stacking energy: -211.873 Base-Backbone interact. energy: 2.120 local terms energy: -465.566639 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -157.845 flat angles C4'-P-C4' energy: -120.105 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: 10.788 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: 191 Temperature: 0.900000 Total energy: -3095.636187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.636187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.636187 (E_RNA) where: Base-Base interactions energy: -2113.016 where: short stacking energy: -878.078 Base-Backbone interact. energy: -4.896 local terms energy: -977.723836 where: bonds (distance) C4'-P energy: -195.925 bonds (distance) P-C4' energy: -188.995 flat angles C4'-P-C4' energy: -209.499 flat angles P-C4'-P energy: -137.595 tors. eta vs tors. theta energy: -245.710 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: 191 Temperature: 0.950000 Total energy: -2891.229658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.229658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.229658 (E_RNA) where: Base-Base interactions energy: -1976.847 where: short stacking energy: -829.474 Base-Backbone interact. energy: -3.277 local terms energy: -911.105265 where: bonds (distance) C4'-P energy: -166.591 bonds (distance) P-C4' energy: -177.615 flat angles C4'-P-C4' energy: -195.137 flat angles P-C4'-P energy: -142.224 tors. eta vs tors. theta energy: -229.538 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: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2755.095004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.095004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.095004 (E_RNA) where: Base-Base interactions energy: -1833.408 where: short stacking energy: -816.950 Base-Backbone interact. energy: -2.516 local terms energy: -919.170787 where: bonds (distance) C4'-P energy: -166.523 bonds (distance) P-C4' energy: -184.393 flat angles C4'-P-C4' energy: -200.406 flat angles P-C4'-P energy: -130.621 tors. eta vs tors. theta energy: -237.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2516.714967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.714967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.714967 (E_RNA) where: Base-Base interactions energy: -1680.300 where: short stacking energy: -726.733 Base-Backbone interact. energy: 0.842 local terms energy: -837.256543 where: bonds (distance) C4'-P energy: -159.459 bonds (distance) P-C4' energy: -154.282 flat angles C4'-P-C4' energy: -183.380 flat angles P-C4'-P energy: -118.496 tors. eta vs tors. theta energy: -221.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2374.490096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.490096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.490096 (E_RNA) where: Base-Base interactions energy: -1590.557 where: short stacking energy: -696.175 Base-Backbone interact. energy: 0.611 local terms energy: -784.544072 where: bonds (distance) C4'-P energy: -133.678 bonds (distance) P-C4' energy: -157.286 flat angles C4'-P-C4' energy: -199.792 flat angles P-C4'-P energy: -102.344 tors. eta vs tors. theta energy: -191.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2001.691399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.691399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.691399 (E_RNA) where: Base-Base interactions energy: -1281.021 where: short stacking energy: -577.319 Base-Backbone interact. energy: 0.187 local terms energy: -720.856497 where: bonds (distance) C4'-P energy: -149.517 bonds (distance) P-C4' energy: -167.907 flat angles C4'-P-C4' energy: -165.042 flat angles P-C4'-P energy: -104.072 tors. eta vs tors. theta energy: -134.319 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: 191 Temperature: 1.200000 Total energy: -1567.002377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.002377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.002377 (E_RNA) where: Base-Base interactions energy: -951.652 where: short stacking energy: -465.678 Base-Backbone interact. energy: -4.046 local terms energy: -611.304567 where: bonds (distance) C4'-P energy: -154.258 bonds (distance) P-C4' energy: -161.804 flat angles C4'-P-C4' energy: -138.298 flat angles P-C4'-P energy: -84.740 tors. eta vs tors. theta energy: -72.204 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: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1339.333379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.333379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.333379 (E_RNA) where: Base-Base interactions energy: -787.298 where: short stacking energy: -391.745 Base-Backbone interact. energy: 2.122 local terms energy: -554.157379 where: bonds (distance) C4'-P energy: -119.250 bonds (distance) P-C4' energy: -143.235 flat angles C4'-P-C4' energy: -153.983 flat angles P-C4'-P energy: -93.439 tors. eta vs tors. theta energy: -44.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -824.624534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.624534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.624534 (E_RNA) where: Base-Base interactions energy: -334.540 where: short stacking energy: -227.544 Base-Backbone interact. energy: 3.689 local terms energy: -493.772637 where: bonds (distance) C4'-P energy: -163.314 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -129.391 flat angles P-C4'-P energy: -66.213 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: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -772.214601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.214601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.214601 (E_RNA) where: Base-Base interactions energy: -300.392 where: short stacking energy: -205.497 Base-Backbone interact. energy: -0.602 local terms energy: -471.220903 where: bonds (distance) C4'-P energy: -135.482 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -110.512 flat angles P-C4'-P energy: -93.910 tors. eta vs tors. theta energy: 19.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3070.883730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.883730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.883730 (E_RNA) where: Base-Base interactions energy: -2098.499 where: short stacking energy: -888.642 Base-Backbone interact. energy: 0.644 local terms energy: -973.028694 where: bonds (distance) C4'-P energy: -182.353 bonds (distance) P-C4' energy: -187.099 flat angles C4'-P-C4' energy: -208.889 flat angles P-C4'-P energy: -146.550 tors. eta vs tors. theta energy: -248.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2900.716718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.716718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.716718 (E_RNA) where: Base-Base interactions energy: -2028.565 where: short stacking energy: -838.307 Base-Backbone interact. energy: -5.676 local terms energy: -866.475939 where: bonds (distance) C4'-P energy: -175.729 bonds (distance) P-C4' energy: -154.943 flat angles C4'-P-C4' energy: -179.425 flat angles P-C4'-P energy: -125.281 tors. eta vs tors. theta energy: -231.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2753.006849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.006849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.006849 (E_RNA) where: Base-Base interactions energy: -1815.887 where: short stacking energy: -801.702 Base-Backbone interact. energy: -2.137 local terms energy: -934.982812 where: bonds (distance) C4'-P energy: -178.550 bonds (distance) P-C4' energy: -191.000 flat angles C4'-P-C4' energy: -190.768 flat angles P-C4'-P energy: -141.187 tors. eta vs tors. theta energy: -233.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2542.893703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.893703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.893703 (E_RNA) where: Base-Base interactions energy: -1697.457 where: short stacking energy: -750.533 Base-Backbone interact. energy: -3.273 local terms energy: -842.163454 where: bonds (distance) C4'-P energy: -164.168 bonds (distance) P-C4' energy: -168.618 flat angles C4'-P-C4' energy: -186.751 flat angles P-C4'-P energy: -112.643 tors. eta vs tors. theta energy: -209.983 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: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2331.630697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.630697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.630697 (E_RNA) where: Base-Base interactions energy: -1535.136 where: short stacking energy: -695.131 Base-Backbone interact. energy: -1.560 local terms energy: -794.934426 where: bonds (distance) C4'-P energy: -156.375 bonds (distance) P-C4' energy: -170.020 flat angles C4'-P-C4' energy: -166.169 flat angles P-C4'-P energy: -113.912 tors. eta vs tors. theta energy: -188.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2093.889663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.889663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.889663 (E_RNA) where: Base-Base interactions energy: -1351.340 where: short stacking energy: -614.367 Base-Backbone interact. energy: 4.218 local terms energy: -746.768190 where: bonds (distance) C4'-P energy: -157.589 bonds (distance) P-C4' energy: -161.269 flat angles C4'-P-C4' energy: -168.510 flat angles P-C4'-P energy: -92.567 tors. eta vs tors. theta energy: -166.832 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: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1509.908090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.908090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.908090 (E_RNA) where: Base-Base interactions energy: -881.113 where: short stacking energy: -432.434 Base-Backbone interact. energy: -0.329 local terms energy: -628.466828 where: bonds (distance) C4'-P energy: -162.716 bonds (distance) P-C4' energy: -168.453 flat angles C4'-P-C4' energy: -156.126 flat angles P-C4'-P energy: -76.028 tors. eta vs tors. theta energy: -65.144 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: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1363.404504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.404504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.404504 (E_RNA) where: Base-Base interactions energy: -778.591 where: short stacking energy: -370.539 Base-Backbone interact. energy: 0.686 local terms energy: -585.500008 where: bonds (distance) C4'-P energy: -156.880 bonds (distance) P-C4' energy: -154.735 flat angles C4'-P-C4' energy: -167.651 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -54.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -875.329091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.329091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.329091 (E_RNA) where: Base-Base interactions energy: -400.023 where: short stacking energy: -259.604 Base-Backbone interact. energy: 0.721 local terms energy: -476.026715 where: bonds (distance) C4'-P energy: -152.019 bonds (distance) P-C4' energy: -150.398 flat angles C4'-P-C4' energy: -109.576 flat angles P-C4'-P energy: -83.058 tors. eta vs tors. theta energy: 19.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -760.344991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.344991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.344991 (E_RNA) where: Base-Base interactions energy: -311.725 where: short stacking energy: -203.137 Base-Backbone interact. energy: -0.752 local terms energy: -447.867879 where: bonds (distance) C4'-P energy: -136.734 bonds (distance) P-C4' energy: -148.632 flat angles C4'-P-C4' energy: -129.920 flat angles P-C4'-P energy: -73.766 tors. eta vs tors. theta energy: 41.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3086.447969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.447969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.447969 (E_RNA) where: Base-Base interactions energy: -2117.619 where: short stacking energy: -874.035 Base-Backbone interact. energy: -3.231 local terms energy: -965.597374 where: bonds (distance) C4'-P energy: -178.301 bonds (distance) P-C4' energy: -174.430 flat angles C4'-P-C4' energy: -222.914 flat angles P-C4'-P energy: -136.200 tors. eta vs tors. theta energy: -253.752 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: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2950.455531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.455531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.455531 (E_RNA) where: Base-Base interactions energy: -2024.334 where: short stacking energy: -856.749 Base-Backbone interact. energy: -1.762 local terms energy: -924.358770 where: bonds (distance) C4'-P energy: -167.571 bonds (distance) P-C4' energy: -188.502 flat angles C4'-P-C4' energy: -202.411 flat angles P-C4'-P energy: -114.681 tors. eta vs tors. theta energy: -251.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2776.526100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.526100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.526100 (E_RNA) where: Base-Base interactions energy: -1876.182 where: short stacking energy: -815.350 Base-Backbone interact. energy: -1.286 local terms energy: -899.057687 where: bonds (distance) C4'-P energy: -161.569 bonds (distance) P-C4' energy: -182.561 flat angles C4'-P-C4' energy: -208.576 flat angles P-C4'-P energy: -114.708 tors. eta vs tors. theta energy: -231.643 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: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2548.665662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.665662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.665662 (E_RNA) where: Base-Base interactions energy: -1707.184 where: short stacking energy: -748.563 Base-Backbone interact. energy: 2.951 local terms energy: -844.432966 where: bonds (distance) C4'-P energy: -163.389 bonds (distance) P-C4' energy: -150.660 flat angles C4'-P-C4' energy: -192.896 flat angles P-C4'-P energy: -119.177 tors. eta vs tors. theta energy: -218.310 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: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2345.286484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.286484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.286484 (E_RNA) where: Base-Base interactions energy: -1540.330 where: short stacking energy: -684.342 Base-Backbone interact. energy: 0.479 local terms energy: -805.435496 where: bonds (distance) C4'-P energy: -155.531 bonds (distance) P-C4' energy: -162.131 flat angles C4'-P-C4' energy: -171.149 flat angles P-C4'-P energy: -136.025 tors. eta vs tors. theta energy: -180.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2078.506376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.506376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.506376 (E_RNA) where: Base-Base interactions energy: -1340.855 where: short stacking energy: -611.245 Base-Backbone interact. energy: -5.215 local terms energy: -732.436493 where: bonds (distance) C4'-P energy: -149.436 bonds (distance) P-C4' energy: -170.574 flat angles C4'-P-C4' energy: -144.829 flat angles P-C4'-P energy: -103.867 tors. eta vs tors. theta energy: -163.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1476.510516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.510516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.510516 (E_RNA) where: Base-Base interactions energy: -892.505 where: short stacking energy: -404.440 Base-Backbone interact. energy: 9.811 local terms energy: -593.816589 where: bonds (distance) C4'-P energy: -147.608 bonds (distance) P-C4' energy: -149.202 flat angles C4'-P-C4' energy: -152.720 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -36.977 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: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1385.321639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.321639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.321639 (E_RNA) where: Base-Base interactions energy: -797.594 where: short stacking energy: -374.170 Base-Backbone interact. energy: -2.295 local terms energy: -585.432203 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -159.316 flat angles C4'-P-C4' energy: -156.991 flat angles P-C4'-P energy: -94.126 tors. eta vs tors. theta energy: -54.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -922.951307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.951307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.951307 (E_RNA) where: Base-Base interactions energy: -415.140 where: short stacking energy: -238.347 Base-Backbone interact. energy: -0.249 local terms energy: -507.561560 where: bonds (distance) C4'-P energy: -139.264 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -147.973 flat angles P-C4'-P energy: -73.239 tors. eta vs tors. theta energy: 4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -782.801564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.801564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.801564 (E_RNA) where: Base-Base interactions energy: -341.579 where: short stacking energy: -210.922 Base-Backbone interact. energy: -2.086 local terms energy: -439.136119 where: bonds (distance) C4'-P energy: -165.644 bonds (distance) P-C4' energy: -152.303 flat angles C4'-P-C4' energy: -132.061 flat angles P-C4'-P energy: -32.751 tors. eta vs tors. theta energy: 43.623 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: 194 Temperature: 0.900000 Total energy: -3077.981960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.981960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.981960 (E_RNA) where: Base-Base interactions energy: -2090.201 where: short stacking energy: -865.726 Base-Backbone interact. energy: -2.033 local terms energy: -985.748429 where: bonds (distance) C4'-P energy: -182.659 bonds (distance) P-C4' energy: -204.089 flat angles C4'-P-C4' energy: -207.685 flat angles P-C4'-P energy: -139.962 tors. eta vs tors. theta energy: -251.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2933.685245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.685245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.685245 (E_RNA) where: Base-Base interactions energy: -2035.272 where: short stacking energy: -837.255 Base-Backbone interact. energy: -5.438 local terms energy: -892.975434 where: bonds (distance) C4'-P energy: -174.946 bonds (distance) P-C4' energy: -168.451 flat angles C4'-P-C4' energy: -202.417 flat angles P-C4'-P energy: -123.926 tors. eta vs tors. theta energy: -223.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2811.874119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.874119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.874119 (E_RNA) where: Base-Base interactions energy: -1887.398 where: short stacking energy: -837.760 Base-Backbone interact. energy: 1.507 local terms energy: -925.982902 where: bonds (distance) C4'-P energy: -190.124 bonds (distance) P-C4' energy: -187.820 flat angles C4'-P-C4' energy: -187.781 flat angles P-C4'-P energy: -119.548 tors. eta vs tors. theta energy: -240.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2556.817417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.817417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.817417 (E_RNA) where: Base-Base interactions energy: -1692.465 where: short stacking energy: -763.416 Base-Backbone interact. energy: 4.721 local terms energy: -869.072968 where: bonds (distance) C4'-P energy: -179.818 bonds (distance) P-C4' energy: -164.379 flat angles C4'-P-C4' energy: -205.321 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -210.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2370.273862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.273862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.273862 (E_RNA) where: Base-Base interactions energy: -1548.146 where: short stacking energy: -699.275 Base-Backbone interact. energy: -1.701 local terms energy: -820.427194 where: bonds (distance) C4'-P energy: -148.787 bonds (distance) P-C4' energy: -169.407 flat angles C4'-P-C4' energy: -187.951 flat angles P-C4'-P energy: -125.730 tors. eta vs tors. theta energy: -188.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2129.336357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.336357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.336357 (E_RNA) where: Base-Base interactions energy: -1399.653 where: short stacking energy: -608.776 Base-Backbone interact. energy: -0.428 local terms energy: -729.254936 where: bonds (distance) C4'-P energy: -151.109 bonds (distance) P-C4' energy: -152.155 flat angles C4'-P-C4' energy: -172.649 flat angles P-C4'-P energy: -104.857 tors. eta vs tors. theta energy: -148.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1533.425261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.425261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.425261 (E_RNA) where: Base-Base interactions energy: -899.770 where: short stacking energy: -432.474 Base-Backbone interact. energy: -3.325 local terms energy: -630.329951 where: bonds (distance) C4'-P energy: -145.598 bonds (distance) P-C4' energy: -168.908 flat angles C4'-P-C4' energy: -154.808 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -65.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1397.513671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.513671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.513671 (E_RNA) where: Base-Base interactions energy: -813.219 where: short stacking energy: -378.517 Base-Backbone interact. energy: 3.937 local terms energy: -588.231079 where: bonds (distance) C4'-P energy: -160.772 bonds (distance) P-C4' energy: -144.859 flat angles C4'-P-C4' energy: -145.320 flat angles P-C4'-P energy: -86.742 tors. eta vs tors. theta energy: -50.539 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: 194 Temperature: 1.300000 Total energy: -928.096248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.096248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.096248 (E_RNA) where: Base-Base interactions energy: -450.537 where: short stacking energy: -273.295 Base-Backbone interact. energy: 3.166 local terms energy: -480.725608 where: bonds (distance) C4'-P energy: -154.093 bonds (distance) P-C4' energy: -154.647 flat angles C4'-P-C4' energy: -113.808 flat angles P-C4'-P energy: -67.790 tors. eta vs tors. theta energy: 9.611 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: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -808.864691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.864691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.864691 (E_RNA) where: Base-Base interactions energy: -322.543 where: short stacking energy: -225.636 Base-Backbone interact. energy: -0.515 local terms energy: -485.807103 where: bonds (distance) C4'-P energy: -147.196 bonds (distance) P-C4' energy: -152.097 flat angles C4'-P-C4' energy: -115.535 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3091.966914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.966914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.966914 (E_RNA) where: Base-Base interactions energy: -2129.321 where: short stacking energy: -901.489 Base-Backbone interact. energy: -0.599 local terms energy: -962.047289 where: bonds (distance) C4'-P energy: -153.919 bonds (distance) P-C4' energy: -214.355 flat angles C4'-P-C4' energy: -213.990 flat angles P-C4'-P energy: -127.765 tors. eta vs tors. theta energy: -252.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2873.698966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.698966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.698966 (E_RNA) where: Base-Base interactions energy: -1984.616 where: short stacking energy: -835.366 Base-Backbone interact. energy: -5.814 local terms energy: -883.268439 where: bonds (distance) C4'-P energy: -175.054 bonds (distance) P-C4' energy: -168.881 flat angles C4'-P-C4' energy: -191.037 flat angles P-C4'-P energy: -129.655 tors. eta vs tors. theta energy: -218.642 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: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2754.941707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.941707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.941707 (E_RNA) where: Base-Base interactions energy: -1865.747 where: short stacking energy: -796.674 Base-Backbone interact. energy: -1.898 local terms energy: -887.297299 where: bonds (distance) C4'-P energy: -154.801 bonds (distance) P-C4' energy: -182.864 flat angles C4'-P-C4' energy: -186.829 flat angles P-C4'-P energy: -131.251 tors. eta vs tors. theta energy: -231.552 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: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2518.641921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.641921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.641921 (E_RNA) where: Base-Base interactions energy: -1642.871 where: short stacking energy: -717.669 Base-Backbone interact. energy: -3.833 local terms energy: -871.938183 where: bonds (distance) C4'-P energy: -168.550 bonds (distance) P-C4' energy: -176.509 flat angles C4'-P-C4' energy: -198.013 flat angles P-C4'-P energy: -116.551 tors. eta vs tors. theta energy: -212.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2383.928668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.928668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.928668 (E_RNA) where: Base-Base interactions energy: -1591.553 where: short stacking energy: -690.118 Base-Backbone interact. energy: 3.070 local terms energy: -795.445873 where: bonds (distance) C4'-P energy: -145.834 bonds (distance) P-C4' energy: -159.191 flat angles C4'-P-C4' energy: -175.133 flat angles P-C4'-P energy: -125.746 tors. eta vs tors. theta energy: -189.543 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: 195 Temperature: 1.150000 Total energy: -2121.480623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.480623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.480623 (E_RNA) where: Base-Base interactions energy: -1375.775 where: short stacking energy: -598.676 Base-Backbone interact. energy: -4.438 local terms energy: -741.267128 where: bonds (distance) C4'-P energy: -134.331 bonds (distance) P-C4' energy: -168.113 flat angles C4'-P-C4' energy: -163.423 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -165.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1541.915015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.915015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.915015 (E_RNA) where: Base-Base interactions energy: -897.331 where: short stacking energy: -403.068 Base-Backbone interact. energy: 1.183 local terms energy: -645.766681 where: bonds (distance) C4'-P energy: -133.470 bonds (distance) P-C4' energy: -194.671 flat angles C4'-P-C4' energy: -151.369 flat angles P-C4'-P energy: -103.705 tors. eta vs tors. theta energy: -62.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1311.680014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.680014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.680014 (E_RNA) where: Base-Base interactions energy: -782.980 where: short stacking energy: -357.020 Base-Backbone interact. energy: -0.355 local terms energy: -528.344970 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -146.237 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -41.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -878.832234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.832234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.832234 (E_RNA) where: Base-Base interactions energy: -371.985 where: short stacking energy: -209.722 Base-Backbone interact. energy: -2.807 local terms energy: -504.040316 where: bonds (distance) C4'-P energy: -152.952 bonds (distance) P-C4' energy: -153.865 flat angles C4'-P-C4' energy: -144.153 flat angles P-C4'-P energy: -66.315 tors. eta vs tors. theta energy: 13.245 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: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -777.817797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.817797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.817797 (E_RNA) where: Base-Base interactions energy: -316.436 where: short stacking energy: -208.058 Base-Backbone interact. energy: 3.003 local terms energy: -464.384387 where: bonds (distance) C4'-P energy: -125.687 bonds (distance) P-C4' energy: -135.697 flat angles C4'-P-C4' energy: -143.465 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3065.779930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.779930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.779930 (E_RNA) where: Base-Base interactions energy: -2102.635 where: short stacking energy: -877.475 Base-Backbone interact. energy: -0.862 local terms energy: -962.282774 where: bonds (distance) C4'-P energy: -188.148 bonds (distance) P-C4' energy: -191.222 flat angles C4'-P-C4' energy: -204.219 flat angles P-C4'-P energy: -127.790 tors. eta vs tors. theta energy: -250.903 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: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2903.724218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.724218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.724218 (E_RNA) where: Base-Base interactions energy: -2002.332 where: short stacking energy: -842.781 Base-Backbone interact. energy: -0.386 local terms energy: -901.005311 where: bonds (distance) C4'-P energy: -180.396 bonds (distance) P-C4' energy: -176.559 flat angles C4'-P-C4' energy: -204.347 flat angles P-C4'-P energy: -119.207 tors. eta vs tors. theta energy: -220.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2799.734443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.734443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.734443 (E_RNA) where: Base-Base interactions energy: -1927.961 where: short stacking energy: -815.244 Base-Backbone interact. energy: 3.958 local terms energy: -875.731792 where: bonds (distance) C4'-P energy: -160.297 bonds (distance) P-C4' energy: -176.379 flat angles C4'-P-C4' energy: -200.277 flat angles P-C4'-P energy: -120.615 tors. eta vs tors. theta energy: -218.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2542.582976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.582976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.582976 (E_RNA) where: Base-Base interactions energy: -1700.385 where: short stacking energy: -731.276 Base-Backbone interact. energy: 1.384 local terms energy: -843.582068 where: bonds (distance) C4'-P energy: -166.869 bonds (distance) P-C4' energy: -161.989 flat angles C4'-P-C4' energy: -193.300 flat angles P-C4'-P energy: -114.265 tors. eta vs tors. theta energy: -207.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2342.408284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.408284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.408284 (E_RNA) where: Base-Base interactions energy: -1590.779 where: short stacking energy: -695.433 Base-Backbone interact. energy: -2.019 local terms energy: -749.610851 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -165.162 flat angles C4'-P-C4' energy: -162.371 flat angles P-C4'-P energy: -116.496 tors. eta vs tors. theta energy: -183.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2121.522389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.522389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.522389 (E_RNA) where: Base-Base interactions energy: -1359.314 where: short stacking energy: -614.820 Base-Backbone interact. energy: -1.426 local terms energy: -760.782897 where: bonds (distance) C4'-P energy: -157.209 bonds (distance) P-C4' energy: -173.625 flat angles C4'-P-C4' energy: -173.701 flat angles P-C4'-P energy: -104.922 tors. eta vs tors. theta energy: -151.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1513.804913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.804913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.804913 (E_RNA) where: Base-Base interactions energy: -880.742 where: short stacking energy: -413.981 Base-Backbone interact. energy: -1.868 local terms energy: -631.194847 where: bonds (distance) C4'-P energy: -163.413 bonds (distance) P-C4' energy: -150.872 flat angles C4'-P-C4' energy: -152.941 flat angles P-C4'-P energy: -105.664 tors. eta vs tors. theta energy: -58.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1371.140492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.140492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.140492 (E_RNA) where: Base-Base interactions energy: -794.877 where: short stacking energy: -370.028 Base-Backbone interact. energy: 6.348 local terms energy: -582.611613 where: bonds (distance) C4'-P energy: -148.172 bonds (distance) P-C4' energy: -163.176 flat angles C4'-P-C4' energy: -136.053 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -57.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -864.408361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.408361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.408361 (E_RNA) where: Base-Base interactions energy: -364.902 where: short stacking energy: -261.658 Base-Backbone interact. energy: -1.128 local terms energy: -498.377870 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -151.708 flat angles C4'-P-C4' energy: -124.814 flat angles P-C4'-P energy: -78.176 tors. eta vs tors. theta energy: 2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -790.541730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.541730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.541730 (E_RNA) where: Base-Base interactions energy: -323.840 where: short stacking energy: -223.604 Base-Backbone interact. energy: 0.999 local terms energy: -467.700777 where: bonds (distance) C4'-P energy: -134.712 bonds (distance) P-C4' energy: -156.989 flat angles C4'-P-C4' energy: -126.316 flat angles P-C4'-P energy: -70.383 tors. eta vs tors. theta energy: 20.699 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: 197 Temperature: 0.900000 Total energy: -3100.638120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.638120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.638120 (E_RNA) where: Base-Base interactions energy: -2119.467 where: short stacking energy: -889.193 Base-Backbone interact. energy: -4.896 local terms energy: -976.275565 where: bonds (distance) C4'-P energy: -171.118 bonds (distance) P-C4' energy: -187.491 flat angles C4'-P-C4' energy: -202.718 flat angles P-C4'-P energy: -150.923 tors. eta vs tors. theta energy: -264.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2923.725600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.725600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.725600 (E_RNA) where: Base-Base interactions energy: -1995.806 where: short stacking energy: -842.784 Base-Backbone interact. energy: -3.061 local terms energy: -924.858937 where: bonds (distance) C4'-P energy: -178.430 bonds (distance) P-C4' energy: -192.999 flat angles C4'-P-C4' energy: -185.472 flat angles P-C4'-P energy: -137.970 tors. eta vs tors. theta energy: -229.988 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: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2766.953916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.953916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.953916 (E_RNA) where: Base-Base interactions energy: -1868.449 where: short stacking energy: -812.267 Base-Backbone interact. energy: 0.928 local terms energy: -899.432794 where: bonds (distance) C4'-P energy: -168.366 bonds (distance) P-C4' energy: -161.419 flat angles C4'-P-C4' energy: -200.843 flat angles P-C4'-P energy: -135.497 tors. eta vs tors. theta energy: -233.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2522.854260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.854260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.854260 (E_RNA) where: Base-Base interactions energy: -1709.455 where: short stacking energy: -719.253 Base-Backbone interact. energy: -3.855 local terms energy: -809.544228 where: bonds (distance) C4'-P energy: -147.336 bonds (distance) P-C4' energy: -172.750 flat angles C4'-P-C4' energy: -175.891 flat angles P-C4'-P energy: -122.032 tors. eta vs tors. theta energy: -191.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2374.152534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.152534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.152534 (E_RNA) where: Base-Base interactions energy: -1552.618 where: short stacking energy: -689.282 Base-Backbone interact. energy: 2.837 local terms energy: -824.370694 where: bonds (distance) C4'-P energy: -148.043 bonds (distance) P-C4' energy: -175.255 flat angles C4'-P-C4' energy: -174.521 flat angles P-C4'-P energy: -132.066 tors. eta vs tors. theta energy: -194.486 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: 197 Temperature: 1.150000 Total energy: -2178.598082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.598082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.598082 (E_RNA) where: Base-Base interactions energy: -1439.227 where: short stacking energy: -653.772 Base-Backbone interact. energy: -2.702 local terms energy: -736.668982 where: bonds (distance) C4'-P energy: -153.607 bonds (distance) P-C4' energy: -148.320 flat angles C4'-P-C4' energy: -175.957 flat angles P-C4'-P energy: -85.795 tors. eta vs tors. theta energy: -172.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1605.237271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.237271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.237271 (E_RNA) where: Base-Base interactions energy: -925.681 where: short stacking energy: -429.557 Base-Backbone interact. energy: 0.331 local terms energy: -679.887500 where: bonds (distance) C4'-P energy: -158.739 bonds (distance) P-C4' energy: -167.051 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -116.105 tors. eta vs tors. theta energy: -92.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1367.057628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.057628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.057628 (E_RNA) where: Base-Base interactions energy: -792.420 where: short stacking energy: -331.359 Base-Backbone interact. energy: -2.175 local terms energy: -572.462260 where: bonds (distance) C4'-P energy: -153.007 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -141.636 flat angles P-C4'-P energy: -89.771 tors. eta vs tors. theta energy: -40.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -875.606450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.606450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.606450 (E_RNA) where: Base-Base interactions energy: -395.567 where: short stacking energy: -282.308 Base-Backbone interact. energy: -4.629 local terms energy: -475.410278 where: bonds (distance) C4'-P energy: -146.357 bonds (distance) P-C4' energy: -137.413 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -76.543 tors. eta vs tors. theta energy: 1.611 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: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -731.031381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.031381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.031381 (E_RNA) where: Base-Base interactions energy: -275.199 where: short stacking energy: -176.657 Base-Backbone interact. energy: -0.194 local terms energy: -455.638553 where: bonds (distance) C4'-P energy: -155.749 bonds (distance) P-C4' energy: -149.461 flat angles C4'-P-C4' energy: -111.557 flat angles P-C4'-P energy: -70.731 tors. eta vs tors. theta energy: 31.860 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: 198 Temperature: 0.900000 Total energy: -3100.442263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.442263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.442263 (E_RNA) where: Base-Base interactions energy: -2142.217 where: short stacking energy: -896.437 Base-Backbone interact. energy: -2.245 local terms energy: -955.980043 where: bonds (distance) C4'-P energy: -176.446 bonds (distance) P-C4' energy: -173.369 flat angles C4'-P-C4' energy: -205.276 flat angles P-C4'-P energy: -136.015 tors. eta vs tors. theta energy: -264.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2924.765032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.765032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.765032 (E_RNA) where: Base-Base interactions energy: -1984.307 where: short stacking energy: -848.843 Base-Backbone interact. energy: -5.655 local terms energy: -934.803751 where: bonds (distance) C4'-P energy: -169.719 bonds (distance) P-C4' energy: -193.595 flat angles C4'-P-C4' energy: -195.962 flat angles P-C4'-P energy: -135.755 tors. eta vs tors. theta energy: -239.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2730.984506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.984506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.984506 (E_RNA) where: Base-Base interactions energy: -1813.086 where: short stacking energy: -800.113 Base-Backbone interact. energy: -0.625 local terms energy: -917.274222 where: bonds (distance) C4'-P energy: -189.521 bonds (distance) P-C4' energy: -166.811 flat angles C4'-P-C4' energy: -203.523 flat angles P-C4'-P energy: -120.697 tors. eta vs tors. theta energy: -236.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2613.769499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.769499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.769499 (E_RNA) where: Base-Base interactions energy: -1766.832 where: short stacking energy: -802.840 Base-Backbone interact. energy: -1.946 local terms energy: -844.991359 where: bonds (distance) C4'-P energy: -163.961 bonds (distance) P-C4' energy: -139.685 flat angles C4'-P-C4' energy: -186.219 flat angles P-C4'-P energy: -121.475 tors. eta vs tors. theta energy: -233.651 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: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2435.710629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.710629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.710629 (E_RNA) where: Base-Base interactions energy: -1601.603 where: short stacking energy: -704.543 Base-Backbone interact. energy: -3.552 local terms energy: -830.555033 where: bonds (distance) C4'-P energy: -170.841 bonds (distance) P-C4' energy: -178.032 flat angles C4'-P-C4' energy: -168.580 flat angles P-C4'-P energy: -122.427 tors. eta vs tors. theta energy: -190.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2089.422364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.422364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.422364 (E_RNA) where: Base-Base interactions energy: -1338.305 where: short stacking energy: -611.216 Base-Backbone interact. energy: -2.524 local terms energy: -748.593872 where: bonds (distance) C4'-P energy: -156.575 bonds (distance) P-C4' energy: -155.562 flat angles C4'-P-C4' energy: -180.549 flat angles P-C4'-P energy: -107.251 tors. eta vs tors. theta energy: -148.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1548.644339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.644339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.644339 (E_RNA) where: Base-Base interactions energy: -929.801 where: short stacking energy: -432.560 Base-Backbone interact. energy: 0.444 local terms energy: -619.287277 where: bonds (distance) C4'-P energy: -162.916 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -147.460 flat angles P-C4'-P energy: -90.477 tors. eta vs tors. theta energy: -72.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1328.381238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.381238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.381238 (E_RNA) where: Base-Base interactions energy: -762.079 where: short stacking energy: -368.136 Base-Backbone interact. energy: -2.279 local terms energy: -564.023387 where: bonds (distance) C4'-P energy: -132.915 bonds (distance) P-C4' energy: -168.630 flat angles C4'-P-C4' energy: -135.375 flat angles P-C4'-P energy: -82.952 tors. eta vs tors. theta energy: -44.151 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: 198 Temperature: 1.300000 Total energy: -873.726870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.726870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.726870 (E_RNA) where: Base-Base interactions energy: -362.789 where: short stacking energy: -246.406 Base-Backbone interact. energy: 4.930 local terms energy: -515.868148 where: bonds (distance) C4'-P energy: -135.116 bonds (distance) P-C4' energy: -168.588 flat angles C4'-P-C4' energy: -129.545 flat angles P-C4'-P energy: -90.275 tors. eta vs tors. theta energy: 7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -748.039709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.039709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.039709 (E_RNA) where: Base-Base interactions energy: -275.177 where: short stacking energy: -191.190 Base-Backbone interact. energy: 1.530 local terms energy: -474.392968 where: bonds (distance) C4'-P energy: -150.919 bonds (distance) P-C4' energy: -169.314 flat angles C4'-P-C4' energy: -123.626 flat angles P-C4'-P energy: -75.617 tors. eta vs tors. theta energy: 45.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3089.182052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.182052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.182052 (E_RNA) where: Base-Base interactions energy: -2139.693 where: short stacking energy: -909.971 Base-Backbone interact. energy: 3.033 local terms energy: -952.521462 where: bonds (distance) C4'-P energy: -178.614 bonds (distance) P-C4' energy: -159.441 flat angles C4'-P-C4' energy: -213.871 flat angles P-C4'-P energy: -130.220 tors. eta vs tors. theta energy: -270.375 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2993.357346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.357346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.357346 (E_RNA) where: Base-Base interactions energy: -2046.333 where: short stacking energy: -872.874 Base-Backbone interact. energy: -5.205 local terms energy: -941.819029 where: bonds (distance) C4'-P energy: -171.218 bonds (distance) P-C4' energy: -179.459 flat angles C4'-P-C4' energy: -208.675 flat angles P-C4'-P energy: -137.988 tors. eta vs tors. theta energy: -244.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2730.897294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.897294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.897294 (E_RNA) where: Base-Base interactions energy: -1878.955 where: short stacking energy: -821.632 Base-Backbone interact. energy: 0.519 local terms energy: -852.461195 where: bonds (distance) C4'-P energy: -136.537 bonds (distance) P-C4' energy: -168.954 flat angles C4'-P-C4' energy: -191.451 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -235.632 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: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2582.094168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.094168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.094168 (E_RNA) where: Base-Base interactions energy: -1733.090 where: short stacking energy: -789.923 Base-Backbone interact. energy: -1.523 local terms energy: -847.480981 where: bonds (distance) C4'-P energy: -175.227 bonds (distance) P-C4' energy: -154.940 flat angles C4'-P-C4' energy: -184.154 flat angles P-C4'-P energy: -109.506 tors. eta vs tors. theta energy: -223.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2366.668687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.668687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.668687 (E_RNA) where: Base-Base interactions energy: -1569.765 where: short stacking energy: -667.746 Base-Backbone interact. energy: 2.948 local terms energy: -799.851270 where: bonds (distance) C4'-P energy: -163.747 bonds (distance) P-C4' energy: -161.704 flat angles C4'-P-C4' energy: -190.882 flat angles P-C4'-P energy: -107.278 tors. eta vs tors. theta energy: -176.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2121.149953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.149953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.149953 (E_RNA) where: Base-Base interactions energy: -1362.930 where: short stacking energy: -608.007 Base-Backbone interact. energy: 2.785 local terms energy: -761.005147 where: bonds (distance) C4'-P energy: -149.885 bonds (distance) P-C4' energy: -163.307 flat angles C4'-P-C4' energy: -172.918 flat angles P-C4'-P energy: -115.241 tors. eta vs tors. theta energy: -159.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1575.442825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.442825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.442825 (E_RNA) where: Base-Base interactions energy: -933.074 where: short stacking energy: -449.974 Base-Backbone interact. energy: 1.722 local terms energy: -644.091607 where: bonds (distance) C4'-P energy: -138.445 bonds (distance) P-C4' energy: -183.311 flat angles C4'-P-C4' energy: -141.879 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -81.194 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: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1305.005587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.005587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.005587 (E_RNA) where: Base-Base interactions energy: -728.982 where: short stacking energy: -341.172 Base-Backbone interact. energy: -0.985 local terms energy: -575.039037 where: bonds (distance) C4'-P energy: -146.733 bonds (distance) P-C4' energy: -169.355 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -23.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -826.556405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.556405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.556405 (E_RNA) where: Base-Base interactions energy: -326.268 where: short stacking energy: -243.495 Base-Backbone interact. energy: 1.281 local terms energy: -501.569633 where: bonds (distance) C4'-P energy: -157.753 bonds (distance) P-C4' energy: -164.832 flat angles C4'-P-C4' energy: -127.761 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: 16.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -751.828043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.828043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.828043 (E_RNA) where: Base-Base interactions energy: -333.188 where: short stacking energy: -213.697 Base-Backbone interact. energy: -1.691 local terms energy: -416.949143 where: bonds (distance) C4'-P energy: -136.488 bonds (distance) P-C4' energy: -155.012 flat angles C4'-P-C4' energy: -122.755 flat angles P-C4'-P energy: -44.722 tors. eta vs tors. theta energy: 42.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3056.283646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.283646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.283646 (E_RNA) where: Base-Base interactions energy: -2100.518 where: short stacking energy: -890.578 Base-Backbone interact. energy: -5.220 local terms energy: -950.545621 where: bonds (distance) C4'-P energy: -179.893 bonds (distance) P-C4' energy: -189.192 flat angles C4'-P-C4' energy: -202.887 flat angles P-C4'-P energy: -133.147 tors. eta vs tors. theta energy: -245.426 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: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2942.486660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.486660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.486660 (E_RNA) where: Base-Base interactions energy: -2050.355 where: short stacking energy: -871.604 Base-Backbone interact. energy: 0.513 local terms energy: -892.644362 where: bonds (distance) C4'-P energy: -165.487 bonds (distance) P-C4' energy: -164.078 flat angles C4'-P-C4' energy: -196.648 flat angles P-C4'-P energy: -139.087 tors. eta vs tors. theta energy: -227.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2716.281628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.281628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.281628 (E_RNA) where: Base-Base interactions energy: -1859.238 where: short stacking energy: -799.721 Base-Backbone interact. energy: 1.068 local terms energy: -858.110928 where: bonds (distance) C4'-P energy: -153.251 bonds (distance) P-C4' energy: -173.350 flat angles C4'-P-C4' energy: -186.872 flat angles P-C4'-P energy: -114.090 tors. eta vs tors. theta energy: -230.549 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: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2571.362163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.362163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.362163 (E_RNA) where: Base-Base interactions energy: -1723.319 where: short stacking energy: -771.864 Base-Backbone interact. energy: -4.391 local terms energy: -843.652347 where: bonds (distance) C4'-P energy: -160.285 bonds (distance) P-C4' energy: -160.885 flat angles C4'-P-C4' energy: -185.249 flat angles P-C4'-P energy: -126.053 tors. eta vs tors. theta energy: -211.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2363.258103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.258103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.258103 (E_RNA) where: Base-Base interactions energy: -1568.005 where: short stacking energy: -700.472 Base-Backbone interact. energy: -1.363 local terms energy: -793.890651 where: bonds (distance) C4'-P energy: -142.591 bonds (distance) P-C4' energy: -155.562 flat angles C4'-P-C4' energy: -192.836 flat angles P-C4'-P energy: -106.068 tors. eta vs tors. theta energy: -196.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2083.748395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.748395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.748395 (E_RNA) where: Base-Base interactions energy: -1356.324 where: short stacking energy: -596.457 Base-Backbone interact. energy: 1.931 local terms energy: -729.355094 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -177.590 flat angles C4'-P-C4' energy: -155.395 flat angles P-C4'-P energy: -112.175 tors. eta vs tors. theta energy: -136.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1588.282198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.282198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.282198 (E_RNA) where: Base-Base interactions energy: -963.052 where: short stacking energy: -495.426 Base-Backbone interact. energy: -1.753 local terms energy: -623.477546 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -154.388 flat angles C4'-P-C4' energy: -146.874 flat angles P-C4'-P energy: -92.492 tors. eta vs tors. theta energy: -87.910 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: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1292.722385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.722385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.722385 (E_RNA) where: Base-Base interactions energy: -725.404 where: short stacking energy: -339.672 Base-Backbone interact. energy: 3.630 local terms energy: -570.949075 where: bonds (distance) C4'-P energy: -129.148 bonds (distance) P-C4' energy: -176.681 flat angles C4'-P-C4' energy: -143.487 flat angles P-C4'-P energy: -88.972 tors. eta vs tors. theta energy: -32.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -794.610256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.610256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.610256 (E_RNA) where: Base-Base interactions energy: -304.275 where: short stacking energy: -170.598 Base-Backbone interact. energy: -2.344 local terms energy: -487.991638 where: bonds (distance) C4'-P energy: -148.297 bonds (distance) P-C4' energy: -160.135 flat angles C4'-P-C4' energy: -132.559 flat angles P-C4'-P energy: -66.116 tors. eta vs tors. theta energy: 19.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -719.815724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.815724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.815724 (E_RNA) where: Base-Base interactions energy: -239.407 where: short stacking energy: -183.429 Base-Backbone interact. energy: -1.037 local terms energy: -479.371884 where: bonds (distance) C4'-P energy: -158.016 bonds (distance) P-C4' energy: -167.774 flat angles C4'-P-C4' energy: -100.279 flat angles P-C4'-P energy: -94.622 tors. eta vs tors. theta energy: 41.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3063.007217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.007217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.007217 (E_RNA) where: Base-Base interactions energy: -2135.089 where: short stacking energy: -848.914 Base-Backbone interact. energy: -4.574 local terms energy: -923.344183 where: bonds (distance) C4'-P energy: -191.063 bonds (distance) P-C4' energy: -171.453 flat angles C4'-P-C4' energy: -192.936 flat angles P-C4'-P energy: -132.901 tors. eta vs tors. theta energy: -234.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2882.503683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.503683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.503683 (E_RNA) where: Base-Base interactions energy: -2006.869 where: short stacking energy: -823.758 Base-Backbone interact. energy: -1.582 local terms energy: -874.052793 where: bonds (distance) C4'-P energy: -148.984 bonds (distance) P-C4' energy: -185.736 flat angles C4'-P-C4' energy: -200.595 flat angles P-C4'-P energy: -120.206 tors. eta vs tors. theta energy: -218.532 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: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2748.759201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.759201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.759201 (E_RNA) where: Base-Base interactions energy: -1857.808 where: short stacking energy: -844.204 Base-Backbone interact. energy: 3.459 local terms energy: -894.411008 where: bonds (distance) C4'-P energy: -179.079 bonds (distance) P-C4' energy: -184.726 flat angles C4'-P-C4' energy: -193.182 flat angles P-C4'-P energy: -103.227 tors. eta vs tors. theta energy: -234.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2599.844956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.844956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.844956 (E_RNA) where: Base-Base interactions energy: -1713.977 where: short stacking energy: -761.771 Base-Backbone interact. energy: 0.708 local terms energy: -886.575329 where: bonds (distance) C4'-P energy: -168.617 bonds (distance) P-C4' energy: -192.683 flat angles C4'-P-C4' energy: -188.259 flat angles P-C4'-P energy: -115.777 tors. eta vs tors. theta energy: -221.238 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: 5, replica: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2336.705832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.705832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.705832 (E_RNA) where: Base-Base interactions energy: -1527.238 where: short stacking energy: -665.976 Base-Backbone interact. energy: -3.285 local terms energy: -806.182581 where: bonds (distance) C4'-P energy: -170.110 bonds (distance) P-C4' energy: -169.120 flat angles C4'-P-C4' energy: -169.612 flat angles P-C4'-P energy: -117.173 tors. eta vs tors. theta energy: -180.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2029.996319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.996319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.996319 (E_RNA) where: Base-Base interactions energy: -1297.849 where: short stacking energy: -606.944 Base-Backbone interact. energy: -1.293 local terms energy: -730.854936 where: bonds (distance) C4'-P energy: -143.771 bonds (distance) P-C4' energy: -141.051 flat angles C4'-P-C4' energy: -157.420 flat angles P-C4'-P energy: -124.618 tors. eta vs tors. theta energy: -163.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1608.624202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.624202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.624202 (E_RNA) where: Base-Base interactions energy: -976.107 where: short stacking energy: -459.710 Base-Backbone interact. energy: -1.026 local terms energy: -631.491745 where: bonds (distance) C4'-P energy: -138.766 bonds (distance) P-C4' energy: -171.526 flat angles C4'-P-C4' energy: -160.983 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -69.688 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: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1316.139752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.139752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.139752 (E_RNA) where: Base-Base interactions energy: -749.097 where: short stacking energy: -404.676 Base-Backbone interact. energy: -2.414 local terms energy: -564.629223 where: bonds (distance) C4'-P energy: -124.979 bonds (distance) P-C4' energy: -155.125 flat angles C4'-P-C4' energy: -137.713 flat angles P-C4'-P energy: -94.806 tors. eta vs tors. theta energy: -52.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -887.185101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.185101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.185101 (E_RNA) where: Base-Base interactions energy: -363.196 where: short stacking energy: -261.331 Base-Backbone interact. energy: -2.104 local terms energy: -521.884770 where: bonds (distance) C4'-P energy: -140.186 bonds (distance) P-C4' energy: -154.958 flat angles C4'-P-C4' energy: -136.619 flat angles P-C4'-P energy: -101.041 tors. eta vs tors. theta energy: 10.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -776.301760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.301760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.301760 (E_RNA) where: Base-Base interactions energy: -299.525 where: short stacking energy: -230.487 Base-Backbone interact. energy: 3.671 local terms energy: -480.447999 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -168.675 flat angles C4'-P-C4' energy: -142.342 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: 24.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3090.069027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.069027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.069027 (E_RNA) where: Base-Base interactions energy: -2119.984 where: short stacking energy: -864.061 Base-Backbone interact. energy: -2.850 local terms energy: -967.235366 where: bonds (distance) C4'-P energy: -175.606 bonds (distance) P-C4' energy: -184.634 flat angles C4'-P-C4' energy: -210.685 flat angles P-C4'-P energy: -152.395 tors. eta vs tors. theta energy: -243.916 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: 202 Temperature: 0.950000 Total energy: -2918.015386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.015386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.015386 (E_RNA) where: Base-Base interactions energy: -2014.627 where: short stacking energy: -862.431 Base-Backbone interact. energy: 0.696 local terms energy: -904.085095 where: bonds (distance) C4'-P energy: -158.791 bonds (distance) P-C4' energy: -159.418 flat angles C4'-P-C4' energy: -206.442 flat angles P-C4'-P energy: -132.412 tors. eta vs tors. theta energy: -247.022 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: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2760.523619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.523619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.523619 (E_RNA) where: Base-Base interactions energy: -1841.133 where: short stacking energy: -795.333 Base-Backbone interact. energy: -1.761 local terms energy: -917.629097 where: bonds (distance) C4'-P energy: -166.851 bonds (distance) P-C4' energy: -174.958 flat angles C4'-P-C4' energy: -202.717 flat angles P-C4'-P energy: -141.641 tors. eta vs tors. theta energy: -231.462 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: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2580.806678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.806678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.806678 (E_RNA) where: Base-Base interactions energy: -1711.545 where: short stacking energy: -780.603 Base-Backbone interact. energy: -2.138 local terms energy: -867.124031 where: bonds (distance) C4'-P energy: -163.733 bonds (distance) P-C4' energy: -176.179 flat angles C4'-P-C4' energy: -194.148 flat angles P-C4'-P energy: -132.421 tors. eta vs tors. theta energy: -200.642 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: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2381.090558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.090558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.090558 (E_RNA) where: Base-Base interactions energy: -1571.541 where: short stacking energy: -674.002 Base-Backbone interact. energy: -1.037 local terms energy: -808.512665 where: bonds (distance) C4'-P energy: -147.871 bonds (distance) P-C4' energy: -160.542 flat angles C4'-P-C4' energy: -185.305 flat angles P-C4'-P energy: -128.195 tors. eta vs tors. theta energy: -186.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2127.225847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.225847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.225847 (E_RNA) where: Base-Base interactions energy: -1382.953 where: short stacking energy: -626.385 Base-Backbone interact. energy: -0.126 local terms energy: -744.147029 where: bonds (distance) C4'-P energy: -162.239 bonds (distance) P-C4' energy: -160.761 flat angles C4'-P-C4' energy: -164.195 flat angles P-C4'-P energy: -96.778 tors. eta vs tors. theta energy: -160.174 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: 202 Temperature: 1.200000 Total energy: -1517.524840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.524840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.524840 (E_RNA) where: Base-Base interactions energy: -899.106 where: short stacking energy: -401.619 Base-Backbone interact. energy: -2.751 local terms energy: -615.667891 where: bonds (distance) C4'-P energy: -143.724 bonds (distance) P-C4' energy: -160.014 flat angles C4'-P-C4' energy: -144.907 flat angles P-C4'-P energy: -99.203 tors. eta vs tors. theta energy: -67.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1358.816265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.816265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.816265 (E_RNA) where: Base-Base interactions energy: -805.426 where: short stacking energy: -385.813 Base-Backbone interact. energy: 1.232 local terms energy: -554.622985 where: bonds (distance) C4'-P energy: -140.863 bonds (distance) P-C4' energy: -156.871 flat angles C4'-P-C4' energy: -131.030 flat angles P-C4'-P energy: -72.568 tors. eta vs tors. theta energy: -53.292 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: 202 Temperature: 1.300000 Total energy: -837.200402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.200402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.200402 (E_RNA) where: Base-Base interactions energy: -365.890 where: short stacking energy: -222.263 Base-Backbone interact. energy: -0.182 local terms energy: -471.128444 where: bonds (distance) C4'-P energy: -153.152 bonds (distance) P-C4' energy: -166.014 flat angles C4'-P-C4' energy: -105.642 flat angles P-C4'-P energy: -70.819 tors. eta vs tors. theta energy: 24.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -741.548772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.548772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.548772 (E_RNA) where: Base-Base interactions energy: -305.551 where: short stacking energy: -207.967 Base-Backbone interact. energy: 5.122 local terms energy: -441.119674 where: bonds (distance) C4'-P energy: -138.079 bonds (distance) P-C4' energy: -151.857 flat angles C4'-P-C4' energy: -116.817 flat angles P-C4'-P energy: -71.292 tors. eta vs tors. theta energy: 36.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3090.120450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.120450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.120450 (E_RNA) where: Base-Base interactions energy: -2150.526 where: short stacking energy: -905.397 Base-Backbone interact. energy: 0.385 local terms energy: -939.978943 where: bonds (distance) C4'-P energy: -177.135 bonds (distance) P-C4' energy: -185.977 flat angles C4'-P-C4' energy: -201.825 flat angles P-C4'-P energy: -132.855 tors. eta vs tors. theta energy: -242.187 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: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2946.411787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.411787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.411787 (E_RNA) where: Base-Base interactions energy: -2053.359 where: short stacking energy: -867.831 Base-Backbone interact. energy: -8.660 local terms energy: -884.393277 where: bonds (distance) C4'-P energy: -174.908 bonds (distance) P-C4' energy: -169.028 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -121.576 tors. eta vs tors. theta energy: -237.453 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: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2766.239840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.239840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.239840 (E_RNA) where: Base-Base interactions energy: -1854.803 where: short stacking energy: -797.050 Base-Backbone interact. energy: -3.566 local terms energy: -907.870641 where: bonds (distance) C4'-P energy: -180.349 bonds (distance) P-C4' energy: -185.511 flat angles C4'-P-C4' energy: -203.611 flat angles P-C4'-P energy: -129.337 tors. eta vs tors. theta energy: -209.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2591.654480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.654480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.654480 (E_RNA) where: Base-Base interactions energy: -1713.667 where: short stacking energy: -758.344 Base-Backbone interact. energy: -2.182 local terms energy: -875.805759 where: bonds (distance) C4'-P energy: -177.875 bonds (distance) P-C4' energy: -178.854 flat angles C4'-P-C4' energy: -204.594 flat angles P-C4'-P energy: -104.508 tors. eta vs tors. theta energy: -209.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2431.322350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.322350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.322350 (E_RNA) where: Base-Base interactions energy: -1641.069 where: short stacking energy: -717.817 Base-Backbone interact. energy: -3.914 local terms energy: -786.339459 where: bonds (distance) C4'-P energy: -157.538 bonds (distance) P-C4' energy: -147.160 flat angles C4'-P-C4' energy: -175.441 flat angles P-C4'-P energy: -115.760 tors. eta vs tors. theta energy: -190.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2115.514276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.514276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.514276 (E_RNA) where: Base-Base interactions energy: -1336.832 where: short stacking energy: -599.516 Base-Backbone interact. energy: 0.978 local terms energy: -779.660554 where: bonds (distance) C4'-P energy: -153.352 bonds (distance) P-C4' energy: -175.511 flat angles C4'-P-C4' energy: -178.089 flat angles P-C4'-P energy: -110.564 tors. eta vs tors. theta energy: -162.144 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: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1537.454746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.454746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.454746 (E_RNA) where: Base-Base interactions energy: -898.608 where: short stacking energy: -438.863 Base-Backbone interact. energy: -3.989 local terms energy: -634.857717 where: bonds (distance) C4'-P energy: -150.108 bonds (distance) P-C4' energy: -156.340 flat angles C4'-P-C4' energy: -162.051 flat angles P-C4'-P energy: -108.048 tors. eta vs tors. theta energy: -58.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1344.420344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.420344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.420344 (E_RNA) where: Base-Base interactions energy: -754.744 where: short stacking energy: -371.195 Base-Backbone interact. energy: -1.891 local terms energy: -587.785296 where: bonds (distance) C4'-P energy: -136.258 bonds (distance) P-C4' energy: -163.578 flat angles C4'-P-C4' energy: -143.052 flat angles P-C4'-P energy: -93.923 tors. eta vs tors. theta energy: -50.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -937.872243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.872243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.872243 (E_RNA) where: Base-Base interactions energy: -430.215 where: short stacking energy: -271.712 Base-Backbone interact. energy: 2.655 local terms energy: -510.311640 where: bonds (distance) C4'-P energy: -114.411 bonds (distance) P-C4' energy: -155.646 flat angles C4'-P-C4' energy: -143.574 flat angles P-C4'-P energy: -85.367 tors. eta vs tors. theta energy: -11.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -752.708785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.708785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.708785 (E_RNA) where: Base-Base interactions energy: -313.231 where: short stacking energy: -222.562 Base-Backbone interact. energy: 0.742 local terms energy: -440.219885 where: bonds (distance) C4'-P energy: -113.559 bonds (distance) P-C4' energy: -165.904 flat angles C4'-P-C4' energy: -151.786 flat angles P-C4'-P energy: -46.016 tors. eta vs tors. theta energy: 37.045 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: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3104.876610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.876610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.876610 (E_RNA) where: Base-Base interactions energy: -2123.866 where: short stacking energy: -885.561 Base-Backbone interact. energy: -2.457 local terms energy: -978.553831 where: bonds (distance) C4'-P energy: -179.061 bonds (distance) P-C4' energy: -184.191 flat angles C4'-P-C4' energy: -221.489 flat angles P-C4'-P energy: -136.993 tors. eta vs tors. theta energy: -256.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2973.330217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.330217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.330217 (E_RNA) where: Base-Base interactions energy: -2087.537 where: short stacking energy: -845.394 Base-Backbone interact. energy: -9.280 local terms energy: -876.513275 where: bonds (distance) C4'-P energy: -179.481 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -186.853 flat angles P-C4'-P energy: -123.546 tors. eta vs tors. theta energy: -234.397 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: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2772.539172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.539172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.539172 (E_RNA) where: Base-Base interactions energy: -1875.639 where: short stacking energy: -827.331 Base-Backbone interact. energy: -2.719 local terms energy: -894.181285 where: bonds (distance) C4'-P energy: -167.716 bonds (distance) P-C4' energy: -158.423 flat angles C4'-P-C4' energy: -203.318 flat angles P-C4'-P energy: -130.388 tors. eta vs tors. theta energy: -234.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2609.765908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.765908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.765908 (E_RNA) where: Base-Base interactions energy: -1761.951 where: short stacking energy: -771.962 Base-Backbone interact. energy: 0.399 local terms energy: -848.214000 where: bonds (distance) C4'-P energy: -162.383 bonds (distance) P-C4' energy: -170.752 flat angles C4'-P-C4' energy: -182.782 flat angles P-C4'-P energy: -107.395 tors. eta vs tors. theta energy: -224.902 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: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2336.400020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.400020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.400020 (E_RNA) where: Base-Base interactions energy: -1511.864 where: short stacking energy: -696.361 Base-Backbone interact. energy: 1.401 local terms energy: -825.937625 where: bonds (distance) C4'-P energy: -174.703 bonds (distance) P-C4' energy: -150.701 flat angles C4'-P-C4' energy: -179.756 flat angles P-C4'-P energy: -125.504 tors. eta vs tors. theta energy: -195.274 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: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2044.951118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.951118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.951118 (E_RNA) where: Base-Base interactions energy: -1292.049 where: short stacking energy: -571.921 Base-Backbone interact. energy: -1.751 local terms energy: -751.151360 where: bonds (distance) C4'-P energy: -151.096 bonds (distance) P-C4' energy: -165.643 flat angles C4'-P-C4' energy: -176.914 flat angles P-C4'-P energy: -114.061 tors. eta vs tors. theta energy: -143.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1619.454698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.454698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.454698 (E_RNA) where: Base-Base interactions energy: -963.032 where: short stacking energy: -437.793 Base-Backbone interact. energy: 4.933 local terms energy: -661.356062 where: bonds (distance) C4'-P energy: -164.891 bonds (distance) P-C4' energy: -169.833 flat angles C4'-P-C4' energy: -157.750 flat angles P-C4'-P energy: -94.146 tors. eta vs tors. theta energy: -74.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1411.743364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.743364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.743364 (E_RNA) where: Base-Base interactions energy: -821.962 where: short stacking energy: -424.595 Base-Backbone interact. energy: -1.624 local terms energy: -588.156878 where: bonds (distance) C4'-P energy: -138.379 bonds (distance) P-C4' energy: -125.979 flat angles C4'-P-C4' energy: -136.887 flat angles P-C4'-P energy: -107.724 tors. eta vs tors. theta energy: -79.188 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: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -815.285860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.285860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.285860 (E_RNA) where: Base-Base interactions energy: -372.769 where: short stacking energy: -228.722 Base-Backbone interact. energy: -1.748 local terms energy: -440.769203 where: bonds (distance) C4'-P energy: -140.457 bonds (distance) P-C4' energy: -170.071 flat angles C4'-P-C4' energy: -107.148 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: 49.058 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: 204 Temperature: 1.350000 Total energy: -735.283124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.283124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.283124 (E_RNA) where: Base-Base interactions energy: -268.461 where: short stacking energy: -200.213 Base-Backbone interact. energy: -2.562 local terms energy: -464.259577 where: bonds (distance) C4'-P energy: -128.348 bonds (distance) P-C4' energy: -142.520 flat angles C4'-P-C4' energy: -145.828 flat angles P-C4'-P energy: -68.984 tors. eta vs tors. theta energy: 21.420 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: 205 Temperature: 0.900000 Total energy: -3073.408712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.408712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.408712 (E_RNA) where: Base-Base interactions energy: -2088.464 where: short stacking energy: -869.739 Base-Backbone interact. energy: -5.134 local terms energy: -979.811158 where: bonds (distance) C4'-P energy: -191.500 bonds (distance) P-C4' energy: -181.028 flat angles C4'-P-C4' energy: -210.111 flat angles P-C4'-P energy: -139.156 tors. eta vs tors. theta energy: -258.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2932.277177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.277177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.277177 (E_RNA) where: Base-Base interactions energy: -2005.610 where: short stacking energy: -835.008 Base-Backbone interact. energy: -2.256 local terms energy: -924.411159 where: bonds (distance) C4'-P energy: -189.422 bonds (distance) P-C4' energy: -159.887 flat angles C4'-P-C4' energy: -203.659 flat angles P-C4'-P energy: -129.787 tors. eta vs tors. theta energy: -241.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2766.340069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.340069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.340069 (E_RNA) where: Base-Base interactions energy: -1853.737 where: short stacking energy: -812.694 Base-Backbone interact. energy: -1.169 local terms energy: -911.434487 where: bonds (distance) C4'-P energy: -158.945 bonds (distance) P-C4' energy: -186.805 flat angles C4'-P-C4' energy: -194.557 flat angles P-C4'-P energy: -133.112 tors. eta vs tors. theta energy: -238.014 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: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2555.641236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.641236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.641236 (E_RNA) where: Base-Base interactions energy: -1708.206 where: short stacking energy: -730.191 Base-Backbone interact. energy: 4.810 local terms energy: -852.245385 where: bonds (distance) C4'-P energy: -164.952 bonds (distance) P-C4' energy: -179.801 flat angles C4'-P-C4' energy: -190.966 flat angles P-C4'-P energy: -130.195 tors. eta vs tors. theta energy: -186.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2326.004016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.004016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.004016 (E_RNA) where: Base-Base interactions energy: -1517.363 where: short stacking energy: -668.958 Base-Backbone interact. energy: -0.627 local terms energy: -808.013921 where: bonds (distance) C4'-P energy: -145.974 bonds (distance) P-C4' energy: -163.192 flat angles C4'-P-C4' energy: -194.016 flat angles P-C4'-P energy: -116.589 tors. eta vs tors. theta energy: -188.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2066.711625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.711625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.711625 (E_RNA) where: Base-Base interactions energy: -1331.186 where: short stacking energy: -591.608 Base-Backbone interact. energy: 3.297 local terms energy: -738.823097 where: bonds (distance) C4'-P energy: -172.371 bonds (distance) P-C4' energy: -158.481 flat angles C4'-P-C4' energy: -160.758 flat angles P-C4'-P energy: -91.963 tors. eta vs tors. theta energy: -155.250 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: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1569.479207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.479207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.479207 (E_RNA) where: Base-Base interactions energy: -931.118 where: short stacking energy: -419.639 Base-Backbone interact. energy: -0.475 local terms energy: -637.886588 where: bonds (distance) C4'-P energy: -155.985 bonds (distance) P-C4' energy: -167.503 flat angles C4'-P-C4' energy: -163.956 flat angles P-C4'-P energy: -79.099 tors. eta vs tors. theta energy: -71.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1378.074889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.074889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.074889 (E_RNA) where: Base-Base interactions energy: -832.192 where: short stacking energy: -396.220 Base-Backbone interact. energy: -2.438 local terms energy: -543.444957 where: bonds (distance) C4'-P energy: -140.648 bonds (distance) P-C4' energy: -140.296 flat angles C4'-P-C4' energy: -123.144 flat angles P-C4'-P energy: -93.043 tors. eta vs tors. theta energy: -46.314 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: 205 Temperature: 1.300000 Total energy: -878.894648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.894648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.894648 (E_RNA) where: Base-Base interactions energy: -351.365 where: short stacking energy: -256.024 Base-Backbone interact. energy: 0.216 local terms energy: -527.746239 where: bonds (distance) C4'-P energy: -165.028 bonds (distance) P-C4' energy: -145.848 flat angles C4'-P-C4' energy: -114.616 flat angles P-C4'-P energy: -89.051 tors. eta vs tors. theta energy: -13.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -754.247893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.247893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.247893 (E_RNA) where: Base-Base interactions energy: -286.317 where: short stacking energy: -209.539 Base-Backbone interact. energy: 1.391 local terms energy: -469.321832 where: bonds (distance) C4'-P energy: -143.922 bonds (distance) P-C4' energy: -178.050 flat angles C4'-P-C4' energy: -89.710 flat angles P-C4'-P energy: -71.269 tors. eta vs tors. theta energy: 13.628 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: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3074.250590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.250590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.250590 (E_RNA) where: Base-Base interactions energy: -2100.421 where: short stacking energy: -861.140 Base-Backbone interact. energy: 2.000 local terms energy: -975.829661 where: bonds (distance) C4'-P energy: -190.100 bonds (distance) P-C4' energy: -180.590 flat angles C4'-P-C4' energy: -217.932 flat angles P-C4'-P energy: -148.151 tors. eta vs tors. theta energy: -239.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2927.303916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.303916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.303916 (E_RNA) where: Base-Base interactions energy: -1982.065 where: short stacking energy: -845.653 Base-Backbone interact. energy: -4.705 local terms energy: -940.534457 where: bonds (distance) C4'-P energy: -174.270 bonds (distance) P-C4' energy: -186.100 flat angles C4'-P-C4' energy: -201.532 flat angles P-C4'-P energy: -136.603 tors. eta vs tors. theta energy: -242.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2792.081970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.081970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.081970 (E_RNA) where: Base-Base interactions energy: -1878.380 where: short stacking energy: -821.659 Base-Backbone interact. energy: -1.927 local terms energy: -911.775058 where: bonds (distance) C4'-P energy: -169.715 bonds (distance) P-C4' energy: -186.927 flat angles C4'-P-C4' energy: -198.200 flat angles P-C4'-P energy: -132.150 tors. eta vs tors. theta energy: -224.783 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: 4, replica: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2511.143201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.143201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.143201 (E_RNA) where: Base-Base interactions energy: -1722.198 where: short stacking energy: -743.145 Base-Backbone interact. energy: 0.418 local terms energy: -789.363678 where: bonds (distance) C4'-P energy: -141.635 bonds (distance) P-C4' energy: -175.421 flat angles C4'-P-C4' energy: -169.367 flat angles P-C4'-P energy: -111.164 tors. eta vs tors. theta energy: -191.777 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: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2292.130748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.130748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.130748 (E_RNA) where: Base-Base interactions energy: -1529.401 where: short stacking energy: -705.950 Base-Backbone interact. energy: -1.757 local terms energy: -760.972832 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -143.038 flat angles C4'-P-C4' energy: -173.274 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -189.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2040.732869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.732869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.732869 (E_RNA) where: Base-Base interactions energy: -1309.255 where: short stacking energy: -593.828 Base-Backbone interact. energy: 2.331 local terms energy: -733.808763 where: bonds (distance) C4'-P energy: -137.042 bonds (distance) P-C4' energy: -156.454 flat angles C4'-P-C4' energy: -179.143 flat angles P-C4'-P energy: -112.727 tors. eta vs tors. theta energy: -148.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1610.623827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.623827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.623827 (E_RNA) where: Base-Base interactions energy: -976.115 where: short stacking energy: -489.337 Base-Backbone interact. energy: 0.394 local terms energy: -634.902623 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -147.004 flat angles C4'-P-C4' energy: -167.429 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -79.601 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: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1431.121963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.121963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.121963 (E_RNA) where: Base-Base interactions energy: -882.253 where: short stacking energy: -418.349 Base-Backbone interact. energy: 4.628 local terms energy: -553.497186 where: bonds (distance) C4'-P energy: -137.396 bonds (distance) P-C4' energy: -147.017 flat angles C4'-P-C4' energy: -143.746 flat angles P-C4'-P energy: -75.338 tors. eta vs tors. theta energy: -50.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -837.184677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.184677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.184677 (E_RNA) where: Base-Base interactions energy: -337.675 where: short stacking energy: -247.768 Base-Backbone interact. energy: -1.189 local terms energy: -498.321514 where: bonds (distance) C4'-P energy: -151.588 bonds (distance) P-C4' energy: -152.666 flat angles C4'-P-C4' energy: -139.593 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: 9.044 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: 206 Temperature: 1.350000 Total energy: -713.386947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.386947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.386947 (E_RNA) where: Base-Base interactions energy: -252.879 where: short stacking energy: -170.246 Base-Backbone interact. energy: 2.019 local terms energy: -462.526307 where: bonds (distance) C4'-P energy: -150.441 bonds (distance) P-C4' energy: -155.028 flat angles C4'-P-C4' energy: -131.053 flat angles P-C4'-P energy: -71.697 tors. eta vs tors. theta energy: 45.694 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: 207 Temperature: 0.900000 Total energy: -3056.218932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.218932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.218932 (E_RNA) where: Base-Base interactions energy: -2092.794 where: short stacking energy: -865.383 Base-Backbone interact. energy: -2.372 local terms energy: -961.052697 where: bonds (distance) C4'-P energy: -180.864 bonds (distance) P-C4' energy: -185.987 flat angles C4'-P-C4' energy: -205.836 flat angles P-C4'-P energy: -142.441 tors. eta vs tors. theta energy: -245.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2896.956700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.956700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.956700 (E_RNA) where: Base-Base interactions energy: -1990.422 where: short stacking energy: -815.842 Base-Backbone interact. energy: 0.010 local terms energy: -906.545642 where: bonds (distance) C4'-P energy: -169.373 bonds (distance) P-C4' energy: -175.720 flat angles C4'-P-C4' energy: -202.215 flat angles P-C4'-P energy: -131.732 tors. eta vs tors. theta energy: -227.507 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: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2864.423313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.423313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.423313 (E_RNA) where: Base-Base interactions energy: -1962.064 where: short stacking energy: -815.572 Base-Backbone interact. energy: -2.312 local terms energy: -900.046833 where: bonds (distance) C4'-P energy: -180.322 bonds (distance) P-C4' energy: -180.155 flat angles C4'-P-C4' energy: -190.236 flat angles P-C4'-P energy: -123.276 tors. eta vs tors. theta energy: -226.058 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: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2552.046103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.046103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.046103 (E_RNA) where: Base-Base interactions energy: -1742.216 where: short stacking energy: -777.187 Base-Backbone interact. energy: -0.958 local terms energy: -808.872276 where: bonds (distance) C4'-P energy: -148.357 bonds (distance) P-C4' energy: -164.883 flat angles C4'-P-C4' energy: -192.621 flat angles P-C4'-P energy: -97.697 tors. eta vs tors. theta energy: -205.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2273.018629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.018629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.018629 (E_RNA) where: Base-Base interactions energy: -1516.357 where: short stacking energy: -668.900 Base-Backbone interact. energy: -2.754 local terms energy: -753.907655 where: bonds (distance) C4'-P energy: -169.347 bonds (distance) P-C4' energy: -164.164 flat angles C4'-P-C4' energy: -152.642 flat angles P-C4'-P energy: -101.923 tors. eta vs tors. theta energy: -165.831 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: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2096.772522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.772522 (E_RNA) where: Base-Base interactions energy: -1353.638 where: short stacking energy: -659.939 Base-Backbone interact. energy: 1.732 local terms energy: -744.866367 where: bonds (distance) C4'-P energy: -145.542 bonds (distance) P-C4' energy: -147.067 flat angles C4'-P-C4' energy: -173.226 flat angles P-C4'-P energy: -117.591 tors. eta vs tors. theta energy: -161.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1663.827943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.827943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.827943 (E_RNA) where: Base-Base interactions energy: -1032.535 where: short stacking energy: -470.349 Base-Backbone interact. energy: 1.589 local terms energy: -632.881894 where: bonds (distance) C4'-P energy: -149.704 bonds (distance) P-C4' energy: -165.717 flat angles C4'-P-C4' energy: -147.286 flat angles P-C4'-P energy: -88.824 tors. eta vs tors. theta energy: -81.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1310.286059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.286059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.286059 (E_RNA) where: Base-Base interactions energy: -734.426 where: short stacking energy: -355.183 Base-Backbone interact. energy: 3.635 local terms energy: -579.494454 where: bonds (distance) C4'-P energy: -133.771 bonds (distance) P-C4' energy: -160.815 flat angles C4'-P-C4' energy: -142.027 flat angles P-C4'-P energy: -97.445 tors. eta vs tors. theta energy: -45.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -831.480281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.480281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.480281 (E_RNA) where: Base-Base interactions energy: -315.767 where: short stacking energy: -205.511 Base-Backbone interact. energy: 0.773 local terms energy: -516.486541 where: bonds (distance) C4'-P energy: -162.125 bonds (distance) P-C4' energy: -160.798 flat angles C4'-P-C4' energy: -143.341 flat angles P-C4'-P energy: -74.395 tors. eta vs tors. theta energy: 24.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -718.207251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.207251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.207251 (E_RNA) where: Base-Base interactions energy: -283.618 where: short stacking energy: -193.417 Base-Backbone interact. energy: 3.135 local terms energy: -437.724460 where: bonds (distance) C4'-P energy: -132.817 bonds (distance) P-C4' energy: -133.586 flat angles C4'-P-C4' energy: -128.868 flat angles P-C4'-P energy: -71.631 tors. eta vs tors. theta energy: 29.178 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: 208 Temperature: 0.900000 Total energy: -3082.459198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.459198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.459198 (E_RNA) where: Base-Base interactions energy: -2145.181 where: short stacking energy: -893.157 Base-Backbone interact. energy: -5.504 local terms energy: -931.774267 where: bonds (distance) C4'-P energy: -161.581 bonds (distance) P-C4' energy: -176.047 flat angles C4'-P-C4' energy: -197.814 flat angles P-C4'-P energy: -148.326 tors. eta vs tors. theta energy: -248.007 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: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2909.081439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.081439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.081439 (E_RNA) where: Base-Base interactions energy: -1968.468 where: short stacking energy: -862.940 Base-Backbone interact. energy: -5.960 local terms energy: -934.653845 where: bonds (distance) C4'-P energy: -172.872 bonds (distance) P-C4' energy: -191.083 flat angles C4'-P-C4' energy: -203.241 flat angles P-C4'-P energy: -141.383 tors. eta vs tors. theta energy: -226.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2904.223812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.223812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.223812 (E_RNA) where: Base-Base interactions energy: -1989.186 where: short stacking energy: -835.027 Base-Backbone interact. energy: -3.979 local terms energy: -911.058505 where: bonds (distance) C4'-P energy: -172.770 bonds (distance) P-C4' energy: -171.719 flat angles C4'-P-C4' energy: -208.203 flat angles P-C4'-P energy: -120.203 tors. eta vs tors. theta energy: -238.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2539.872965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.872965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.872965 (E_RNA) where: Base-Base interactions energy: -1686.810 where: short stacking energy: -730.685 Base-Backbone interact. energy: -0.965 local terms energy: -852.097181 where: bonds (distance) C4'-P energy: -157.180 bonds (distance) P-C4' energy: -188.444 flat angles C4'-P-C4' energy: -173.089 flat angles P-C4'-P energy: -124.150 tors. eta vs tors. theta energy: -209.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2247.806217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.806217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.806217 (E_RNA) where: Base-Base interactions energy: -1471.941 where: short stacking energy: -671.366 Base-Backbone interact. energy: -2.146 local terms energy: -773.719348 where: bonds (distance) C4'-P energy: -140.675 bonds (distance) P-C4' energy: -157.304 flat angles C4'-P-C4' energy: -192.334 flat angles P-C4'-P energy: -108.255 tors. eta vs tors. theta energy: -175.151 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: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2042.410513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.410513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.410513 (E_RNA) where: Base-Base interactions energy: -1276.741 where: short stacking energy: -605.514 Base-Backbone interact. energy: -0.250 local terms energy: -765.418609 where: bonds (distance) C4'-P energy: -143.686 bonds (distance) P-C4' energy: -175.820 flat angles C4'-P-C4' energy: -182.840 flat angles P-C4'-P energy: -101.239 tors. eta vs tors. theta energy: -161.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1761.863322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.863322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.863322 (E_RNA) where: Base-Base interactions energy: -1119.683 where: short stacking energy: -485.369 Base-Backbone interact. energy: 4.894 local terms energy: -647.073472 where: bonds (distance) C4'-P energy: -148.487 bonds (distance) P-C4' energy: -140.700 flat angles C4'-P-C4' energy: -153.160 flat angles P-C4'-P energy: -102.251 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: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1383.503546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.503546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.503546 (E_RNA) where: Base-Base interactions energy: -803.344 where: short stacking energy: -392.871 Base-Backbone interact. energy: -3.333 local terms energy: -576.825814 where: bonds (distance) C4'-P energy: -128.908 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -145.757 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -51.690 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: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -877.739098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.739098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.739098 (E_RNA) where: Base-Base interactions energy: -390.342 where: short stacking energy: -243.788 Base-Backbone interact. energy: 2.895 local terms energy: -490.291500 where: bonds (distance) C4'-P energy: -141.888 bonds (distance) P-C4' energy: -149.452 flat angles C4'-P-C4' energy: -130.224 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -5.043 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: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -727.229678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.229678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.229678 (E_RNA) where: Base-Base interactions energy: -276.493 where: short stacking energy: -203.269 Base-Backbone interact. energy: -1.706 local terms energy: -449.030648 where: bonds (distance) C4'-P energy: -113.933 bonds (distance) P-C4' energy: -156.252 flat angles C4'-P-C4' energy: -119.909 flat angles P-C4'-P energy: -76.287 tors. eta vs tors. theta energy: 17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3123.339844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.339844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.339844 (E_RNA) where: Base-Base interactions energy: -2158.005 where: short stacking energy: -885.940 Base-Backbone interact. energy: -2.956 local terms energy: -962.378734 where: bonds (distance) C4'-P energy: -173.868 bonds (distance) P-C4' energy: -185.164 flat angles C4'-P-C4' energy: -201.778 flat angles P-C4'-P energy: -149.031 tors. eta vs tors. theta energy: -252.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2912.954559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.954559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.954559 (E_RNA) where: Base-Base interactions energy: -2007.912 where: short stacking energy: -860.333 Base-Backbone interact. energy: 0.785 local terms energy: -905.827296 where: bonds (distance) C4'-P energy: -177.328 bonds (distance) P-C4' energy: -164.509 flat angles C4'-P-C4' energy: -207.172 flat angles P-C4'-P energy: -120.362 tors. eta vs tors. theta energy: -236.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2811.990085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.990085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.990085 (E_RNA) where: Base-Base interactions energy: -1892.336 where: short stacking energy: -804.279 Base-Backbone interact. energy: -3.013 local terms energy: -916.641660 where: bonds (distance) C4'-P energy: -184.933 bonds (distance) P-C4' energy: -178.467 flat angles C4'-P-C4' energy: -194.845 flat angles P-C4'-P energy: -119.387 tors. eta vs tors. theta energy: -239.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2625.123171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.123171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.123171 (E_RNA) where: Base-Base interactions energy: -1746.058 where: short stacking energy: -758.648 Base-Backbone interact. energy: -2.625 local terms energy: -876.439602 where: bonds (distance) C4'-P energy: -167.479 bonds (distance) P-C4' energy: -162.752 flat angles C4'-P-C4' energy: -202.208 flat angles P-C4'-P energy: -125.278 tors. eta vs tors. theta energy: -218.722 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: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2281.481403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.481403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.481403 (E_RNA) where: Base-Base interactions energy: -1503.632 where: short stacking energy: -696.198 Base-Backbone interact. energy: -3.726 local terms energy: -774.123153 where: bonds (distance) C4'-P energy: -138.389 bonds (distance) P-C4' energy: -162.142 flat angles C4'-P-C4' energy: -173.318 flat angles P-C4'-P energy: -125.473 tors. eta vs tors. theta energy: -174.801 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: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2058.842775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.842775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.842775 (E_RNA) where: Base-Base interactions energy: -1312.165 where: short stacking energy: -603.831 Base-Backbone interact. energy: 0.305 local terms energy: -746.982932 where: bonds (distance) C4'-P energy: -158.753 bonds (distance) P-C4' energy: -164.253 flat angles C4'-P-C4' energy: -152.969 flat angles P-C4'-P energy: -100.620 tors. eta vs tors. theta energy: -170.388 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: 209 Temperature: 1.200000 Total energy: -1816.038195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.038195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.038195 (E_RNA) where: Base-Base interactions energy: -1167.926 where: short stacking energy: -492.861 Base-Backbone interact. energy: -1.246 local terms energy: -646.865581 where: bonds (distance) C4'-P energy: -139.008 bonds (distance) P-C4' energy: -149.604 flat angles C4'-P-C4' energy: -164.941 flat angles P-C4'-P energy: -88.659 tors. eta vs tors. theta energy: -104.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1428.771103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.771103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.771103 (E_RNA) where: Base-Base interactions energy: -836.923 where: short stacking energy: -426.719 Base-Backbone interact. energy: 3.145 local terms energy: -594.992958 where: bonds (distance) C4'-P energy: -147.076 bonds (distance) P-C4' energy: -165.979 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -78.127 tors. eta vs tors. theta energy: -59.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -875.161116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.161116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.161116 (E_RNA) where: Base-Base interactions energy: -366.825 where: short stacking energy: -243.900 Base-Backbone interact. energy: 1.571 local terms energy: -509.907115 where: bonds (distance) C4'-P energy: -155.683 bonds (distance) P-C4' energy: -156.264 flat angles C4'-P-C4' energy: -123.744 flat angles P-C4'-P energy: -73.663 tors. eta vs tors. theta energy: -0.553 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: 209 Temperature: 1.350000 Total energy: -738.800978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.800978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.800978 (E_RNA) where: Base-Base interactions energy: -300.166 where: short stacking energy: -214.852 Base-Backbone interact. energy: 9.923 local terms energy: -448.558314 where: bonds (distance) C4'-P energy: -138.378 bonds (distance) P-C4' energy: -136.860 flat angles C4'-P-C4' energy: -122.439 flat angles P-C4'-P energy: -73.203 tors. eta vs tors. theta energy: 22.322 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: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3130.538852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.538852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.538852 (E_RNA) where: Base-Base interactions energy: -2180.611 where: short stacking energy: -922.926 Base-Backbone interact. energy: -6.420 local terms energy: -943.507328 where: bonds (distance) C4'-P energy: -174.583 bonds (distance) P-C4' energy: -168.219 flat angles C4'-P-C4' energy: -210.043 flat angles P-C4'-P energy: -138.322 tors. eta vs tors. theta energy: -252.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2885.826698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.826698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.826698 (E_RNA) where: Base-Base interactions energy: -1979.728 where: short stacking energy: -844.763 Base-Backbone interact. energy: -2.928 local terms energy: -903.171090 where: bonds (distance) C4'-P energy: -169.023 bonds (distance) P-C4' energy: -180.387 flat angles C4'-P-C4' energy: -188.599 flat angles P-C4'-P energy: -123.894 tors. eta vs tors. theta energy: -241.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2829.543131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.543131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.543131 (E_RNA) where: Base-Base interactions energy: -1911.035 where: short stacking energy: -868.228 Base-Backbone interact. energy: -1.296 local terms energy: -917.212441 where: bonds (distance) C4'-P energy: -161.391 bonds (distance) P-C4' energy: -160.938 flat angles C4'-P-C4' energy: -207.853 flat angles P-C4'-P energy: -122.351 tors. eta vs tors. theta energy: -264.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2605.897653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.897653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.897653 (E_RNA) where: Base-Base interactions energy: -1755.159 where: short stacking energy: -787.144 Base-Backbone interact. energy: -0.785 local terms energy: -849.953456 where: bonds (distance) C4'-P energy: -163.925 bonds (distance) P-C4' energy: -173.444 flat angles C4'-P-C4' energy: -178.748 flat angles P-C4'-P energy: -115.309 tors. eta vs tors. theta energy: -218.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2244.914026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.914026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.914026 (E_RNA) where: Base-Base interactions energy: -1480.142 where: short stacking energy: -675.177 Base-Backbone interact. energy: 0.827 local terms energy: -765.598986 where: bonds (distance) C4'-P energy: -165.016 bonds (distance) P-C4' energy: -136.969 flat angles C4'-P-C4' energy: -175.508 flat angles P-C4'-P energy: -114.712 tors. eta vs tors. theta energy: -173.395 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: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2020.566918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.566918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.566918 (E_RNA) where: Base-Base interactions energy: -1253.998 where: short stacking energy: -575.205 Base-Backbone interact. energy: 1.823 local terms energy: -768.391580 where: bonds (distance) C4'-P energy: -148.869 bonds (distance) P-C4' energy: -164.656 flat angles C4'-P-C4' energy: -195.279 flat angles P-C4'-P energy: -123.814 tors. eta vs tors. theta energy: -135.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1820.660245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.660245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.660245 (E_RNA) where: Base-Base interactions energy: -1185.667 where: short stacking energy: -523.595 Base-Backbone interact. energy: -1.728 local terms energy: -633.264990 where: bonds (distance) C4'-P energy: -140.663 bonds (distance) P-C4' energy: -156.974 flat angles C4'-P-C4' energy: -141.768 flat angles P-C4'-P energy: -86.595 tors. eta vs tors. theta energy: -107.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1500.727872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.727872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.727872 (E_RNA) where: Base-Base interactions energy: -882.184 where: short stacking energy: -420.202 Base-Backbone interact. energy: -2.076 local terms energy: -616.468630 where: bonds (distance) C4'-P energy: -149.579 bonds (distance) P-C4' energy: -162.353 flat angles C4'-P-C4' energy: -150.570 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -76.959 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: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -879.374096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.374096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.374096 (E_RNA) where: Base-Base interactions energy: -390.181 where: short stacking energy: -224.965 Base-Backbone interact. energy: -0.337 local terms energy: -488.855969 where: bonds (distance) C4'-P energy: -146.855 bonds (distance) P-C4' energy: -147.391 flat angles C4'-P-C4' energy: -125.528 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: 7.726 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: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -725.055337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.055337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.055337 (E_RNA) where: Base-Base interactions energy: -259.229 where: short stacking energy: -199.677 Base-Backbone interact. energy: 0.689 local terms energy: -466.514918 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -118.719 flat angles P-C4'-P energy: -71.781 tors. eta vs tors. theta energy: 2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3085.568138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.568138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.568138 (E_RNA) where: Base-Base interactions energy: -2089.421 where: short stacking energy: -894.716 Base-Backbone interact. energy: -2.111 local terms energy: -994.037001 where: bonds (distance) C4'-P energy: -192.418 bonds (distance) P-C4' energy: -190.483 flat angles C4'-P-C4' energy: -217.018 flat angles P-C4'-P energy: -141.215 tors. eta vs tors. theta energy: -252.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2845.020629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.020629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.020629 (E_RNA) where: Base-Base interactions energy: -1966.477 where: short stacking energy: -810.370 Base-Backbone interact. energy: -2.625 local terms energy: -875.918800 where: bonds (distance) C4'-P energy: -154.904 bonds (distance) P-C4' energy: -184.338 flat angles C4'-P-C4' energy: -196.488 flat angles P-C4'-P energy: -109.787 tors. eta vs tors. theta energy: -230.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2850.352745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.352745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.352745 (E_RNA) where: Base-Base interactions energy: -1952.614 where: short stacking energy: -850.779 Base-Backbone interact. energy: -2.926 local terms energy: -894.812997 where: bonds (distance) C4'-P energy: -174.504 bonds (distance) P-C4' energy: -170.490 flat angles C4'-P-C4' energy: -206.116 flat angles P-C4'-P energy: -107.364 tors. eta vs tors. theta energy: -236.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2582.460334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.460334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.460334 (E_RNA) where: Base-Base interactions energy: -1710.800 where: short stacking energy: -741.494 Base-Backbone interact. energy: 2.782 local terms energy: -874.441520 where: bonds (distance) C4'-P energy: -171.786 bonds (distance) P-C4' energy: -186.905 flat angles C4'-P-C4' energy: -183.203 flat angles P-C4'-P energy: -129.882 tors. eta vs tors. theta energy: -202.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2312.402248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.402248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.402248 (E_RNA) where: Base-Base interactions energy: -1515.152 where: short stacking energy: -693.910 Base-Backbone interact. energy: 5.320 local terms energy: -802.569793 where: bonds (distance) C4'-P energy: -160.092 bonds (distance) P-C4' energy: -156.422 flat angles C4'-P-C4' energy: -186.534 flat angles P-C4'-P energy: -117.896 tors. eta vs tors. theta energy: -181.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2061.401635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.401635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.401635 (E_RNA) where: Base-Base interactions energy: -1279.511 where: short stacking energy: -595.167 Base-Backbone interact. energy: 3.012 local terms energy: -784.902961 where: bonds (distance) C4'-P energy: -155.483 bonds (distance) P-C4' energy: -183.237 flat angles C4'-P-C4' energy: -174.275 flat angles P-C4'-P energy: -113.873 tors. eta vs tors. theta energy: -158.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1787.422937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.422937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.422937 (E_RNA) where: Base-Base interactions energy: -1158.116 where: short stacking energy: -494.824 Base-Backbone interact. energy: 0.038 local terms energy: -629.345601 where: bonds (distance) C4'-P energy: -150.032 bonds (distance) P-C4' energy: -153.331 flat angles C4'-P-C4' energy: -145.158 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -91.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1442.453223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.453223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.453223 (E_RNA) where: Base-Base interactions energy: -885.724 where: short stacking energy: -410.451 Base-Backbone interact. energy: -0.239 local terms energy: -556.490350 where: bonds (distance) C4'-P energy: -148.422 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -134.732 flat angles P-C4'-P energy: -103.069 tors. eta vs tors. theta energy: -30.857 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: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -942.968891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.968891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.968891 (E_RNA) where: Base-Base interactions energy: -473.476 where: short stacking energy: -276.863 Base-Backbone interact. energy: -0.196 local terms energy: -469.296888 where: bonds (distance) C4'-P energy: -151.610 bonds (distance) P-C4' energy: -142.294 flat angles C4'-P-C4' energy: -124.547 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: 9.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -755.521598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.521598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.521598 (E_RNA) where: Base-Base interactions energy: -304.573 where: short stacking energy: -240.430 Base-Backbone interact. energy: -1.132 local terms energy: -449.817089 where: bonds (distance) C4'-P energy: -146.738 bonds (distance) P-C4' energy: -130.451 flat angles C4'-P-C4' energy: -127.872 flat angles P-C4'-P energy: -39.805 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3071.555218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.555218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.555218 (E_RNA) where: Base-Base interactions energy: -2114.940 where: short stacking energy: -891.526 Base-Backbone interact. energy: -4.110 local terms energy: -952.505819 where: bonds (distance) C4'-P energy: -166.300 bonds (distance) P-C4' energy: -197.537 flat angles C4'-P-C4' energy: -195.343 flat angles P-C4'-P energy: -138.618 tors. eta vs tors. theta energy: -254.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2897.850477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.850477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.850477 (E_RNA) where: Base-Base interactions energy: -1994.304 where: short stacking energy: -817.926 Base-Backbone interact. energy: 1.987 local terms energy: -905.533173 where: bonds (distance) C4'-P energy: -180.437 bonds (distance) P-C4' energy: -172.172 flat angles C4'-P-C4' energy: -193.248 flat angles P-C4'-P energy: -139.338 tors. eta vs tors. theta energy: -220.338 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: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2855.299459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.299459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.299459 (E_RNA) where: Base-Base interactions energy: -1922.740 where: short stacking energy: -860.386 Base-Backbone interact. energy: 2.644 local terms energy: -935.203428 where: bonds (distance) C4'-P energy: -185.957 bonds (distance) P-C4' energy: -176.313 flat angles C4'-P-C4' energy: -197.784 flat angles P-C4'-P energy: -121.350 tors. eta vs tors. theta energy: -253.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2580.872864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.872864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.872864 (E_RNA) where: Base-Base interactions energy: -1746.227 where: short stacking energy: -753.698 Base-Backbone interact. energy: 4.274 local terms energy: -838.919747 where: bonds (distance) C4'-P energy: -150.525 bonds (distance) P-C4' energy: -166.140 flat angles C4'-P-C4' energy: -203.186 flat angles P-C4'-P energy: -112.533 tors. eta vs tors. theta energy: -206.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2399.439686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.439686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.439686 (E_RNA) where: Base-Base interactions energy: -1583.438 where: short stacking energy: -714.286 Base-Backbone interact. energy: -2.140 local terms energy: -813.861860 where: bonds (distance) C4'-P energy: -183.771 bonds (distance) P-C4' energy: -160.078 flat angles C4'-P-C4' energy: -186.389 flat angles P-C4'-P energy: -95.559 tors. eta vs tors. theta energy: -188.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2042.225945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.225945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.225945 (E_RNA) where: Base-Base interactions energy: -1276.006 where: short stacking energy: -590.880 Base-Backbone interact. energy: -3.139 local terms energy: -763.081311 where: bonds (distance) C4'-P energy: -177.680 bonds (distance) P-C4' energy: -154.845 flat angles C4'-P-C4' energy: -175.833 flat angles P-C4'-P energy: -106.988 tors. eta vs tors. theta energy: -147.736 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: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1853.023268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.023268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.023268 (E_RNA) where: Base-Base interactions energy: -1178.022 where: short stacking energy: -504.639 Base-Backbone interact. energy: -1.111 local terms energy: -673.890348 where: bonds (distance) C4'-P energy: -146.492 bonds (distance) P-C4' energy: -138.034 flat angles C4'-P-C4' energy: -179.267 flat angles P-C4'-P energy: -103.715 tors. eta vs tors. theta energy: -106.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1503.146125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.146125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.146125 (E_RNA) where: Base-Base interactions energy: -901.525 where: short stacking energy: -419.528 Base-Backbone interact. energy: 0.896 local terms energy: -602.516995 where: bonds (distance) C4'-P energy: -149.016 bonds (distance) P-C4' energy: -140.951 flat angles C4'-P-C4' energy: -141.462 flat angles P-C4'-P energy: -109.212 tors. eta vs tors. theta energy: -61.875 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: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -950.494304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.494304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.494304 (E_RNA) where: Base-Base interactions energy: -441.774 where: short stacking energy: -263.205 Base-Backbone interact. energy: 5.267 local terms energy: -513.987519 where: bonds (distance) C4'-P energy: -139.724 bonds (distance) P-C4' energy: -146.389 flat angles C4'-P-C4' energy: -159.418 flat angles P-C4'-P energy: -71.015 tors. eta vs tors. theta energy: 2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -726.359758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.359758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.359758 (E_RNA) where: Base-Base interactions energy: -264.286 where: short stacking energy: -205.203 Base-Backbone interact. energy: -2.744 local terms energy: -459.329817 where: bonds (distance) C4'-P energy: -155.258 bonds (distance) P-C4' energy: -165.191 flat angles C4'-P-C4' energy: -117.581 flat angles P-C4'-P energy: -34.016 tors. eta vs tors. theta energy: 12.717 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: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3090.769636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.769636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.769636 (E_RNA) where: Base-Base interactions energy: -2149.419 where: short stacking energy: -891.418 Base-Backbone interact. energy: -7.348 local terms energy: -934.002184 where: bonds (distance) C4'-P energy: -179.545 bonds (distance) P-C4' energy: -179.139 flat angles C4'-P-C4' energy: -210.055 flat angles P-C4'-P energy: -125.697 tors. eta vs tors. theta energy: -239.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2914.983829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.983829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.983829 (E_RNA) where: Base-Base interactions energy: -1994.297 where: short stacking energy: -847.502 Base-Backbone interact. energy: -2.724 local terms energy: -917.962173 where: bonds (distance) C4'-P energy: -174.431 bonds (distance) P-C4' energy: -169.917 flat angles C4'-P-C4' energy: -190.656 flat angles P-C4'-P energy: -143.910 tors. eta vs tors. theta energy: -239.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2835.190468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.190468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.190468 (E_RNA) where: Base-Base interactions energy: -1911.163 where: short stacking energy: -822.482 Base-Backbone interact. energy: -3.413 local terms energy: -920.614586 where: bonds (distance) C4'-P energy: -165.760 bonds (distance) P-C4' energy: -175.380 flat angles C4'-P-C4' energy: -204.476 flat angles P-C4'-P energy: -146.937 tors. eta vs tors. theta energy: -228.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2513.850575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.850575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.850575 (E_RNA) where: Base-Base interactions energy: -1674.312 where: short stacking energy: -715.219 Base-Backbone interact. energy: 2.526 local terms energy: -842.065414 where: bonds (distance) C4'-P energy: -167.341 bonds (distance) P-C4' energy: -168.619 flat angles C4'-P-C4' energy: -199.775 flat angles P-C4'-P energy: -119.145 tors. eta vs tors. theta energy: -187.186 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: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2337.140512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.140512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.140512 (E_RNA) where: Base-Base interactions energy: -1503.464 where: short stacking energy: -698.352 Base-Backbone interact. energy: 0.419 local terms energy: -834.095235 where: bonds (distance) C4'-P energy: -177.320 bonds (distance) P-C4' energy: -169.261 flat angles C4'-P-C4' energy: -189.947 flat angles P-C4'-P energy: -105.323 tors. eta vs tors. theta energy: -192.244 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: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2052.559645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.559645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.559645 (E_RNA) where: Base-Base interactions energy: -1322.509 where: short stacking energy: -615.316 Base-Backbone interact. energy: 1.165 local terms energy: -731.215900 where: bonds (distance) C4'-P energy: -160.276 bonds (distance) P-C4' energy: -156.729 flat angles C4'-P-C4' energy: -162.782 flat angles P-C4'-P energy: -83.629 tors. eta vs tors. theta energy: -167.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1817.304507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.304507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.304507 (E_RNA) where: Base-Base interactions energy: -1161.749 where: short stacking energy: -514.597 Base-Backbone interact. energy: 3.229 local terms energy: -658.784233 where: bonds (distance) C4'-P energy: -153.750 bonds (distance) P-C4' energy: -153.335 flat angles C4'-P-C4' energy: -165.080 flat angles P-C4'-P energy: -99.191 tors. eta vs tors. theta energy: -87.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1458.107979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.107979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.107979 (E_RNA) where: Base-Base interactions energy: -887.270 where: short stacking energy: -401.233 Base-Backbone interact. energy: -2.901 local terms energy: -567.937477 where: bonds (distance) C4'-P energy: -131.540 bonds (distance) P-C4' energy: -160.244 flat angles C4'-P-C4' energy: -136.835 flat angles P-C4'-P energy: -73.587 tors. eta vs tors. theta energy: -65.732 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: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -971.272101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.272101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.272101 (E_RNA) where: Base-Base interactions energy: -475.671 where: short stacking energy: -260.980 Base-Backbone interact. energy: 4.244 local terms energy: -499.845591 where: bonds (distance) C4'-P energy: -115.260 bonds (distance) P-C4' energy: -170.075 flat angles C4'-P-C4' energy: -127.969 flat angles P-C4'-P energy: -77.305 tors. eta vs tors. theta energy: -9.237 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: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -789.128838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.128838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.128838 (E_RNA) where: Base-Base interactions energy: -313.391 where: short stacking energy: -217.331 Base-Backbone interact. energy: -2.194 local terms energy: -473.543383 where: bonds (distance) C4'-P energy: -147.010 bonds (distance) P-C4' energy: -122.665 flat angles C4'-P-C4' energy: -130.785 flat angles P-C4'-P energy: -92.907 tors. eta vs tors. theta energy: 19.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3073.245550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.245550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.245550 (E_RNA) where: Base-Base interactions energy: -2114.645 where: short stacking energy: -859.865 Base-Backbone interact. energy: -3.905 local terms energy: -954.695985 where: bonds (distance) C4'-P energy: -185.255 bonds (distance) P-C4' energy: -189.493 flat angles C4'-P-C4' energy: -213.642 flat angles P-C4'-P energy: -128.027 tors. eta vs tors. theta energy: -238.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2963.817580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.817580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.817580 (E_RNA) where: Base-Base interactions energy: -2021.721 where: short stacking energy: -884.690 Base-Backbone interact. energy: -1.157 local terms energy: -940.940012 where: bonds (distance) C4'-P energy: -178.044 bonds (distance) P-C4' energy: -181.090 flat angles C4'-P-C4' energy: -191.058 flat angles P-C4'-P energy: -131.050 tors. eta vs tors. theta energy: -259.699 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: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2798.823210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.823210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.823210 (E_RNA) where: Base-Base interactions energy: -1910.666 where: short stacking energy: -846.982 Base-Backbone interact. energy: 5.328 local terms energy: -893.485871 where: bonds (distance) C4'-P energy: -166.113 bonds (distance) P-C4' energy: -181.666 flat angles C4'-P-C4' energy: -186.432 flat angles P-C4'-P energy: -127.988 tors. eta vs tors. theta energy: -231.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2544.472794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.472794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.472794 (E_RNA) where: Base-Base interactions energy: -1680.003 where: short stacking energy: -739.784 Base-Backbone interact. energy: -5.291 local terms energy: -859.179155 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -176.717 flat angles C4'-P-C4' energy: -187.219 flat angles P-C4'-P energy: -117.914 tors. eta vs tors. theta energy: -231.296 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: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2269.838455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.838455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.838455 (E_RNA) where: Base-Base interactions energy: -1479.854 where: short stacking energy: -691.915 Base-Backbone interact. energy: -1.349 local terms energy: -788.635117 where: bonds (distance) C4'-P energy: -151.668 bonds (distance) P-C4' energy: -165.029 flat angles C4'-P-C4' energy: -179.174 flat angles P-C4'-P energy: -111.875 tors. eta vs tors. theta energy: -180.889 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: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2111.259668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.259668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.259668 (E_RNA) where: Base-Base interactions energy: -1379.792 where: short stacking energy: -626.130 Base-Backbone interact. energy: 0.082 local terms energy: -731.549565 where: bonds (distance) C4'-P energy: -142.119 bonds (distance) P-C4' energy: -150.313 flat angles C4'-P-C4' energy: -176.085 flat angles P-C4'-P energy: -97.416 tors. eta vs tors. theta energy: -165.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1879.285769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.285769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.285769 (E_RNA) where: Base-Base interactions energy: -1189.973 where: short stacking energy: -527.908 Base-Backbone interact. energy: -0.820 local terms energy: -688.492893 where: bonds (distance) C4'-P energy: -150.982 bonds (distance) P-C4' energy: -153.313 flat angles C4'-P-C4' energy: -167.151 flat angles P-C4'-P energy: -100.001 tors. eta vs tors. theta energy: -117.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1512.290504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.290504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.290504 (E_RNA) where: Base-Base interactions energy: -890.574 where: short stacking energy: -404.281 Base-Backbone interact. energy: 1.910 local terms energy: -623.626489 where: bonds (distance) C4'-P energy: -155.841 bonds (distance) P-C4' energy: -150.404 flat angles C4'-P-C4' energy: -139.496 flat angles P-C4'-P energy: -104.458 tors. eta vs tors. theta energy: -73.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -989.422090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.422090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.422090 (E_RNA) where: Base-Base interactions energy: -483.866 where: short stacking energy: -279.440 Base-Backbone interact. energy: 0.095 local terms energy: -505.651654 where: bonds (distance) C4'-P energy: -163.900 bonds (distance) P-C4' energy: -127.359 flat angles C4'-P-C4' energy: -132.954 flat angles P-C4'-P energy: -81.853 tors. eta vs tors. theta energy: 0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -753.892318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.892318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.892318 (E_RNA) where: Base-Base interactions energy: -283.971 where: short stacking energy: -192.964 Base-Backbone interact. energy: 3.491 local terms energy: -473.412338 where: bonds (distance) C4'-P energy: -152.917 bonds (distance) P-C4' energy: -181.259 flat angles C4'-P-C4' energy: -100.164 flat angles P-C4'-P energy: -65.669 tors. eta vs tors. theta energy: 26.596 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: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3066.107256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.107256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.107256 (E_RNA) where: Base-Base interactions energy: -2121.596 where: short stacking energy: -903.696 Base-Backbone interact. energy: -1.219 local terms energy: -943.292177 where: bonds (distance) C4'-P energy: -172.734 bonds (distance) P-C4' energy: -174.784 flat angles C4'-P-C4' energy: -207.006 flat angles P-C4'-P energy: -143.859 tors. eta vs tors. theta energy: -244.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2911.587810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.587810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.587810 (E_RNA) where: Base-Base interactions energy: -1975.758 where: short stacking energy: -864.254 Base-Backbone interact. energy: -2.905 local terms energy: -932.924418 where: bonds (distance) C4'-P energy: -171.207 bonds (distance) P-C4' energy: -172.698 flat angles C4'-P-C4' energy: -204.122 flat angles P-C4'-P energy: -141.229 tors. eta vs tors. theta energy: -243.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2766.898318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.898318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.898318 (E_RNA) where: Base-Base interactions energy: -1882.276 where: short stacking energy: -782.259 Base-Backbone interact. energy: 1.389 local terms energy: -886.011731 where: bonds (distance) C4'-P energy: -159.756 bonds (distance) P-C4' energy: -176.368 flat angles C4'-P-C4' energy: -201.678 flat angles P-C4'-P energy: -131.046 tors. eta vs tors. theta energy: -217.164 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: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2534.646725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.646725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.646725 (E_RNA) where: Base-Base interactions energy: -1705.722 where: short stacking energy: -710.358 Base-Backbone interact. energy: -0.955 local terms energy: -827.970046 where: bonds (distance) C4'-P energy: -163.225 bonds (distance) P-C4' energy: -165.475 flat angles C4'-P-C4' energy: -188.250 flat angles P-C4'-P energy: -122.652 tors. eta vs tors. theta energy: -188.367 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: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2275.784901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.784901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.784901 (E_RNA) where: Base-Base interactions energy: -1515.969 where: short stacking energy: -690.730 Base-Backbone interact. energy: 5.771 local terms energy: -765.587018 where: bonds (distance) C4'-P energy: -133.727 bonds (distance) P-C4' energy: -175.278 flat angles C4'-P-C4' energy: -184.720 flat angles P-C4'-P energy: -101.095 tors. eta vs tors. theta energy: -170.766 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: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2066.677417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.677417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.677417 (E_RNA) where: Base-Base interactions energy: -1332.105 where: short stacking energy: -606.066 Base-Backbone interact. energy: -2.089 local terms energy: -732.483054 where: bonds (distance) C4'-P energy: -152.412 bonds (distance) P-C4' energy: -158.152 flat angles C4'-P-C4' energy: -174.254 flat angles P-C4'-P energy: -100.037 tors. eta vs tors. theta energy: -147.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1820.340546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.340546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.340546 (E_RNA) where: Base-Base interactions energy: -1175.672 where: short stacking energy: -517.413 Base-Backbone interact. energy: -2.262 local terms energy: -642.406755 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -151.825 flat angles C4'-P-C4' energy: -155.408 flat angles P-C4'-P energy: -99.346 tors. eta vs tors. theta energy: -106.857 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: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1469.925087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.925087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.925087 (E_RNA) where: Base-Base interactions energy: -904.706 where: short stacking energy: -389.573 Base-Backbone interact. energy: -2.060 local terms energy: -563.159679 where: bonds (distance) C4'-P energy: -134.500 bonds (distance) P-C4' energy: -152.189 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -73.834 tors. eta vs tors. theta energy: -55.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -996.664005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.664005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.664005 (E_RNA) where: Base-Base interactions energy: -455.697 where: short stacking energy: -257.904 Base-Backbone interact. energy: 0.693 local terms energy: -541.659237 where: bonds (distance) C4'-P energy: -141.091 bonds (distance) P-C4' energy: -175.377 flat angles C4'-P-C4' energy: -140.224 flat angles P-C4'-P energy: -86.204 tors. eta vs tors. theta energy: 1.237 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: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -761.549691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.549691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.549691 (E_RNA) where: Base-Base interactions energy: -329.557 where: short stacking energy: -176.563 Base-Backbone interact. energy: -0.273 local terms energy: -431.719741 where: bonds (distance) C4'-P energy: -127.366 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -113.659 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: 14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3110.079855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.079855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.079855 (E_RNA) where: Base-Base interactions energy: -2125.893 where: short stacking energy: -875.072 Base-Backbone interact. energy: -2.166 local terms energy: -982.020672 where: bonds (distance) C4'-P energy: -193.847 bonds (distance) P-C4' energy: -201.030 flat angles C4'-P-C4' energy: -206.974 flat angles P-C4'-P energy: -140.888 tors. eta vs tors. theta energy: -239.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2883.719277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.719277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.719277 (E_RNA) where: Base-Base interactions energy: -1981.896 where: short stacking energy: -804.156 Base-Backbone interact. energy: 0.923 local terms energy: -902.746663 where: bonds (distance) C4'-P energy: -168.174 bonds (distance) P-C4' energy: -178.385 flat angles C4'-P-C4' energy: -197.191 flat angles P-C4'-P energy: -139.408 tors. eta vs tors. theta energy: -219.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2756.955161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.955161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.955161 (E_RNA) where: Base-Base interactions energy: -1871.353 where: short stacking energy: -795.900 Base-Backbone interact. energy: -1.342 local terms energy: -884.259957 where: bonds (distance) C4'-P energy: -164.205 bonds (distance) P-C4' energy: -177.572 flat angles C4'-P-C4' energy: -205.779 flat angles P-C4'-P energy: -109.582 tors. eta vs tors. theta energy: -227.122 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: 7 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2590.216384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.216384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.216384 (E_RNA) where: Base-Base interactions energy: -1750.869 where: short stacking energy: -766.342 Base-Backbone interact. energy: -1.556 local terms energy: -837.791631 where: bonds (distance) C4'-P energy: -167.403 bonds (distance) P-C4' energy: -173.399 flat angles C4'-P-C4' energy: -183.438 flat angles P-C4'-P energy: -103.370 tors. eta vs tors. theta energy: -210.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2334.659745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.659745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.659745 (E_RNA) where: Base-Base interactions energy: -1503.683 where: short stacking energy: -656.656 Base-Backbone interact. energy: 2.691 local terms energy: -833.667115 where: bonds (distance) C4'-P energy: -165.616 bonds (distance) P-C4' energy: -170.494 flat angles C4'-P-C4' energy: -183.518 flat angles P-C4'-P energy: -120.138 tors. eta vs tors. theta energy: -193.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2130.486227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.486227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.486227 (E_RNA) where: Base-Base interactions energy: -1395.040 where: short stacking energy: -641.995 Base-Backbone interact. energy: 5.363 local terms energy: -740.809364 where: bonds (distance) C4'-P energy: -148.937 bonds (distance) P-C4' energy: -150.835 flat angles C4'-P-C4' energy: -182.262 flat angles P-C4'-P energy: -93.919 tors. eta vs tors. theta energy: -164.855 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: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1799.173390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.173390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.173390 (E_RNA) where: Base-Base interactions energy: -1178.091 where: short stacking energy: -504.575 Base-Backbone interact. energy: -6.384 local terms energy: -614.698232 where: bonds (distance) C4'-P energy: -150.271 bonds (distance) P-C4' energy: -132.791 flat angles C4'-P-C4' energy: -155.121 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: -89.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1536.109313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.109313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.109313 (E_RNA) where: Base-Base interactions energy: -882.616 where: short stacking energy: -386.957 Base-Backbone interact. energy: -4.812 local terms energy: -648.681298 where: bonds (distance) C4'-P energy: -156.438 bonds (distance) P-C4' energy: -177.110 flat angles C4'-P-C4' energy: -166.306 flat angles P-C4'-P energy: -90.814 tors. eta vs tors. theta energy: -58.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1055.913740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.913740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.913740 (E_RNA) where: Base-Base interactions energy: -510.499 where: short stacking energy: -283.249 Base-Backbone interact. energy: -0.885 local terms energy: -544.529755 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -123.787 flat angles C4'-P-C4' energy: -139.649 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -23.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -746.873532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.873532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.873532 (E_RNA) where: Base-Base interactions energy: -291.059 where: short stacking energy: -202.172 Base-Backbone interact. energy: 1.532 local terms energy: -457.346680 where: bonds (distance) C4'-P energy: -140.742 bonds (distance) P-C4' energy: -147.575 flat angles C4'-P-C4' energy: -138.364 flat angles P-C4'-P energy: -63.357 tors. eta vs tors. theta energy: 32.691 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: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3102.176566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.176566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.176566 (E_RNA) where: Base-Base interactions energy: -2129.349 where: short stacking energy: -874.237 Base-Backbone interact. energy: -1.145 local terms energy: -971.682825 where: bonds (distance) C4'-P energy: -160.287 bonds (distance) P-C4' energy: -195.940 flat angles C4'-P-C4' energy: -223.014 flat angles P-C4'-P energy: -147.738 tors. eta vs tors. theta energy: -244.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2859.739613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.739613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.739613 (E_RNA) where: Base-Base interactions energy: -1945.583 where: short stacking energy: -854.626 Base-Backbone interact. energy: -3.506 local terms energy: -910.650271 where: bonds (distance) C4'-P energy: -167.639 bonds (distance) P-C4' energy: -166.409 flat angles C4'-P-C4' energy: -198.709 flat angles P-C4'-P energy: -128.004 tors. eta vs tors. theta energy: -249.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2802.914318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.914318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.914318 (E_RNA) where: Base-Base interactions energy: -1890.417 where: short stacking energy: -816.924 Base-Backbone interact. energy: -0.313 local terms energy: -912.183852 where: bonds (distance) C4'-P energy: -172.883 bonds (distance) P-C4' energy: -180.377 flat angles C4'-P-C4' energy: -186.925 flat angles P-C4'-P energy: -144.122 tors. eta vs tors. theta energy: -227.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2608.044857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.044857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.044857 (E_RNA) where: Base-Base interactions energy: -1765.829 where: short stacking energy: -753.574 Base-Backbone interact. energy: -2.384 local terms energy: -839.831348 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -161.617 flat angles C4'-P-C4' energy: -188.568 flat angles P-C4'-P energy: -118.137 tors. eta vs tors. theta energy: -211.516 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: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2259.888588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.888588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.888588 (E_RNA) where: Base-Base interactions energy: -1477.593 where: short stacking energy: -634.325 Base-Backbone interact. energy: -0.702 local terms energy: -781.593307 where: bonds (distance) C4'-P energy: -160.094 bonds (distance) P-C4' energy: -162.640 flat angles C4'-P-C4' energy: -187.506 flat angles P-C4'-P energy: -108.203 tors. eta vs tors. theta energy: -163.150 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: 217 Temperature: 1.150000 Total energy: -2106.523585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.523585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.523585 (E_RNA) where: Base-Base interactions energy: -1328.309 where: short stacking energy: -625.740 Base-Backbone interact. energy: -3.060 local terms energy: -775.154748 where: bonds (distance) C4'-P energy: -153.498 bonds (distance) P-C4' energy: -164.669 flat angles C4'-P-C4' energy: -173.296 flat angles P-C4'-P energy: -119.647 tors. eta vs tors. theta energy: -164.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1761.781016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.781016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.781016 (E_RNA) where: Base-Base interactions energy: -1106.777 where: short stacking energy: -490.683 Base-Backbone interact. energy: -1.376 local terms energy: -653.627937 where: bonds (distance) C4'-P energy: -159.715 bonds (distance) P-C4' energy: -166.178 flat angles C4'-P-C4' energy: -160.987 flat angles P-C4'-P energy: -82.942 tors. eta vs tors. theta energy: -83.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1496.916484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.916484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.916484 (E_RNA) where: Base-Base interactions energy: -880.817 where: short stacking energy: -412.859 Base-Backbone interact. energy: -2.590 local terms energy: -613.509364 where: bonds (distance) C4'-P energy: -155.301 bonds (distance) P-C4' energy: -152.192 flat angles C4'-P-C4' energy: -155.219 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -60.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1024.217784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.217784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.217784 (E_RNA) where: Base-Base interactions energy: -515.360 where: short stacking energy: -309.629 Base-Backbone interact. energy: -0.627 local terms energy: -508.230235 where: bonds (distance) C4'-P energy: -144.023 bonds (distance) P-C4' energy: -141.380 flat angles C4'-P-C4' energy: -137.975 flat angles P-C4'-P energy: -81.491 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -672.490199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.490199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.490199 (E_RNA) where: Base-Base interactions energy: -264.091 where: short stacking energy: -196.832 Base-Backbone interact. energy: -2.606 local terms energy: -405.793244 where: bonds (distance) C4'-P energy: -146.992 bonds (distance) P-C4' energy: -130.365 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -55.220 tors. eta vs tors. theta energy: 49.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3081.937891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.937891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.937891 (E_RNA) where: Base-Base interactions energy: -2145.167 where: short stacking energy: -885.312 Base-Backbone interact. energy: -0.070 local terms energy: -936.701449 where: bonds (distance) C4'-P energy: -177.750 bonds (distance) P-C4' energy: -190.914 flat angles C4'-P-C4' energy: -200.321 flat angles P-C4'-P energy: -123.678 tors. eta vs tors. theta energy: -244.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2937.100935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.100935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.100935 (E_RNA) where: Base-Base interactions energy: -2010.374 where: short stacking energy: -880.779 Base-Backbone interact. energy: -3.329 local terms energy: -923.398363 where: bonds (distance) C4'-P energy: -162.699 bonds (distance) P-C4' energy: -191.562 flat angles C4'-P-C4' energy: -192.158 flat angles P-C4'-P energy: -119.162 tors. eta vs tors. theta energy: -257.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2767.636216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.636216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.636216 (E_RNA) where: Base-Base interactions energy: -1858.885 where: short stacking energy: -824.305 Base-Backbone interact. energy: -0.655 local terms energy: -908.096154 where: bonds (distance) C4'-P energy: -171.483 bonds (distance) P-C4' energy: -166.256 flat angles C4'-P-C4' energy: -199.775 flat angles P-C4'-P energy: -128.619 tors. eta vs tors. theta energy: -241.963 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: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2585.892137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.892137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.892137 (E_RNA) where: Base-Base interactions energy: -1755.852 where: short stacking energy: -765.319 Base-Backbone interact. energy: -1.831 local terms energy: -828.208652 where: bonds (distance) C4'-P energy: -153.361 bonds (distance) P-C4' energy: -172.576 flat angles C4'-P-C4' energy: -181.032 flat angles P-C4'-P energy: -117.794 tors. eta vs tors. theta energy: -203.446 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: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2247.640450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.640450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.640450 (E_RNA) where: Base-Base interactions energy: -1464.566 where: short stacking energy: -648.121 Base-Backbone interact. energy: -3.934 local terms energy: -779.140256 where: bonds (distance) C4'-P energy: -149.378 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -183.548 flat angles P-C4'-P energy: -112.014 tors. eta vs tors. theta energy: -182.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2052.635748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.635748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.635748 (E_RNA) where: Base-Base interactions energy: -1335.748 where: short stacking energy: -641.808 Base-Backbone interact. energy: 0.591 local terms energy: -717.478399 where: bonds (distance) C4'-P energy: -149.249 bonds (distance) P-C4' energy: -154.865 flat angles C4'-P-C4' energy: -165.921 flat angles P-C4'-P energy: -104.868 tors. eta vs tors. theta energy: -142.575 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: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1779.392990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.392990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.392990 (E_RNA) where: Base-Base interactions energy: -1150.946 where: short stacking energy: -504.573 Base-Backbone interact. energy: -0.159 local terms energy: -628.287826 where: bonds (distance) C4'-P energy: -144.911 bonds (distance) P-C4' energy: -145.566 flat angles C4'-P-C4' energy: -166.605 flat angles P-C4'-P energy: -91.369 tors. eta vs tors. theta energy: -79.837 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: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1459.482320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.482320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.482320 (E_RNA) where: Base-Base interactions energy: -884.898 where: short stacking energy: -389.578 Base-Backbone interact. energy: 6.216 local terms energy: -580.799868 where: bonds (distance) C4'-P energy: -146.574 bonds (distance) P-C4' energy: -158.406 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: -49.455 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: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -913.793723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.793723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.793723 (E_RNA) where: Base-Base interactions energy: -376.187 where: short stacking energy: -233.066 Base-Backbone interact. energy: -0.443 local terms energy: -537.164147 where: bonds (distance) C4'-P energy: -162.621 bonds (distance) P-C4' energy: -164.338 flat angles C4'-P-C4' energy: -144.524 flat angles P-C4'-P energy: -74.331 tors. eta vs tors. theta energy: 8.650 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: 218 Temperature: 1.350000 Total energy: -724.734273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.734273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.734273 (E_RNA) where: Base-Base interactions energy: -257.513 where: short stacking energy: -191.261 Base-Backbone interact. energy: -0.713 local terms energy: -466.508743 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -156.180 flat angles C4'-P-C4' energy: -116.323 flat angles P-C4'-P energy: -83.741 tors. eta vs tors. theta energy: 31.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3089.872310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.872310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.872310 (E_RNA) where: Base-Base interactions energy: -2144.573 where: short stacking energy: -873.229 Base-Backbone interact. energy: -4.668 local terms energy: -940.631324 where: bonds (distance) C4'-P energy: -182.948 bonds (distance) P-C4' energy: -171.388 flat angles C4'-P-C4' energy: -209.900 flat angles P-C4'-P energy: -131.488 tors. eta vs tors. theta energy: -244.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2914.463831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.463831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.463831 (E_RNA) where: Base-Base interactions energy: -1988.257 where: short stacking energy: -860.718 Base-Backbone interact. energy: 0.292 local terms energy: -926.499515 where: bonds (distance) C4'-P energy: -185.236 bonds (distance) P-C4' energy: -161.132 flat angles C4'-P-C4' energy: -211.855 flat angles P-C4'-P energy: -113.129 tors. eta vs tors. theta energy: -255.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2789.437168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.437168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.437168 (E_RNA) where: Base-Base interactions energy: -1882.792 where: short stacking energy: -816.285 Base-Backbone interact. energy: -0.450 local terms energy: -906.194190 where: bonds (distance) C4'-P energy: -170.554 bonds (distance) P-C4' energy: -167.105 flat angles C4'-P-C4' energy: -191.945 flat angles P-C4'-P energy: -138.996 tors. eta vs tors. theta energy: -237.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2532.070747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.070747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.070747 (E_RNA) where: Base-Base interactions energy: -1709.541 where: short stacking energy: -767.366 Base-Backbone interact. energy: -0.326 local terms energy: -822.204062 where: bonds (distance) C4'-P energy: -160.976 bonds (distance) P-C4' energy: -167.695 flat angles C4'-P-C4' energy: -183.745 flat angles P-C4'-P energy: -100.558 tors. eta vs tors. theta energy: -209.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2224.105641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.105641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.105641 (E_RNA) where: Base-Base interactions energy: -1461.870 where: short stacking energy: -645.813 Base-Backbone interact. energy: 1.441 local terms energy: -763.676928 where: bonds (distance) C4'-P energy: -148.747 bonds (distance) P-C4' energy: -167.388 flat angles C4'-P-C4' energy: -179.339 flat angles P-C4'-P energy: -102.875 tors. eta vs tors. theta energy: -165.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2085.525731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.525731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.525731 (E_RNA) where: Base-Base interactions energy: -1346.845 where: short stacking energy: -613.668 Base-Backbone interact. energy: -5.216 local terms energy: -733.464033 where: bonds (distance) C4'-P energy: -149.269 bonds (distance) P-C4' energy: -152.812 flat angles C4'-P-C4' energy: -178.311 flat angles P-C4'-P energy: -95.477 tors. eta vs tors. theta energy: -157.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1759.643472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.643472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.643472 (E_RNA) where: Base-Base interactions energy: -1080.989 where: short stacking energy: -479.419 Base-Backbone interact. energy: -2.965 local terms energy: -675.690203 where: bonds (distance) C4'-P energy: -145.440 bonds (distance) P-C4' energy: -164.504 flat angles C4'-P-C4' energy: -156.652 flat angles P-C4'-P energy: -96.162 tors. eta vs tors. theta energy: -112.932 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: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1512.892203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.892203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.892203 (E_RNA) where: Base-Base interactions energy: -905.944 where: short stacking energy: -389.186 Base-Backbone interact. energy: 1.223 local terms energy: -608.170909 where: bonds (distance) C4'-P energy: -146.457 bonds (distance) P-C4' energy: -148.525 flat angles C4'-P-C4' energy: -151.614 flat angles P-C4'-P energy: -91.871 tors. eta vs tors. theta energy: -69.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -975.173855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.173855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.173855 (E_RNA) where: Base-Base interactions energy: -448.954 where: short stacking energy: -229.102 Base-Backbone interact. energy: 5.850 local terms energy: -532.069329 where: bonds (distance) C4'-P energy: -155.836 bonds (distance) P-C4' energy: -152.511 flat angles C4'-P-C4' energy: -147.345 flat angles P-C4'-P energy: -94.929 tors. eta vs tors. theta energy: 18.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -810.729252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.729252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.729252 (E_RNA) where: Base-Base interactions energy: -314.734 where: short stacking energy: -221.006 Base-Backbone interact. energy: -0.090 local terms energy: -495.905624 where: bonds (distance) C4'-P energy: -138.514 bonds (distance) P-C4' energy: -161.111 flat angles C4'-P-C4' energy: -126.707 flat angles P-C4'-P energy: -68.890 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: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3117.830211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.830211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.830211 (E_RNA) where: Base-Base interactions energy: -2142.634 where: short stacking energy: -897.409 Base-Backbone interact. energy: -5.264 local terms energy: -969.932394 where: bonds (distance) C4'-P energy: -177.437 bonds (distance) P-C4' energy: -188.338 flat angles C4'-P-C4' energy: -214.006 flat angles P-C4'-P energy: -134.585 tors. eta vs tors. theta energy: -255.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2911.096286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.096286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.096286 (E_RNA) where: Base-Base interactions energy: -1993.130 where: short stacking energy: -880.264 Base-Backbone interact. energy: -1.488 local terms energy: -916.478187 where: bonds (distance) C4'-P energy: -179.770 bonds (distance) P-C4' energy: -180.396 flat angles C4'-P-C4' energy: -197.621 flat angles P-C4'-P energy: -109.075 tors. eta vs tors. theta energy: -249.616 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: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2798.461562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.461562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.461562 (E_RNA) where: Base-Base interactions energy: -1896.560 where: short stacking energy: -840.471 Base-Backbone interact. energy: -6.833 local terms energy: -895.068817 where: bonds (distance) C4'-P energy: -176.737 bonds (distance) P-C4' energy: -175.626 flat angles C4'-P-C4' energy: -182.452 flat angles P-C4'-P energy: -127.694 tors. eta vs tors. theta energy: -232.560 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: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2571.932074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.932074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.932074 (E_RNA) where: Base-Base interactions energy: -1736.932 where: short stacking energy: -727.544 Base-Backbone interact. energy: -3.446 local terms energy: -831.554975 where: bonds (distance) C4'-P energy: -140.443 bonds (distance) P-C4' energy: -177.326 flat angles C4'-P-C4' energy: -194.979 flat angles P-C4'-P energy: -114.151 tors. eta vs tors. theta energy: -204.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2273.116124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.116124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.116124 (E_RNA) where: Base-Base interactions energy: -1498.757 where: short stacking energy: -680.767 Base-Backbone interact. energy: -2.777 local terms energy: -771.581614 where: bonds (distance) C4'-P energy: -157.229 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -183.119 flat angles P-C4'-P energy: -103.681 tors. eta vs tors. theta energy: -190.375 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: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2053.867533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.867533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.867533 (E_RNA) where: Base-Base interactions energy: -1314.748 where: short stacking energy: -614.561 Base-Backbone interact. energy: -1.636 local terms energy: -737.484017 where: bonds (distance) C4'-P energy: -147.618 bonds (distance) P-C4' energy: -143.394 flat angles C4'-P-C4' energy: -165.096 flat angles P-C4'-P energy: -113.090 tors. eta vs tors. theta energy: -168.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1788.108960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.108960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.108960 (E_RNA) where: Base-Base interactions energy: -1118.357 where: short stacking energy: -497.875 Base-Backbone interact. energy: -2.800 local terms energy: -666.951634 where: bonds (distance) C4'-P energy: -165.289 bonds (distance) P-C4' energy: -157.458 flat angles C4'-P-C4' energy: -173.768 flat angles P-C4'-P energy: -87.309 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: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1552.751415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.751415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.751415 (E_RNA) where: Base-Base interactions energy: -989.640 where: short stacking energy: -445.152 Base-Backbone interact. energy: 4.790 local terms energy: -567.901790 where: bonds (distance) C4'-P energy: -144.631 bonds (distance) P-C4' energy: -146.124 flat angles C4'-P-C4' energy: -137.963 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -66.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -922.059745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.059745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.059745 (E_RNA) where: Base-Base interactions energy: -412.712 where: short stacking energy: -239.167 Base-Backbone interact. energy: -2.696 local terms energy: -506.651870 where: bonds (distance) C4'-P energy: -164.084 bonds (distance) P-C4' energy: -150.510 flat angles C4'-P-C4' energy: -121.367 flat angles P-C4'-P energy: -89.221 tors. eta vs tors. theta energy: 18.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -737.179738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.179738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.179738 (E_RNA) where: Base-Base interactions energy: -268.332 where: short stacking energy: -193.998 Base-Backbone interact. energy: -0.243 local terms energy: -468.604979 where: bonds (distance) C4'-P energy: -133.905 bonds (distance) P-C4' energy: -153.747 flat angles C4'-P-C4' energy: -120.518 flat angles P-C4'-P energy: -85.065 tors. eta vs tors. theta energy: 24.630 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: 221 Temperature: 0.900000 Total energy: -3091.910346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.910346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.910346 (E_RNA) where: Base-Base interactions energy: -2132.300 where: short stacking energy: -897.660 Base-Backbone interact. energy: -0.399 local terms energy: -959.211180 where: bonds (distance) C4'-P energy: -165.371 bonds (distance) P-C4' energy: -176.415 flat angles C4'-P-C4' energy: -216.442 flat angles P-C4'-P energy: -145.855 tors. eta vs tors. theta energy: -255.128 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: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2917.776677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.776677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.776677 (E_RNA) where: Base-Base interactions energy: -1990.544 where: short stacking energy: -869.764 Base-Backbone interact. energy: -2.621 local terms energy: -924.611647 where: bonds (distance) C4'-P energy: -176.949 bonds (distance) P-C4' energy: -179.812 flat angles C4'-P-C4' energy: -200.949 flat angles P-C4'-P energy: -129.805 tors. eta vs tors. theta energy: -237.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2757.923303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.923303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.923303 (E_RNA) where: Base-Base interactions energy: -1855.585 where: short stacking energy: -812.673 Base-Backbone interact. energy: -2.417 local terms energy: -899.921214 where: bonds (distance) C4'-P energy: -165.577 bonds (distance) P-C4' energy: -174.143 flat angles C4'-P-C4' energy: -195.681 flat angles P-C4'-P energy: -129.495 tors. eta vs tors. theta energy: -235.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2563.636111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.636111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.636111 (E_RNA) where: Base-Base interactions energy: -1706.190 where: short stacking energy: -718.913 Base-Backbone interact. energy: -5.623 local terms energy: -851.823331 where: bonds (distance) C4'-P energy: -161.533 bonds (distance) P-C4' energy: -172.583 flat angles C4'-P-C4' energy: -192.825 flat angles P-C4'-P energy: -116.709 tors. eta vs tors. theta energy: -208.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2318.689272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.689272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.689272 (E_RNA) where: Base-Base interactions energy: -1513.039 where: short stacking energy: -701.249 Base-Backbone interact. energy: 0.660 local terms energy: -806.310547 where: bonds (distance) C4'-P energy: -155.068 bonds (distance) P-C4' energy: -182.204 flat angles C4'-P-C4' energy: -181.620 flat angles P-C4'-P energy: -101.958 tors. eta vs tors. theta energy: -185.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1990.484510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.484510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.484510 (E_RNA) where: Base-Base interactions energy: -1240.398 where: short stacking energy: -604.651 Base-Backbone interact. energy: -3.945 local terms energy: -746.141766 where: bonds (distance) C4'-P energy: -139.264 bonds (distance) P-C4' energy: -165.706 flat angles C4'-P-C4' energy: -180.657 flat angles P-C4'-P energy: -113.071 tors. eta vs tors. theta energy: -147.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1776.459235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.459235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.459235 (E_RNA) where: Base-Base interactions energy: -1134.009 where: short stacking energy: -505.071 Base-Backbone interact. energy: 5.838 local terms energy: -648.287913 where: bonds (distance) C4'-P energy: -145.170 bonds (distance) P-C4' energy: -153.905 flat angles C4'-P-C4' energy: -146.923 flat angles P-C4'-P energy: -89.239 tors. eta vs tors. theta energy: -113.051 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: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1592.638098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.638098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.638098 (E_RNA) where: Base-Base interactions energy: -972.006 where: short stacking energy: -436.748 Base-Backbone interact. energy: -3.654 local terms energy: -616.978389 where: bonds (distance) C4'-P energy: -126.004 bonds (distance) P-C4' energy: -141.077 flat angles C4'-P-C4' energy: -159.081 flat angles P-C4'-P energy: -108.818 tors. eta vs tors. theta energy: -81.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -912.451803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.451803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.451803 (E_RNA) where: Base-Base interactions energy: -416.343 where: short stacking energy: -242.564 Base-Backbone interact. energy: -0.601 local terms energy: -495.507372 where: bonds (distance) C4'-P energy: -161.144 bonds (distance) P-C4' energy: -143.654 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -70.072 tors. eta vs tors. theta energy: 10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -775.810421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.810421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.810421 (E_RNA) where: Base-Base interactions energy: -299.193 where: short stacking energy: -215.881 Base-Backbone interact. energy: -3.364 local terms energy: -473.252653 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -135.284 flat angles C4'-P-C4' energy: -118.349 flat angles P-C4'-P energy: -80.643 tors. eta vs tors. theta energy: 4.145 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: 222 Temperature: 0.900000 Total energy: -3105.090922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.090922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.090922 (E_RNA) where: Base-Base interactions energy: -2141.271 where: short stacking energy: -879.707 Base-Backbone interact. energy: -0.882 local terms energy: -962.937862 where: bonds (distance) C4'-P energy: -166.962 bonds (distance) P-C4' energy: -196.811 flat angles C4'-P-C4' energy: -201.877 flat angles P-C4'-P energy: -157.648 tors. eta vs tors. theta energy: -239.640 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: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2892.295192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.295192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.295192 (E_RNA) where: Base-Base interactions energy: -1954.730 where: short stacking energy: -851.830 Base-Backbone interact. energy: -0.034 local terms energy: -937.530842 where: bonds (distance) C4'-P energy: -189.286 bonds (distance) P-C4' energy: -184.131 flat angles C4'-P-C4' energy: -198.348 flat angles P-C4'-P energy: -122.882 tors. eta vs tors. theta energy: -242.884 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2746.917845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.917845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.917845 (E_RNA) where: Base-Base interactions energy: -1835.203 where: short stacking energy: -794.938 Base-Backbone interact. energy: 4.837 local terms energy: -916.551637 where: bonds (distance) C4'-P energy: -178.334 bonds (distance) P-C4' energy: -180.839 flat angles C4'-P-C4' energy: -198.457 flat angles P-C4'-P energy: -128.557 tors. eta vs tors. theta energy: -230.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2566.193585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.193585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.193585 (E_RNA) where: Base-Base interactions energy: -1730.963 where: short stacking energy: -756.025 Base-Backbone interact. energy: -1.229 local terms energy: -834.001585 where: bonds (distance) C4'-P energy: -166.128 bonds (distance) P-C4' energy: -169.395 flat angles C4'-P-C4' energy: -195.092 flat angles P-C4'-P energy: -114.869 tors. eta vs tors. theta energy: -188.518 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: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2283.334564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.334564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.334564 (E_RNA) where: Base-Base interactions energy: -1465.878 where: short stacking energy: -657.265 Base-Backbone interact. energy: 2.165 local terms energy: -819.622231 where: bonds (distance) C4'-P energy: -146.311 bonds (distance) P-C4' energy: -175.961 flat angles C4'-P-C4' energy: -191.062 flat angles P-C4'-P energy: -117.940 tors. eta vs tors. theta energy: -188.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2120.491182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.491182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.491182 (E_RNA) where: Base-Base interactions energy: -1378.410 where: short stacking energy: -625.495 Base-Backbone interact. energy: -0.459 local terms energy: -741.621750 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -170.446 flat angles C4'-P-C4' energy: -168.610 flat angles P-C4'-P energy: -98.841 tors. eta vs tors. theta energy: -163.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1877.458600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.458600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.458600 (E_RNA) where: Base-Base interactions energy: -1227.756 where: short stacking energy: -523.585 Base-Backbone interact. energy: 2.704 local terms energy: -652.406810 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -161.185 flat angles C4'-P-C4' energy: -159.344 flat angles P-C4'-P energy: -98.873 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: 8, replica: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1579.982611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.982611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.982611 (E_RNA) where: Base-Base interactions energy: -1008.714 where: short stacking energy: -443.429 Base-Backbone interact. energy: 1.228 local terms energy: -572.496177 where: bonds (distance) C4'-P energy: -147.353 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -147.563 flat angles P-C4'-P energy: -61.198 tors. eta vs tors. theta energy: -76.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1009.728388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.728388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.728388 (E_RNA) where: Base-Base interactions energy: -439.556 where: short stacking energy: -282.739 Base-Backbone interact. energy: -1.384 local terms energy: -568.788576 where: bonds (distance) C4'-P energy: -143.971 bonds (distance) P-C4' energy: -166.852 flat angles C4'-P-C4' energy: -147.089 flat angles P-C4'-P energy: -83.068 tors. eta vs tors. theta energy: -27.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -790.280053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.280053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.280053 (E_RNA) where: Base-Base interactions energy: -323.521 where: short stacking energy: -229.325 Base-Backbone interact. energy: -2.150 local terms energy: -464.608316 where: bonds (distance) C4'-P energy: -132.757 bonds (distance) P-C4' energy: -155.268 flat angles C4'-P-C4' energy: -131.889 flat angles P-C4'-P energy: -76.073 tors. eta vs tors. theta energy: 31.378 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: 223 Temperature: 0.900000 Total energy: -3062.648697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.648697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.648697 (E_RNA) where: Base-Base interactions energy: -2101.773 where: short stacking energy: -873.835 Base-Backbone interact. energy: -6.363 local terms energy: -954.512799 where: bonds (distance) C4'-P energy: -168.811 bonds (distance) P-C4' energy: -187.797 flat angles C4'-P-C4' energy: -204.721 flat angles P-C4'-P energy: -146.816 tors. eta vs tors. theta energy: -246.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2876.745449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.745449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.745449 (E_RNA) where: Base-Base interactions energy: -1926.646 where: short stacking energy: -854.813 Base-Backbone interact. energy: -2.012 local terms energy: -948.087567 where: bonds (distance) C4'-P energy: -181.619 bonds (distance) P-C4' energy: -185.262 flat angles C4'-P-C4' energy: -205.120 flat angles P-C4'-P energy: -133.160 tors. eta vs tors. theta energy: -242.927 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: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2782.446786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.446786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.446786 (E_RNA) where: Base-Base interactions energy: -1897.516 where: short stacking energy: -815.400 Base-Backbone interact. energy: 0.325 local terms energy: -885.255358 where: bonds (distance) C4'-P energy: -169.293 bonds (distance) P-C4' energy: -184.730 flat angles C4'-P-C4' energy: -195.269 flat angles P-C4'-P energy: -99.941 tors. eta vs tors. theta energy: -236.023 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: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2496.628314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.628314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.628314 (E_RNA) where: Base-Base interactions energy: -1708.951 where: short stacking energy: -725.831 Base-Backbone interact. energy: 2.281 local terms energy: -789.958596 where: bonds (distance) C4'-P energy: -151.432 bonds (distance) P-C4' energy: -169.453 flat angles C4'-P-C4' energy: -182.421 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -188.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2288.535898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.535898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.535898 (E_RNA) where: Base-Base interactions energy: -1485.725 where: short stacking energy: -686.135 Base-Backbone interact. energy: -3.338 local terms energy: -799.472747 where: bonds (distance) C4'-P energy: -164.783 bonds (distance) P-C4' energy: -171.568 flat angles C4'-P-C4' energy: -172.143 flat angles P-C4'-P energy: -102.541 tors. eta vs tors. theta energy: -188.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2096.241166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.241166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.241166 (E_RNA) where: Base-Base interactions energy: -1355.587 where: short stacking energy: -616.530 Base-Backbone interact. energy: 0.810 local terms energy: -741.464117 where: bonds (distance) C4'-P energy: -151.900 bonds (distance) P-C4' energy: -159.133 flat angles C4'-P-C4' energy: -170.227 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -159.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1833.714061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.714061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.714061 (E_RNA) where: Base-Base interactions energy: -1143.897 where: short stacking energy: -498.403 Base-Backbone interact. energy: -1.870 local terms energy: -687.946812 where: bonds (distance) C4'-P energy: -136.192 bonds (distance) P-C4' energy: -171.491 flat angles C4'-P-C4' energy: -171.102 flat angles P-C4'-P energy: -108.745 tors. eta vs tors. theta energy: -100.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1558.488188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.488188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.488188 (E_RNA) where: Base-Base interactions energy: -971.952 where: short stacking energy: -403.465 Base-Backbone interact. energy: -2.291 local terms energy: -584.244428 where: bonds (distance) C4'-P energy: -155.238 bonds (distance) P-C4' energy: -154.868 flat angles C4'-P-C4' energy: -135.284 flat angles P-C4'-P energy: -73.395 tors. eta vs tors. theta energy: -65.459 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: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -956.813146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.813146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.813146 (E_RNA) where: Base-Base interactions energy: -452.172 where: short stacking energy: -293.185 Base-Backbone interact. energy: 7.451 local terms energy: -512.092920 where: bonds (distance) C4'-P energy: -127.251 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -129.844 flat angles P-C4'-P energy: -85.561 tors. eta vs tors. theta energy: -22.895 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: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -714.972431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.972431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.972431 (E_RNA) where: Base-Base interactions energy: -282.691 where: short stacking energy: -188.145 Base-Backbone interact. energy: -3.006 local terms energy: -429.274826 where: bonds (distance) C4'-P energy: -151.642 bonds (distance) P-C4' energy: -121.514 flat angles C4'-P-C4' energy: -112.611 flat angles P-C4'-P energy: -77.173 tors. eta vs tors. theta energy: 33.665 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: 224 Temperature: 0.900000 Total energy: -3060.671276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.671276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.671276 (E_RNA) where: Base-Base interactions energy: -2118.993 where: short stacking energy: -883.368 Base-Backbone interact. energy: -2.205 local terms energy: -939.473395 where: bonds (distance) C4'-P energy: -185.585 bonds (distance) P-C4' energy: -175.098 flat angles C4'-P-C4' energy: -202.370 flat angles P-C4'-P energy: -126.494 tors. eta vs tors. theta energy: -249.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2953.845827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.845827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.845827 (E_RNA) where: Base-Base interactions energy: -2008.631 where: short stacking energy: -861.535 Base-Backbone interact. energy: 1.972 local terms energy: -947.187036 where: bonds (distance) C4'-P energy: -158.593 bonds (distance) P-C4' energy: -184.264 flat angles C4'-P-C4' energy: -207.761 flat angles P-C4'-P energy: -146.656 tors. eta vs tors. theta energy: -249.913 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: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2783.497555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.497555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.497555 (E_RNA) where: Base-Base interactions energy: -1884.304 where: short stacking energy: -822.480 Base-Backbone interact. energy: -3.420 local terms energy: -895.773428 where: bonds (distance) C4'-P energy: -173.151 bonds (distance) P-C4' energy: -168.315 flat angles C4'-P-C4' energy: -200.694 flat angles P-C4'-P energy: -119.439 tors. eta vs tors. theta energy: -234.174 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: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2499.480156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.480156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.480156 (E_RNA) where: Base-Base interactions energy: -1640.563 where: short stacking energy: -733.803 Base-Backbone interact. energy: -1.430 local terms energy: -857.486721 where: bonds (distance) C4'-P energy: -168.324 bonds (distance) P-C4' energy: -164.243 flat angles C4'-P-C4' energy: -187.996 flat angles P-C4'-P energy: -131.512 tors. eta vs tors. theta energy: -205.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2164.973824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.973824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.973824 (E_RNA) where: Base-Base interactions energy: -1372.768 where: short stacking energy: -611.677 Base-Backbone interact. energy: -4.151 local terms energy: -788.054224 where: bonds (distance) C4'-P energy: -160.612 bonds (distance) P-C4' energy: -174.104 flat angles C4'-P-C4' energy: -173.558 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -182.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2058.275152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.275152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.275152 (E_RNA) where: Base-Base interactions energy: -1279.978 where: short stacking energy: -582.687 Base-Backbone interact. energy: -1.403 local terms energy: -776.894926 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -171.130 flat angles C4'-P-C4' energy: -179.972 flat angles P-C4'-P energy: -109.752 tors. eta vs tors. theta energy: -166.717 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: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1776.029469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.029469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.029469 (E_RNA) where: Base-Base interactions energy: -1107.063 where: short stacking energy: -508.969 Base-Backbone interact. energy: 4.047 local terms energy: -673.013954 where: bonds (distance) C4'-P energy: -130.253 bonds (distance) P-C4' energy: -154.215 flat angles C4'-P-C4' energy: -167.725 flat angles P-C4'-P energy: -119.084 tors. eta vs tors. theta energy: -101.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1566.092883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.092883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.092883 (E_RNA) where: Base-Base interactions energy: -937.415 where: short stacking energy: -422.129 Base-Backbone interact. energy: -1.130 local terms energy: -627.548421 where: bonds (distance) C4'-P energy: -155.274 bonds (distance) P-C4' energy: -161.009 flat angles C4'-P-C4' energy: -149.124 flat angles P-C4'-P energy: -100.330 tors. eta vs tors. theta energy: -61.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -957.302772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.302772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.302772 (E_RNA) where: Base-Base interactions energy: -438.143 where: short stacking energy: -265.466 Base-Backbone interact. energy: -0.321 local terms energy: -518.839580 where: bonds (distance) C4'-P energy: -130.733 bonds (distance) P-C4' energy: -176.144 flat angles C4'-P-C4' energy: -137.466 flat angles P-C4'-P energy: -83.672 tors. eta vs tors. theta energy: 9.175 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: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -711.819548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.819548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.819548 (E_RNA) where: Base-Base interactions energy: -255.543 where: short stacking energy: -193.384 Base-Backbone interact. energy: 1.048 local terms energy: -457.324780 where: bonds (distance) C4'-P energy: -144.674 bonds (distance) P-C4' energy: -153.335 flat angles C4'-P-C4' energy: -136.659 flat angles P-C4'-P energy: -64.935 tors. eta vs tors. theta energy: 42.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3060.886517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.886517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.886517 (E_RNA) where: Base-Base interactions energy: -2110.210 where: short stacking energy: -870.899 Base-Backbone interact. energy: -5.625 local terms energy: -945.051817 where: bonds (distance) C4'-P energy: -182.158 bonds (distance) P-C4' energy: -179.327 flat angles C4'-P-C4' energy: -210.084 flat angles P-C4'-P energy: -133.525 tors. eta vs tors. theta energy: -239.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2951.344910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.344910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.344910 (E_RNA) where: Base-Base interactions energy: -2005.478 where: short stacking energy: -878.133 Base-Backbone interact. energy: 1.889 local terms energy: -947.755689 where: bonds (distance) C4'-P energy: -162.235 bonds (distance) P-C4' energy: -190.704 flat angles C4'-P-C4' energy: -201.383 flat angles P-C4'-P energy: -134.057 tors. eta vs tors. theta energy: -259.377 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: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2799.474575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.474575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.474575 (E_RNA) where: Base-Base interactions energy: -1908.387 where: short stacking energy: -828.828 Base-Backbone interact. energy: 1.570 local terms energy: -892.657382 where: bonds (distance) C4'-P energy: -168.217 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -202.075 flat angles P-C4'-P energy: -128.966 tors. eta vs tors. theta energy: -236.352 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: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2480.622456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.622456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.622456 (E_RNA) where: Base-Base interactions energy: -1673.415 where: short stacking energy: -730.857 Base-Backbone interact. energy: -2.694 local terms energy: -804.513442 where: bonds (distance) C4'-P energy: -154.787 bonds (distance) P-C4' energy: -157.151 flat angles C4'-P-C4' energy: -194.551 flat angles P-C4'-P energy: -103.190 tors. eta vs tors. theta energy: -194.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2237.661809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.661809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.661809 (E_RNA) where: Base-Base interactions energy: -1435.263 where: short stacking energy: -648.681 Base-Backbone interact. energy: -2.884 local terms energy: -799.514024 where: bonds (distance) C4'-P energy: -171.933 bonds (distance) P-C4' energy: -170.101 flat angles C4'-P-C4' energy: -172.731 flat angles P-C4'-P energy: -113.578 tors. eta vs tors. theta energy: -171.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2018.035405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.035405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.035405 (E_RNA) where: Base-Base interactions energy: -1274.633 where: short stacking energy: -585.888 Base-Backbone interact. energy: -2.036 local terms energy: -741.365900 where: bonds (distance) C4'-P energy: -158.583 bonds (distance) P-C4' energy: -159.014 flat angles C4'-P-C4' energy: -174.751 flat angles P-C4'-P energy: -87.556 tors. eta vs tors. theta energy: -161.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1814.057628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.057628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.057628 (E_RNA) where: Base-Base interactions energy: -1147.219 where: short stacking energy: -491.426 Base-Backbone interact. energy: 2.465 local terms energy: -669.303680 where: bonds (distance) C4'-P energy: -150.109 bonds (distance) P-C4' energy: -144.713 flat angles C4'-P-C4' energy: -172.324 flat angles P-C4'-P energy: -107.181 tors. eta vs tors. theta energy: -94.977 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: 8, replica: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1493.122904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.122904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.122904 (E_RNA) where: Base-Base interactions energy: -873.708 where: short stacking energy: -408.695 Base-Backbone interact. energy: -1.110 local terms energy: -618.305177 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -168.065 flat angles C4'-P-C4' energy: -142.144 flat angles P-C4'-P energy: -110.903 tors. eta vs tors. theta energy: -59.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -956.806839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.806839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.806839 (E_RNA) where: Base-Base interactions energy: -450.826 where: short stacking energy: -259.368 Base-Backbone interact. energy: -0.919 local terms energy: -505.061364 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -145.509 flat angles C4'-P-C4' energy: -133.056 flat angles P-C4'-P energy: -78.653 tors. eta vs tors. theta energy: -8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -695.626026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.626026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.626026 (E_RNA) where: Base-Base interactions energy: -247.535 where: short stacking energy: -166.194 Base-Backbone interact. energy: -2.114 local terms energy: -445.977297 where: bonds (distance) C4'-P energy: -145.462 bonds (distance) P-C4' energy: -146.144 flat angles C4'-P-C4' energy: -111.046 flat angles P-C4'-P energy: -87.478 tors. eta vs tors. theta energy: 44.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3101.532751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.532751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.532751 (E_RNA) where: Base-Base interactions energy: -2117.970 where: short stacking energy: -877.296 Base-Backbone interact. energy: -6.695 local terms energy: -976.867136 where: bonds (distance) C4'-P energy: -183.839 bonds (distance) P-C4' energy: -186.976 flat angles C4'-P-C4' energy: -211.986 flat angles P-C4'-P energy: -137.734 tors. eta vs tors. theta energy: -256.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -3009.399390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.399390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.399390 (E_RNA) where: Base-Base interactions energy: -2046.618 where: short stacking energy: -885.656 Base-Backbone interact. energy: 1.460 local terms energy: -964.241981 where: bonds (distance) C4'-P energy: -174.659 bonds (distance) P-C4' energy: -187.249 flat angles C4'-P-C4' energy: -216.459 flat angles P-C4'-P energy: -125.684 tors. eta vs tors. theta energy: -260.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2748.059598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.059598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.059598 (E_RNA) where: Base-Base interactions energy: -1856.804 where: short stacking energy: -837.609 Base-Backbone interact. energy: 0.118 local terms energy: -891.372941 where: bonds (distance) C4'-P energy: -174.877 bonds (distance) P-C4' energy: -172.174 flat angles C4'-P-C4' energy: -193.593 flat angles P-C4'-P energy: -120.515 tors. eta vs tors. theta energy: -230.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2567.887248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.887248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.887248 (E_RNA) where: Base-Base interactions energy: -1725.347 where: short stacking energy: -737.835 Base-Backbone interact. energy: 6.718 local terms energy: -849.258029 where: bonds (distance) C4'-P energy: -168.075 bonds (distance) P-C4' energy: -168.694 flat angles C4'-P-C4' energy: -184.496 flat angles P-C4'-P energy: -120.882 tors. eta vs tors. theta energy: -207.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2215.816869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.816869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.816869 (E_RNA) where: Base-Base interactions energy: -1422.149 where: short stacking energy: -686.847 Base-Backbone interact. energy: 0.027 local terms energy: -793.694398 where: bonds (distance) C4'-P energy: -150.309 bonds (distance) P-C4' energy: -166.987 flat angles C4'-P-C4' energy: -179.068 flat angles P-C4'-P energy: -119.578 tors. eta vs tors. theta energy: -177.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2030.410318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.410318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.410318 (E_RNA) where: Base-Base interactions energy: -1294.173 where: short stacking energy: -559.810 Base-Backbone interact. energy: -3.403 local terms energy: -732.833646 where: bonds (distance) C4'-P energy: -136.366 bonds (distance) P-C4' energy: -165.641 flat angles C4'-P-C4' energy: -181.052 flat angles P-C4'-P energy: -111.507 tors. eta vs tors. theta energy: -138.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1799.210786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.210786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.210786 (E_RNA) where: Base-Base interactions energy: -1157.636 where: short stacking energy: -494.194 Base-Backbone interact. energy: 5.893 local terms energy: -647.468293 where: bonds (distance) C4'-P energy: -161.947 bonds (distance) P-C4' energy: -138.849 flat angles C4'-P-C4' energy: -160.392 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -92.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1478.504288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.504288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.504288 (E_RNA) where: Base-Base interactions energy: -898.834 where: short stacking energy: -387.675 Base-Backbone interact. energy: -0.475 local terms energy: -579.195744 where: bonds (distance) C4'-P energy: -135.209 bonds (distance) P-C4' energy: -158.434 flat angles C4'-P-C4' energy: -155.636 flat angles P-C4'-P energy: -76.553 tors. eta vs tors. theta energy: -53.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1047.384023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.384023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.384023 (E_RNA) where: Base-Base interactions energy: -535.122 where: short stacking energy: -271.390 Base-Backbone interact. energy: 6.198 local terms energy: -518.460180 where: bonds (distance) C4'-P energy: -149.145 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -140.906 flat angles P-C4'-P energy: -83.669 tors. eta vs tors. theta energy: 2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -679.750247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.750247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.750247 (E_RNA) where: Base-Base interactions energy: -234.910 where: short stacking energy: -166.979 Base-Backbone interact. energy: -1.317 local terms energy: -443.523681 where: bonds (distance) C4'-P energy: -146.798 bonds (distance) P-C4' energy: -133.794 flat angles C4'-P-C4' energy: -112.900 flat angles P-C4'-P energy: -79.458 tors. eta vs tors. theta energy: 29.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3089.360569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.360569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.360569 (E_RNA) where: Base-Base interactions energy: -2134.892 where: short stacking energy: -888.567 Base-Backbone interact. energy: -0.100 local terms energy: -954.368440 where: bonds (distance) C4'-P energy: -181.491 bonds (distance) P-C4' energy: -167.825 flat angles C4'-P-C4' energy: -212.129 flat angles P-C4'-P energy: -138.670 tors. eta vs tors. theta energy: -254.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2984.568048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.568048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.568048 (E_RNA) where: Base-Base interactions energy: -2017.874 where: short stacking energy: -873.900 Base-Backbone interact. energy: 1.065 local terms energy: -967.759048 where: bonds (distance) C4'-P energy: -189.109 bonds (distance) P-C4' energy: -169.558 flat angles C4'-P-C4' energy: -201.848 flat angles P-C4'-P energy: -139.123 tors. eta vs tors. theta energy: -268.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2789.643798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.643798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.643798 (E_RNA) where: Base-Base interactions energy: -1883.950 where: short stacking energy: -831.218 Base-Backbone interact. energy: 0.421 local terms energy: -906.114573 where: bonds (distance) C4'-P energy: -169.078 bonds (distance) P-C4' energy: -166.130 flat angles C4'-P-C4' energy: -187.162 flat angles P-C4'-P energy: -135.476 tors. eta vs tors. theta energy: -248.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2519.725793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.725793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.725793 (E_RNA) where: Base-Base interactions energy: -1701.710 where: short stacking energy: -749.166 Base-Backbone interact. energy: 0.152 local terms energy: -818.167858 where: bonds (distance) C4'-P energy: -155.230 bonds (distance) P-C4' energy: -153.474 flat angles C4'-P-C4' energy: -181.833 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -214.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2215.698454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.698454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.698454 (E_RNA) where: Base-Base interactions energy: -1438.936 where: short stacking energy: -678.837 Base-Backbone interact. energy: -3.081 local terms energy: -773.680740 where: bonds (distance) C4'-P energy: -154.727 bonds (distance) P-C4' energy: -170.862 flat angles C4'-P-C4' energy: -174.972 flat angles P-C4'-P energy: -98.418 tors. eta vs tors. theta energy: -174.701 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: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2010.013307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.013307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.013307 (E_RNA) where: Base-Base interactions energy: -1318.685 where: short stacking energy: -617.327 Base-Backbone interact. energy: -3.494 local terms energy: -687.834312 where: bonds (distance) C4'-P energy: -125.422 bonds (distance) P-C4' energy: -157.504 flat angles C4'-P-C4' energy: -162.575 flat angles P-C4'-P energy: -109.772 tors. eta vs tors. theta energy: -132.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1726.231871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.231871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.231871 (E_RNA) where: Base-Base interactions energy: -1084.165 where: short stacking energy: -459.525 Base-Backbone interact. energy: -2.126 local terms energy: -639.940710 where: bonds (distance) C4'-P energy: -154.871 bonds (distance) P-C4' energy: -174.161 flat angles C4'-P-C4' energy: -154.401 flat angles P-C4'-P energy: -96.215 tors. eta vs tors. theta energy: -60.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1462.448587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.448587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.448587 (E_RNA) where: Base-Base interactions energy: -845.387 where: short stacking energy: -423.017 Base-Backbone interact. energy: -0.669 local terms energy: -616.392842 where: bonds (distance) C4'-P energy: -152.083 bonds (distance) P-C4' energy: -157.060 flat angles C4'-P-C4' energy: -151.252 flat angles P-C4'-P energy: -89.525 tors. eta vs tors. theta energy: -66.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1081.414485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.414485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.414485 (E_RNA) where: Base-Base interactions energy: -550.589 where: short stacking energy: -306.309 Base-Backbone interact. energy: -0.802 local terms energy: -530.024048 where: bonds (distance) C4'-P energy: -146.742 bonds (distance) P-C4' energy: -141.768 flat angles C4'-P-C4' energy: -130.461 flat angles P-C4'-P energy: -78.271 tors. eta vs tors. theta energy: -32.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -697.401696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.401696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.401696 (E_RNA) where: Base-Base interactions energy: -225.209 where: short stacking energy: -184.879 Base-Backbone interact. energy: 0.987 local terms energy: -473.179840 where: bonds (distance) C4'-P energy: -165.223 bonds (distance) P-C4' energy: -140.201 flat angles C4'-P-C4' energy: -127.788 flat angles P-C4'-P energy: -72.676 tors. eta vs tors. theta energy: 32.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3066.912907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.912907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.912907 (E_RNA) where: Base-Base interactions energy: -2110.738 where: short stacking energy: -849.560 Base-Backbone interact. energy: -3.259 local terms energy: -952.915629 where: bonds (distance) C4'-P energy: -175.716 bonds (distance) P-C4' energy: -200.820 flat angles C4'-P-C4' energy: -203.196 flat angles P-C4'-P energy: -128.013 tors. eta vs tors. theta energy: -245.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2946.296351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.296351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.296351 (E_RNA) where: Base-Base interactions energy: -1999.405 where: short stacking energy: -871.219 Base-Backbone interact. energy: -3.770 local terms energy: -943.121263 where: bonds (distance) C4'-P energy: -178.972 bonds (distance) P-C4' energy: -195.522 flat angles C4'-P-C4' energy: -181.736 flat angles P-C4'-P energy: -134.986 tors. eta vs tors. theta energy: -251.906 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: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2774.278082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.278082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.278082 (E_RNA) where: Base-Base interactions energy: -1862.294 where: short stacking energy: -829.319 Base-Backbone interact. energy: -0.031 local terms energy: -911.952906 where: bonds (distance) C4'-P energy: -191.207 bonds (distance) P-C4' energy: -172.884 flat angles C4'-P-C4' energy: -184.451 flat angles P-C4'-P energy: -125.703 tors. eta vs tors. theta energy: -237.708 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: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2515.462474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.462474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.462474 (E_RNA) where: Base-Base interactions energy: -1675.718 where: short stacking energy: -710.678 Base-Backbone interact. energy: -1.990 local terms energy: -837.754375 where: bonds (distance) C4'-P energy: -147.721 bonds (distance) P-C4' energy: -181.464 flat angles C4'-P-C4' energy: -177.045 flat angles P-C4'-P energy: -120.340 tors. eta vs tors. theta energy: -211.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2228.781837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.781837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.781837 (E_RNA) where: Base-Base interactions energy: -1466.295 where: short stacking energy: -661.898 Base-Backbone interact. energy: 2.491 local terms energy: -764.977138 where: bonds (distance) C4'-P energy: -131.879 bonds (distance) P-C4' energy: -163.787 flat angles C4'-P-C4' energy: -194.735 flat angles P-C4'-P energy: -122.321 tors. eta vs tors. theta energy: -152.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2060.329570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.329570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.329570 (E_RNA) where: Base-Base interactions energy: -1304.462 where: short stacking energy: -627.336 Base-Backbone interact. energy: -1.302 local terms energy: -754.565360 where: bonds (distance) C4'-P energy: -142.129 bonds (distance) P-C4' energy: -163.021 flat angles C4'-P-C4' energy: -181.622 flat angles P-C4'-P energy: -103.487 tors. eta vs tors. theta energy: -164.306 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: 228 Temperature: 1.200000 Total energy: -1722.624755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.624755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.624755 (E_RNA) where: Base-Base interactions energy: -1077.457 where: short stacking energy: -478.663 Base-Backbone interact. energy: 1.779 local terms energy: -646.946586 where: bonds (distance) C4'-P energy: -161.977 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -156.754 flat angles P-C4'-P energy: -89.881 tors. eta vs tors. theta energy: -86.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1482.653755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.653755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.653755 (E_RNA) where: Base-Base interactions energy: -840.309 where: short stacking energy: -399.934 Base-Backbone interact. energy: -1.491 local terms energy: -640.853516 where: bonds (distance) C4'-P energy: -159.029 bonds (distance) P-C4' energy: -165.322 flat angles C4'-P-C4' energy: -163.876 flat angles P-C4'-P energy: -95.548 tors. eta vs tors. theta energy: -57.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1025.276071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.276071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.276071 (E_RNA) where: Base-Base interactions energy: -518.907 where: short stacking energy: -267.818 Base-Backbone interact. energy: 1.886 local terms energy: -508.255377 where: bonds (distance) C4'-P energy: -121.715 bonds (distance) P-C4' energy: -171.200 flat angles C4'-P-C4' energy: -139.490 flat angles P-C4'-P energy: -66.358 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: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -691.785791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.785791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.785791 (E_RNA) where: Base-Base interactions energy: -220.054 where: short stacking energy: -174.481 Base-Backbone interact. energy: 1.336 local terms energy: -473.067523 where: bonds (distance) C4'-P energy: -151.581 bonds (distance) P-C4' energy: -175.784 flat angles C4'-P-C4' energy: -116.341 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: 47.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3073.820309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.820309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.820309 (E_RNA) where: Base-Base interactions energy: -2120.583 where: short stacking energy: -896.280 Base-Backbone interact. energy: -6.621 local terms energy: -946.616173 where: bonds (distance) C4'-P energy: -178.247 bonds (distance) P-C4' energy: -186.017 flat angles C4'-P-C4' energy: -206.182 flat angles P-C4'-P energy: -133.673 tors. eta vs tors. theta energy: -242.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2942.269715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.269715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.269715 (E_RNA) where: Base-Base interactions energy: -2004.932 where: short stacking energy: -892.542 Base-Backbone interact. energy: -0.281 local terms energy: -937.056124 where: bonds (distance) C4'-P energy: -172.071 bonds (distance) P-C4' energy: -176.613 flat angles C4'-P-C4' energy: -203.870 flat angles P-C4'-P energy: -127.122 tors. eta vs tors. theta energy: -257.380 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: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2775.982993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.982993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.982993 (E_RNA) where: Base-Base interactions energy: -1827.862 where: short stacking energy: -824.684 Base-Backbone interact. energy: -2.675 local terms energy: -945.445716 where: bonds (distance) C4'-P energy: -181.842 bonds (distance) P-C4' energy: -178.644 flat angles C4'-P-C4' energy: -196.868 flat angles P-C4'-P energy: -140.129 tors. eta vs tors. theta energy: -247.963 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: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2532.102831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.102831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.102831 (E_RNA) where: Base-Base interactions energy: -1695.534 where: short stacking energy: -763.415 Base-Backbone interact. energy: 1.036 local terms energy: -837.605313 where: bonds (distance) C4'-P energy: -167.015 bonds (distance) P-C4' energy: -152.248 flat angles C4'-P-C4' energy: -184.049 flat angles P-C4'-P energy: -117.076 tors. eta vs tors. theta energy: -217.216 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: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2193.630044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.630044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.630044 (E_RNA) where: Base-Base interactions energy: -1396.376 where: short stacking energy: -639.002 Base-Backbone interact. energy: 1.132 local terms energy: -798.386567 where: bonds (distance) C4'-P energy: -161.214 bonds (distance) P-C4' energy: -180.272 flat angles C4'-P-C4' energy: -170.963 flat angles P-C4'-P energy: -120.526 tors. eta vs tors. theta energy: -165.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2055.637009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.637009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.637009 (E_RNA) where: Base-Base interactions energy: -1346.606 where: short stacking energy: -603.478 Base-Backbone interact. energy: -2.789 local terms energy: -706.242415 where: bonds (distance) C4'-P energy: -151.488 bonds (distance) P-C4' energy: -153.636 flat angles C4'-P-C4' energy: -161.019 flat angles P-C4'-P energy: -99.529 tors. eta vs tors. theta energy: -140.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1683.793559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.793559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.793559 (E_RNA) where: Base-Base interactions energy: -1057.084 where: short stacking energy: -438.979 Base-Backbone interact. energy: -2.885 local terms energy: -623.824517 where: bonds (distance) C4'-P energy: -160.514 bonds (distance) P-C4' energy: -145.232 flat angles C4'-P-C4' energy: -149.117 flat angles P-C4'-P energy: -105.455 tors. eta vs tors. theta energy: -63.507 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: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1350.631675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.631675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.631675 (E_RNA) where: Base-Base interactions energy: -792.367 where: short stacking energy: -389.324 Base-Backbone interact. energy: -0.755 local terms energy: -557.510366 where: bonds (distance) C4'-P energy: -146.903 bonds (distance) P-C4' energy: -139.137 flat angles C4'-P-C4' energy: -150.963 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -46.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1009.874233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.874233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.874233 (E_RNA) where: Base-Base interactions energy: -473.194 where: short stacking energy: -274.333 Base-Backbone interact. energy: -0.848 local terms energy: -535.832547 where: bonds (distance) C4'-P energy: -143.556 bonds (distance) P-C4' energy: -170.517 flat angles C4'-P-C4' energy: -147.280 flat angles P-C4'-P energy: -66.742 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -653.891777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.891777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.891777 (E_RNA) where: Base-Base interactions energy: -235.131 where: short stacking energy: -204.226 Base-Backbone interact. energy: -1.129 local terms energy: -417.631771 where: bonds (distance) C4'-P energy: -138.740 bonds (distance) P-C4' energy: -133.367 flat angles C4'-P-C4' energy: -125.746 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: 39.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3104.709760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.709760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.709760 (E_RNA) where: Base-Base interactions energy: -2137.704 where: short stacking energy: -911.131 Base-Backbone interact. energy: -4.275 local terms energy: -962.730457 where: bonds (distance) C4'-P energy: -173.006 bonds (distance) P-C4' energy: -181.729 flat angles C4'-P-C4' energy: -218.028 flat angles P-C4'-P energy: -142.632 tors. eta vs tors. theta energy: -247.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2932.211406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.211406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.211406 (E_RNA) where: Base-Base interactions energy: -1995.902 where: short stacking energy: -886.116 Base-Backbone interact. energy: -4.118 local terms energy: -932.191823 where: bonds (distance) C4'-P energy: -147.043 bonds (distance) P-C4' energy: -184.269 flat angles C4'-P-C4' energy: -211.788 flat angles P-C4'-P energy: -136.158 tors. eta vs tors. theta energy: -252.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2748.387475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.387475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.387475 (E_RNA) where: Base-Base interactions energy: -1842.480 where: short stacking energy: -778.990 Base-Backbone interact. energy: -2.439 local terms energy: -903.468598 where: bonds (distance) C4'-P energy: -180.723 bonds (distance) P-C4' energy: -176.859 flat angles C4'-P-C4' energy: -193.290 flat angles P-C4'-P energy: -121.963 tors. eta vs tors. theta energy: -230.633 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: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2526.784683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.784683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.784683 (E_RNA) where: Base-Base interactions energy: -1673.201 where: short stacking energy: -761.866 Base-Backbone interact. energy: 0.600 local terms energy: -854.183787 where: bonds (distance) C4'-P energy: -146.275 bonds (distance) P-C4' energy: -176.095 flat angles C4'-P-C4' energy: -188.117 flat angles P-C4'-P energy: -132.481 tors. eta vs tors. theta energy: -211.215 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: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2158.299936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.299936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.299936 (E_RNA) where: Base-Base interactions energy: -1375.537 where: short stacking energy: -643.200 Base-Backbone interact. energy: 3.339 local terms energy: -786.101643 where: bonds (distance) C4'-P energy: -173.032 bonds (distance) P-C4' energy: -155.709 flat angles C4'-P-C4' energy: -176.297 flat angles P-C4'-P energy: -104.944 tors. eta vs tors. theta energy: -176.120 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: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2006.466281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.466281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.466281 (E_RNA) where: Base-Base interactions energy: -1248.706 where: short stacking energy: -575.912 Base-Backbone interact. energy: -3.783 local terms energy: -753.977485 where: bonds (distance) C4'-P energy: -167.341 bonds (distance) P-C4' energy: -180.765 flat angles C4'-P-C4' energy: -150.432 flat angles P-C4'-P energy: -118.683 tors. eta vs tors. theta energy: -136.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1805.959743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.959743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.959743 (E_RNA) where: Base-Base interactions energy: -1123.289 where: short stacking energy: -522.915 Base-Backbone interact. energy: -1.397 local terms energy: -681.274407 where: bonds (distance) C4'-P energy: -159.717 bonds (distance) P-C4' energy: -160.649 flat angles C4'-P-C4' energy: -144.461 flat angles P-C4'-P energy: -91.191 tors. eta vs tors. theta energy: -125.255 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: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1418.028542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.028542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.028542 (E_RNA) where: Base-Base interactions energy: -840.173 where: short stacking energy: -414.296 Base-Backbone interact. energy: 4.996 local terms energy: -582.851165 where: bonds (distance) C4'-P energy: -143.016 bonds (distance) P-C4' energy: -150.353 flat angles C4'-P-C4' energy: -129.640 flat angles P-C4'-P energy: -91.316 tors. eta vs tors. theta energy: -68.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -995.066843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.066843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.066843 (E_RNA) where: Base-Base interactions energy: -510.529 where: short stacking energy: -313.067 Base-Backbone interact. energy: 5.782 local terms energy: -490.320403 where: bonds (distance) C4'-P energy: -145.842 bonds (distance) P-C4' energy: -144.760 flat angles C4'-P-C4' energy: -127.251 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: 1.339 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: 230 Temperature: 1.350000 Total energy: -654.544876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.544876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.544876 (E_RNA) where: Base-Base interactions energy: -225.604 where: short stacking energy: -190.358 Base-Backbone interact. energy: 1.810 local terms energy: -430.751296 where: bonds (distance) C4'-P energy: -134.165 bonds (distance) P-C4' energy: -135.095 flat angles C4'-P-C4' energy: -113.489 flat angles P-C4'-P energy: -71.197 tors. eta vs tors. theta energy: 23.195 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: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3064.228752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.228752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.228752 (E_RNA) where: Base-Base interactions energy: -2133.880 where: short stacking energy: -850.249 Base-Backbone interact. energy: -5.519 local terms energy: -924.830334 where: bonds (distance) C4'-P energy: -174.422 bonds (distance) P-C4' energy: -184.007 flat angles C4'-P-C4' energy: -194.152 flat angles P-C4'-P energy: -137.033 tors. eta vs tors. theta energy: -235.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2944.353288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.353288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.353288 (E_RNA) where: Base-Base interactions energy: -2014.066 where: short stacking energy: -864.921 Base-Backbone interact. energy: -0.826 local terms energy: -929.461400 where: bonds (distance) C4'-P energy: -170.998 bonds (distance) P-C4' energy: -160.724 flat angles C4'-P-C4' energy: -207.096 flat angles P-C4'-P energy: -134.532 tors. eta vs tors. theta energy: -256.112 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: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2739.099694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.099694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.099694 (E_RNA) where: Base-Base interactions energy: -1859.200 where: short stacking energy: -808.662 Base-Backbone interact. energy: 4.192 local terms energy: -884.091695 where: bonds (distance) C4'-P energy: -155.269 bonds (distance) P-C4' energy: -176.136 flat angles C4'-P-C4' energy: -199.828 flat angles P-C4'-P energy: -129.660 tors. eta vs tors. theta energy: -223.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2531.906601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.906601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.906601 (E_RNA) where: Base-Base interactions energy: -1674.733 where: short stacking energy: -753.627 Base-Backbone interact. energy: -3.513 local terms energy: -853.661002 where: bonds (distance) C4'-P energy: -171.334 bonds (distance) P-C4' energy: -164.102 flat angles C4'-P-C4' energy: -175.081 flat angles P-C4'-P energy: -135.667 tors. eta vs tors. theta energy: -207.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2208.472299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.472299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.472299 (E_RNA) where: Base-Base interactions energy: -1436.892 where: short stacking energy: -678.426 Base-Backbone interact. energy: -1.286 local terms energy: -770.294255 where: bonds (distance) C4'-P energy: -141.855 bonds (distance) P-C4' energy: -171.465 flat angles C4'-P-C4' energy: -180.850 flat angles P-C4'-P energy: -102.336 tors. eta vs tors. theta energy: -173.789 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: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2063.368620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.368620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.368620 (E_RNA) where: Base-Base interactions energy: -1288.856 where: short stacking energy: -588.943 Base-Backbone interact. energy: 1.678 local terms energy: -776.191121 where: bonds (distance) C4'-P energy: -134.529 bonds (distance) P-C4' energy: -170.897 flat angles C4'-P-C4' energy: -179.447 flat angles P-C4'-P energy: -125.857 tors. eta vs tors. theta energy: -165.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1823.701430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.701430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.701430 (E_RNA) where: Base-Base interactions energy: -1147.190 where: short stacking energy: -527.450 Base-Backbone interact. energy: 10.991 local terms energy: -687.503014 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -163.427 flat angles C4'-P-C4' energy: -165.474 flat angles P-C4'-P energy: -98.953 tors. eta vs tors. theta energy: -113.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1507.075467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.075467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.075467 (E_RNA) where: Base-Base interactions energy: -947.249 where: short stacking energy: -421.954 Base-Backbone interact. energy: 2.926 local terms energy: -562.752967 where: bonds (distance) C4'-P energy: -130.924 bonds (distance) P-C4' energy: -162.506 flat angles C4'-P-C4' energy: -162.202 flat angles P-C4'-P energy: -56.410 tors. eta vs tors. theta energy: -50.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1020.569959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.569959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.569959 (E_RNA) where: Base-Base interactions energy: -540.694 where: short stacking energy: -300.434 Base-Backbone interact. energy: 9.306 local terms energy: -489.181758 where: bonds (distance) C4'-P energy: -129.966 bonds (distance) P-C4' energy: -146.738 flat angles C4'-P-C4' energy: -124.567 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -17.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -693.323184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.323184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.323184 (E_RNA) where: Base-Base interactions energy: -245.440 where: short stacking energy: -178.129 Base-Backbone interact. energy: -0.414 local terms energy: -447.468574 where: bonds (distance) C4'-P energy: -113.226 bonds (distance) P-C4' energy: -166.738 flat angles C4'-P-C4' energy: -144.970 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: 43.761 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: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3062.115431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.115431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.115431 (E_RNA) where: Base-Base interactions energy: -2109.811 where: short stacking energy: -862.658 Base-Backbone interact. energy: -0.861 local terms energy: -951.443481 where: bonds (distance) C4'-P energy: -177.542 bonds (distance) P-C4' energy: -192.671 flat angles C4'-P-C4' energy: -204.516 flat angles P-C4'-P energy: -124.504 tors. eta vs tors. theta energy: -252.211 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: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2984.354306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.354306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.354306 (E_RNA) where: Base-Base interactions energy: -2045.868 where: short stacking energy: -914.119 Base-Backbone interact. energy: -3.169 local terms energy: -935.317691 where: bonds (distance) C4'-P energy: -162.070 bonds (distance) P-C4' energy: -185.347 flat angles C4'-P-C4' energy: -199.321 flat angles P-C4'-P energy: -127.411 tors. eta vs tors. theta energy: -261.168 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: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2756.731052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.731052 (E_RNA) where: Base-Base interactions energy: -1868.311 where: short stacking energy: -813.541 Base-Backbone interact. energy: -5.134 local terms energy: -883.285945 where: bonds (distance) C4'-P energy: -179.628 bonds (distance) P-C4' energy: -163.849 flat angles C4'-P-C4' energy: -196.338 flat angles P-C4'-P energy: -115.906 tors. eta vs tors. theta energy: -227.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2501.636685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.636685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.636685 (E_RNA) where: Base-Base interactions energy: -1647.388 where: short stacking energy: -738.985 Base-Backbone interact. energy: -3.389 local terms energy: -850.859922 where: bonds (distance) C4'-P energy: -140.158 bonds (distance) P-C4' energy: -177.010 flat angles C4'-P-C4' energy: -185.791 flat angles P-C4'-P energy: -129.158 tors. eta vs tors. theta energy: -218.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2273.120995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.120995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.120995 (E_RNA) where: Base-Base interactions energy: -1483.618 where: short stacking energy: -695.510 Base-Backbone interact. energy: -2.441 local terms energy: -787.061241 where: bonds (distance) C4'-P energy: -166.226 bonds (distance) P-C4' energy: -155.041 flat angles C4'-P-C4' energy: -176.002 flat angles P-C4'-P energy: -94.071 tors. eta vs tors. theta energy: -195.720 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: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2096.943032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.943032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.943032 (E_RNA) where: Base-Base interactions energy: -1344.693 where: short stacking energy: -587.695 Base-Backbone interact. energy: 1.905 local terms energy: -754.155645 where: bonds (distance) C4'-P energy: -156.612 bonds (distance) P-C4' energy: -166.710 flat angles C4'-P-C4' energy: -147.876 flat angles P-C4'-P energy: -116.150 tors. eta vs tors. theta energy: -166.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1847.133517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.133517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.133517 (E_RNA) where: Base-Base interactions energy: -1171.144 where: short stacking energy: -521.849 Base-Backbone interact. energy: -2.053 local terms energy: -673.936499 where: bonds (distance) C4'-P energy: -138.598 bonds (distance) P-C4' energy: -152.822 flat angles C4'-P-C4' energy: -182.247 flat angles P-C4'-P energy: -100.100 tors. eta vs tors. theta energy: -100.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1306.866354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.866354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.866354 (E_RNA) where: Base-Base interactions energy: -740.017 where: short stacking energy: -366.985 Base-Backbone interact. energy: -1.601 local terms energy: -565.248069 where: bonds (distance) C4'-P energy: -131.068 bonds (distance) P-C4' energy: -162.346 flat angles C4'-P-C4' energy: -128.430 flat angles P-C4'-P energy: -92.017 tors. eta vs tors. theta energy: -51.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1007.370003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.370003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.370003 (E_RNA) where: Base-Base interactions energy: -510.137 where: short stacking energy: -256.713 Base-Backbone interact. energy: -0.362 local terms energy: -496.870632 where: bonds (distance) C4'-P energy: -125.832 bonds (distance) P-C4' energy: -141.925 flat angles C4'-P-C4' energy: -132.977 flat angles P-C4'-P energy: -82.418 tors. eta vs tors. theta energy: -13.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -710.683923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.683923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.683923 (E_RNA) where: Base-Base interactions energy: -254.939 where: short stacking energy: -185.923 Base-Backbone interact. energy: -3.290 local terms energy: -452.454818 where: bonds (distance) C4'-P energy: -155.889 bonds (distance) P-C4' energy: -161.729 flat angles C4'-P-C4' energy: -124.692 flat angles P-C4'-P energy: -64.569 tors. eta vs tors. theta energy: 54.424 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: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3054.151559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.151559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.151559 (E_RNA) where: Base-Base interactions energy: -2084.680 where: short stacking energy: -884.640 Base-Backbone interact. energy: -3.300 local terms energy: -966.170817 where: bonds (distance) C4'-P energy: -186.554 bonds (distance) P-C4' energy: -194.544 flat angles C4'-P-C4' energy: -198.821 flat angles P-C4'-P energy: -139.012 tors. eta vs tors. theta energy: -247.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2960.262767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.262767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.262767 (E_RNA) where: Base-Base interactions energy: -2011.430 where: short stacking energy: -856.034 Base-Backbone interact. energy: 1.789 local terms energy: -950.622022 where: bonds (distance) C4'-P energy: -187.813 bonds (distance) P-C4' energy: -173.214 flat angles C4'-P-C4' energy: -201.297 flat angles P-C4'-P energy: -143.481 tors. eta vs tors. theta energy: -244.816 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: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2769.574160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.574160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.574160 (E_RNA) where: Base-Base interactions energy: -1859.968 where: short stacking energy: -830.670 Base-Backbone interact. energy: -3.132 local terms energy: -906.474063 where: bonds (distance) C4'-P energy: -178.116 bonds (distance) P-C4' energy: -167.735 flat angles C4'-P-C4' energy: -203.481 flat angles P-C4'-P energy: -120.932 tors. eta vs tors. theta energy: -236.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2518.434538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.434538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.434538 (E_RNA) where: Base-Base interactions energy: -1677.782 where: short stacking energy: -743.067 Base-Backbone interact. energy: 0.757 local terms energy: -841.409427 where: bonds (distance) C4'-P energy: -171.871 bonds (distance) P-C4' energy: -168.071 flat angles C4'-P-C4' energy: -178.474 flat angles P-C4'-P energy: -108.317 tors. eta vs tors. theta energy: -214.676 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: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2249.135114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.135114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.135114 (E_RNA) where: Base-Base interactions energy: -1501.490 where: short stacking energy: -675.766 Base-Backbone interact. energy: -3.509 local terms energy: -744.135376 where: bonds (distance) C4'-P energy: -148.758 bonds (distance) P-C4' energy: -161.683 flat angles C4'-P-C4' energy: -181.667 flat angles P-C4'-P energy: -79.236 tors. eta vs tors. theta energy: -172.791 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: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2111.075816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.075816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.075816 (E_RNA) where: Base-Base interactions energy: -1385.662 where: short stacking energy: -636.356 Base-Backbone interact. energy: -1.497 local terms energy: -723.916313 where: bonds (distance) C4'-P energy: -126.556 bonds (distance) P-C4' energy: -167.405 flat angles C4'-P-C4' energy: -172.298 flat angles P-C4'-P energy: -104.686 tors. eta vs tors. theta energy: -152.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1946.388246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.388246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.388246 (E_RNA) where: Base-Base interactions energy: -1239.562 where: short stacking energy: -577.092 Base-Backbone interact. energy: 2.488 local terms energy: -709.313591 where: bonds (distance) C4'-P energy: -176.268 bonds (distance) P-C4' energy: -134.087 flat angles C4'-P-C4' energy: -172.576 flat angles P-C4'-P energy: -96.530 tors. eta vs tors. theta energy: -129.852 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: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1444.268437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.268437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.268437 (E_RNA) where: Base-Base interactions energy: -864.433 where: short stacking energy: -417.567 Base-Backbone interact. energy: 1.375 local terms energy: -581.211144 where: bonds (distance) C4'-P energy: -144.247 bonds (distance) P-C4' energy: -146.656 flat angles C4'-P-C4' energy: -148.794 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -66.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1079.755959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.755959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.755959 (E_RNA) where: Base-Base interactions energy: -535.293 where: short stacking energy: -285.777 Base-Backbone interact. energy: -2.698 local terms energy: -541.765475 where: bonds (distance) C4'-P energy: -154.442 bonds (distance) P-C4' energy: -174.403 flat angles C4'-P-C4' energy: -133.344 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -670.186015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.186015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.186015 (E_RNA) where: Base-Base interactions energy: -241.344 where: short stacking energy: -200.465 Base-Backbone interact. energy: 3.315 local terms energy: -432.156455 where: bonds (distance) C4'-P energy: -142.385 bonds (distance) P-C4' energy: -155.193 flat angles C4'-P-C4' energy: -120.488 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: 41.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3078.412747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.412747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.412747 (E_RNA) where: Base-Base interactions energy: -2137.903 where: short stacking energy: -878.840 Base-Backbone interact. energy: -4.033 local terms energy: -936.476425 where: bonds (distance) C4'-P energy: -167.401 bonds (distance) P-C4' energy: -181.616 flat angles C4'-P-C4' energy: -205.200 flat angles P-C4'-P energy: -131.324 tors. eta vs tors. theta energy: -250.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2921.200876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.200876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.200876 (E_RNA) where: Base-Base interactions energy: -1996.901 where: short stacking energy: -878.940 Base-Backbone interact. energy: -2.125 local terms energy: -922.174287 where: bonds (distance) C4'-P energy: -167.865 bonds (distance) P-C4' energy: -182.295 flat angles C4'-P-C4' energy: -215.995 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -250.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2756.513316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.513316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.513316 (E_RNA) where: Base-Base interactions energy: -1851.302 where: short stacking energy: -815.840 Base-Backbone interact. energy: -0.864 local terms energy: -904.346558 where: bonds (distance) C4'-P energy: -167.841 bonds (distance) P-C4' energy: -178.730 flat angles C4'-P-C4' energy: -197.003 flat angles P-C4'-P energy: -124.483 tors. eta vs tors. theta energy: -236.291 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: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2482.226856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.226856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.226856 (E_RNA) where: Base-Base interactions energy: -1630.346 where: short stacking energy: -719.609 Base-Backbone interact. energy: -4.317 local terms energy: -847.563263 where: bonds (distance) C4'-P energy: -157.913 bonds (distance) P-C4' energy: -184.461 flat angles C4'-P-C4' energy: -188.749 flat angles P-C4'-P energy: -117.573 tors. eta vs tors. theta energy: -198.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2220.156433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.156433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.156433 (E_RNA) where: Base-Base interactions energy: -1415.350 where: short stacking energy: -645.405 Base-Backbone interact. energy: 1.257 local terms energy: -806.063809 where: bonds (distance) C4'-P energy: -150.752 bonds (distance) P-C4' energy: -168.353 flat angles C4'-P-C4' energy: -188.570 flat angles P-C4'-P energy: -118.115 tors. eta vs tors. theta energy: -180.275 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: 234 Temperature: 1.150000 Total energy: -2108.821266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.821266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.821266 (E_RNA) where: Base-Base interactions energy: -1384.728 where: short stacking energy: -611.268 Base-Backbone interact. energy: 0.633 local terms energy: -724.726192 where: bonds (distance) C4'-P energy: -134.498 bonds (distance) P-C4' energy: -159.989 flat angles C4'-P-C4' energy: -170.558 flat angles P-C4'-P energy: -95.619 tors. eta vs tors. theta energy: -164.062 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: 234 Temperature: 1.200000 Total energy: -1821.522441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.522441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.522441 (E_RNA) where: Base-Base interactions energy: -1179.108 where: short stacking energy: -508.735 Base-Backbone interact. energy: -3.986 local terms energy: -638.428292 where: bonds (distance) C4'-P energy: -141.950 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -154.134 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -99.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1495.438765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.438765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.438765 (E_RNA) where: Base-Base interactions energy: -897.274 where: short stacking energy: -408.075 Base-Backbone interact. energy: 5.286 local terms energy: -603.450717 where: bonds (distance) C4'-P energy: -145.840 bonds (distance) P-C4' energy: -166.752 flat angles C4'-P-C4' energy: -149.758 flat angles P-C4'-P energy: -94.732 tors. eta vs tors. theta energy: -46.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1009.260422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.260422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.260422 (E_RNA) where: Base-Base interactions energy: -500.777 where: short stacking energy: -289.563 Base-Backbone interact. energy: -1.137 local terms energy: -507.345854 where: bonds (distance) C4'-P energy: -147.292 bonds (distance) P-C4' energy: -141.130 flat angles C4'-P-C4' energy: -150.335 flat angles P-C4'-P energy: -72.750 tors. eta vs tors. theta energy: 4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -680.997306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.997306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.997306 (E_RNA) where: Base-Base interactions energy: -264.607 where: short stacking energy: -173.821 Base-Backbone interact. energy: 4.043 local terms energy: -420.433465 where: bonds (distance) C4'-P energy: -129.461 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -110.915 flat angles P-C4'-P energy: -78.813 tors. eta vs tors. theta energy: 35.690 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: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3060.077401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.077401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.077401 (E_RNA) where: Base-Base interactions energy: -2119.129 where: short stacking energy: -867.232 Base-Backbone interact. energy: -1.278 local terms energy: -939.670288 where: bonds (distance) C4'-P energy: -178.220 bonds (distance) P-C4' energy: -178.742 flat angles C4'-P-C4' energy: -192.527 flat angles P-C4'-P energy: -138.505 tors. eta vs tors. theta energy: -251.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2966.791476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.791476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.791476 (E_RNA) where: Base-Base interactions energy: -2043.458 where: short stacking energy: -872.027 Base-Backbone interact. energy: -2.291 local terms energy: -921.042423 where: bonds (distance) C4'-P energy: -167.672 bonds (distance) P-C4' energy: -169.933 flat angles C4'-P-C4' energy: -205.898 flat angles P-C4'-P energy: -125.036 tors. eta vs tors. theta energy: -252.503 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: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2798.705991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.705991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.705991 (E_RNA) where: Base-Base interactions energy: -1913.111 where: short stacking energy: -803.609 Base-Backbone interact. energy: -4.982 local terms energy: -880.612579 where: bonds (distance) C4'-P energy: -178.127 bonds (distance) P-C4' energy: -152.491 flat angles C4'-P-C4' energy: -193.614 flat angles P-C4'-P energy: -123.499 tors. eta vs tors. theta energy: -232.881 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: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2456.735903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.735903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.735903 (E_RNA) where: Base-Base interactions energy: -1625.641 where: short stacking energy: -725.961 Base-Backbone interact. energy: 1.533 local terms energy: -832.627771 where: bonds (distance) C4'-P energy: -169.247 bonds (distance) P-C4' energy: -171.067 flat angles C4'-P-C4' energy: -189.244 flat angles P-C4'-P energy: -113.569 tors. eta vs tors. theta energy: -189.500 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: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2206.302707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.302707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.302707 (E_RNA) where: Base-Base interactions energy: -1410.130 where: short stacking energy: -629.607 Base-Backbone interact. energy: 5.316 local terms energy: -801.488550 where: bonds (distance) C4'-P energy: -164.565 bonds (distance) P-C4' energy: -172.941 flat angles C4'-P-C4' energy: -184.093 flat angles P-C4'-P energy: -111.535 tors. eta vs tors. theta energy: -168.354 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: 235 Temperature: 1.150000 Total energy: -2142.283223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.283223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.283223 (E_RNA) where: Base-Base interactions energy: -1377.524 where: short stacking energy: -621.368 Base-Backbone interact. energy: -5.616 local terms energy: -759.142808 where: bonds (distance) C4'-P energy: -160.831 bonds (distance) P-C4' energy: -157.846 flat angles C4'-P-C4' energy: -160.564 flat angles P-C4'-P energy: -104.379 tors. eta vs tors. theta energy: -175.522 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: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1649.139038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.139038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.139038 (E_RNA) where: Base-Base interactions energy: -1015.907 where: short stacking energy: -462.287 Base-Backbone interact. energy: -1.849 local terms energy: -631.383336 where: bonds (distance) C4'-P energy: -143.653 bonds (distance) P-C4' energy: -147.151 flat angles C4'-P-C4' energy: -160.504 flat angles P-C4'-P energy: -99.403 tors. eta vs tors. theta energy: -80.672 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: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1380.441128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.441128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.441128 (E_RNA) where: Base-Base interactions energy: -816.889 where: short stacking energy: -382.893 Base-Backbone interact. energy: 0.215 local terms energy: -563.766930 where: bonds (distance) C4'-P energy: -146.031 bonds (distance) P-C4' energy: -145.912 flat angles C4'-P-C4' energy: -141.097 flat angles P-C4'-P energy: -85.076 tors. eta vs tors. theta energy: -45.651 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1079.589703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.589703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.589703 (E_RNA) where: Base-Base interactions energy: -535.009 where: short stacking energy: -304.952 Base-Backbone interact. energy: 5.832 local terms energy: -550.411868 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -150.974 flat angles C4'-P-C4' energy: -157.183 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -23.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -711.816226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.816226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.816226 (E_RNA) where: Base-Base interactions energy: -287.226 where: short stacking energy: -198.381 Base-Backbone interact. energy: 1.824 local terms energy: -426.413430 where: bonds (distance) C4'-P energy: -158.609 bonds (distance) P-C4' energy: -145.936 flat angles C4'-P-C4' energy: -89.525 flat angles P-C4'-P energy: -82.529 tors. eta vs tors. theta energy: 50.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3097.830318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.830318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.830318 (E_RNA) where: Base-Base interactions energy: -2120.371 where: short stacking energy: -878.731 Base-Backbone interact. energy: -5.347 local terms energy: -972.112568 where: bonds (distance) C4'-P energy: -187.692 bonds (distance) P-C4' energy: -181.096 flat angles C4'-P-C4' energy: -202.781 flat angles P-C4'-P energy: -139.981 tors. eta vs tors. theta energy: -260.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2945.543578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.543578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.543578 (E_RNA) where: Base-Base interactions energy: -2003.095 where: short stacking energy: -867.763 Base-Backbone interact. energy: -0.290 local terms energy: -942.159003 where: bonds (distance) C4'-P energy: -166.780 bonds (distance) P-C4' energy: -170.395 flat angles C4'-P-C4' energy: -206.747 flat angles P-C4'-P energy: -149.659 tors. eta vs tors. theta energy: -248.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2751.194309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.194309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.194309 (E_RNA) where: Base-Base interactions energy: -1861.294 where: short stacking energy: -808.158 Base-Backbone interact. energy: -1.352 local terms energy: -888.547554 where: bonds (distance) C4'-P energy: -163.170 bonds (distance) P-C4' energy: -174.017 flat angles C4'-P-C4' energy: -196.182 flat angles P-C4'-P energy: -122.549 tors. eta vs tors. theta energy: -232.630 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: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2460.835186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.835186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.835186 (E_RNA) where: Base-Base interactions energy: -1612.564 where: short stacking energy: -726.871 Base-Backbone interact. energy: 1.996 local terms energy: -850.268039 where: bonds (distance) C4'-P energy: -171.777 bonds (distance) P-C4' energy: -182.863 flat angles C4'-P-C4' energy: -178.136 flat angles P-C4'-P energy: -110.639 tors. eta vs tors. theta energy: -206.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2257.925580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.925580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.925580 (E_RNA) where: Base-Base interactions energy: -1429.118 where: short stacking energy: -663.767 Base-Backbone interact. energy: -2.204 local terms energy: -826.603875 where: bonds (distance) C4'-P energy: -163.966 bonds (distance) P-C4' energy: -169.152 flat angles C4'-P-C4' energy: -182.052 flat angles P-C4'-P energy: -123.871 tors. eta vs tors. theta energy: -187.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2125.888503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.888503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.888503 (E_RNA) where: Base-Base interactions energy: -1353.461 where: short stacking energy: -596.437 Base-Backbone interact. energy: 2.232 local terms energy: -774.659033 where: bonds (distance) C4'-P energy: -156.591 bonds (distance) P-C4' energy: -172.889 flat angles C4'-P-C4' energy: -193.800 flat angles P-C4'-P energy: -93.409 tors. eta vs tors. theta energy: -157.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1695.820082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.820082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.820082 (E_RNA) where: Base-Base interactions energy: -1061.690 where: short stacking energy: -495.786 Base-Backbone interact. energy: 2.734 local terms energy: -636.864767 where: bonds (distance) C4'-P energy: -143.873 bonds (distance) P-C4' energy: -143.498 flat angles C4'-P-C4' energy: -155.686 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -87.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1368.091511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.091511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.091511 (E_RNA) where: Base-Base interactions energy: -838.986 where: short stacking energy: -376.792 Base-Backbone interact. energy: -2.056 local terms energy: -527.049303 where: bonds (distance) C4'-P energy: -148.777 bonds (distance) P-C4' energy: -149.513 flat angles C4'-P-C4' energy: -106.455 flat angles P-C4'-P energy: -91.350 tors. eta vs tors. theta energy: -30.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -982.688855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.688855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.688855 (E_RNA) where: Base-Base interactions energy: -470.802 where: short stacking energy: -266.943 Base-Backbone interact. energy: -3.891 local terms energy: -507.995949 where: bonds (distance) C4'-P energy: -149.345 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -125.714 flat angles P-C4'-P energy: -85.531 tors. eta vs tors. theta energy: 4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -717.656498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.656498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.656498 (E_RNA) where: Base-Base interactions energy: -266.508 where: short stacking energy: -196.399 Base-Backbone interact. energy: -0.549 local terms energy: -450.599207 where: bonds (distance) C4'-P energy: -155.410 bonds (distance) P-C4' energy: -133.228 flat angles C4'-P-C4' energy: -121.436 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: 28.499 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: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3068.239844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.239844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.239844 (E_RNA) where: Base-Base interactions energy: -2125.059 where: short stacking energy: -883.294 Base-Backbone interact. energy: -0.886 local terms energy: -942.295594 where: bonds (distance) C4'-P energy: -177.314 bonds (distance) P-C4' energy: -174.032 flat angles C4'-P-C4' energy: -200.580 flat angles P-C4'-P energy: -133.768 tors. eta vs tors. theta energy: -256.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2974.408265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.408265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.408265 (E_RNA) where: Base-Base interactions energy: -2023.230 where: short stacking energy: -865.818 Base-Backbone interact. energy: 4.670 local terms energy: -955.848539 where: bonds (distance) C4'-P energy: -197.878 bonds (distance) P-C4' energy: -181.379 flat angles C4'-P-C4' energy: -189.609 flat angles P-C4'-P energy: -133.911 tors. eta vs tors. theta energy: -253.072 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: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2836.536929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.536929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.536929 (E_RNA) where: Base-Base interactions energy: -1935.202 where: short stacking energy: -849.229 Base-Backbone interact. energy: -4.330 local terms energy: -897.005641 where: bonds (distance) C4'-P energy: -178.063 bonds (distance) P-C4' energy: -152.036 flat angles C4'-P-C4' energy: -206.456 flat angles P-C4'-P energy: -110.965 tors. eta vs tors. theta energy: -249.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2517.583023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.583023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.583023 (E_RNA) where: Base-Base interactions energy: -1689.990 where: short stacking energy: -760.235 Base-Backbone interact. energy: -2.068 local terms energy: -825.524282 where: bonds (distance) C4'-P energy: -166.177 bonds (distance) P-C4' energy: -159.242 flat angles C4'-P-C4' energy: -180.825 flat angles P-C4'-P energy: -124.579 tors. eta vs tors. theta energy: -194.701 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: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2280.659005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.659005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.659005 (E_RNA) where: Base-Base interactions energy: -1442.440 where: short stacking energy: -689.127 Base-Backbone interact. energy: -2.155 local terms energy: -836.064705 where: bonds (distance) C4'-P energy: -171.685 bonds (distance) P-C4' energy: -177.607 flat angles C4'-P-C4' energy: -180.313 flat angles P-C4'-P energy: -109.989 tors. eta vs tors. theta energy: -196.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2093.910244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.910244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.910244 (E_RNA) where: Base-Base interactions energy: -1351.307 where: short stacking energy: -604.956 Base-Backbone interact. energy: -0.068 local terms energy: -742.535483 where: bonds (distance) C4'-P energy: -133.486 bonds (distance) P-C4' energy: -173.654 flat angles C4'-P-C4' energy: -165.428 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -166.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1712.152297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.152297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.152297 (E_RNA) where: Base-Base interactions energy: -1012.472 where: short stacking energy: -479.997 Base-Backbone interact. energy: -3.661 local terms energy: -696.019313 where: bonds (distance) C4'-P energy: -167.869 bonds (distance) P-C4' energy: -158.712 flat angles C4'-P-C4' energy: -174.358 flat angles P-C4'-P energy: -93.561 tors. eta vs tors. theta energy: -101.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1334.083391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.083391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.083391 (E_RNA) where: Base-Base interactions energy: -767.261 where: short stacking energy: -370.463 Base-Backbone interact. energy: -1.616 local terms energy: -565.206947 where: bonds (distance) C4'-P energy: -154.143 bonds (distance) P-C4' energy: -158.180 flat angles C4'-P-C4' energy: -133.019 flat angles P-C4'-P energy: -87.853 tors. eta vs tors. theta energy: -32.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -929.971728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.971728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.971728 (E_RNA) where: Base-Base interactions energy: -452.678 where: short stacking energy: -282.431 Base-Backbone interact. energy: -0.857 local terms energy: -476.436826 where: bonds (distance) C4'-P energy: -128.852 bonds (distance) P-C4' energy: -142.837 flat angles C4'-P-C4' energy: -128.903 flat angles P-C4'-P energy: -77.369 tors. eta vs tors. theta energy: 1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -730.774645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.774645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.774645 (E_RNA) where: Base-Base interactions energy: -264.797 where: short stacking energy: -243.506 Base-Backbone interact. energy: -0.791 local terms energy: -465.186714 where: bonds (distance) C4'-P energy: -127.536 bonds (distance) P-C4' energy: -164.454 flat angles C4'-P-C4' energy: -122.220 flat angles P-C4'-P energy: -57.669 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: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3069.500783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.500783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.500783 (E_RNA) where: Base-Base interactions energy: -2078.350 where: short stacking energy: -887.406 Base-Backbone interact. energy: -1.449 local terms energy: -989.702387 where: bonds (distance) C4'-P energy: -194.175 bonds (distance) P-C4' energy: -184.253 flat angles C4'-P-C4' energy: -217.383 flat angles P-C4'-P energy: -141.223 tors. eta vs tors. theta energy: -252.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2973.864444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.864444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.864444 (E_RNA) where: Base-Base interactions energy: -2042.059 where: short stacking energy: -875.033 Base-Backbone interact. energy: -5.689 local terms energy: -926.116486 where: bonds (distance) C4'-P energy: -168.068 bonds (distance) P-C4' energy: -184.405 flat angles C4'-P-C4' energy: -204.155 flat angles P-C4'-P energy: -122.818 tors. eta vs tors. theta energy: -246.671 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: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2813.052970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.052970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.052970 (E_RNA) where: Base-Base interactions energy: -1882.698 where: short stacking energy: -833.035 Base-Backbone interact. energy: -1.722 local terms energy: -928.633247 where: bonds (distance) C4'-P energy: -171.110 bonds (distance) P-C4' energy: -177.487 flat angles C4'-P-C4' energy: -196.204 flat angles P-C4'-P energy: -132.304 tors. eta vs tors. theta energy: -251.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2495.343418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.343418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.343418 (E_RNA) where: Base-Base interactions energy: -1656.032 where: short stacking energy: -746.272 Base-Backbone interact. energy: 4.628 local terms energy: -843.939422 where: bonds (distance) C4'-P energy: -164.407 bonds (distance) P-C4' energy: -159.078 flat angles C4'-P-C4' energy: -191.129 flat angles P-C4'-P energy: -135.872 tors. eta vs tors. theta energy: -193.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2235.961164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.961164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.961164 (E_RNA) where: Base-Base interactions energy: -1455.685 where: short stacking energy: -639.556 Base-Backbone interact. energy: 1.530 local terms energy: -781.806338 where: bonds (distance) C4'-P energy: -151.501 bonds (distance) P-C4' energy: -188.255 flat angles C4'-P-C4' energy: -176.002 flat angles P-C4'-P energy: -104.147 tors. eta vs tors. theta energy: -161.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2103.994371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.994371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.994371 (E_RNA) where: Base-Base interactions energy: -1341.582 where: short stacking energy: -615.432 Base-Backbone interact. energy: -3.767 local terms energy: -758.645582 where: bonds (distance) C4'-P energy: -152.936 bonds (distance) P-C4' energy: -164.454 flat angles C4'-P-C4' energy: -182.735 flat angles P-C4'-P energy: -94.763 tors. eta vs tors. theta energy: -163.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1723.464365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.464365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.464365 (E_RNA) where: Base-Base interactions energy: -1023.295 where: short stacking energy: -495.186 Base-Backbone interact. energy: -1.700 local terms energy: -698.468785 where: bonds (distance) C4'-P energy: -168.703 bonds (distance) P-C4' energy: -166.207 flat angles C4'-P-C4' energy: -163.323 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -102.402 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: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1365.719583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.719583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.719583 (E_RNA) where: Base-Base interactions energy: -785.358 where: short stacking energy: -363.946 Base-Backbone interact. energy: -0.871 local terms energy: -579.490206 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -159.801 flat angles C4'-P-C4' energy: -147.249 flat angles P-C4'-P energy: -86.984 tors. eta vs tors. theta energy: -44.089 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: 238 Temperature: 1.300000 Total energy: -880.366639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.366639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.366639 (E_RNA) where: Base-Base interactions energy: -418.256 where: short stacking energy: -232.416 Base-Backbone interact. energy: -3.241 local terms energy: -458.868889 where: bonds (distance) C4'-P energy: -162.998 bonds (distance) P-C4' energy: -156.504 flat angles C4'-P-C4' energy: -109.746 flat angles P-C4'-P energy: -55.152 tors. eta vs tors. theta energy: 25.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -674.050849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.050849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.050849 (E_RNA) where: Base-Base interactions energy: -211.757 where: short stacking energy: -172.037 Base-Backbone interact. energy: -0.954 local terms energy: -461.339745 where: bonds (distance) C4'-P energy: -140.181 bonds (distance) P-C4' energy: -143.669 flat angles C4'-P-C4' energy: -122.721 flat angles P-C4'-P energy: -76.005 tors. eta vs tors. theta energy: 21.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3084.912586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.912586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.912586 (E_RNA) where: Base-Base interactions energy: -2116.823 where: short stacking energy: -888.635 Base-Backbone interact. energy: -0.876 local terms energy: -967.212923 where: bonds (distance) C4'-P energy: -162.248 bonds (distance) P-C4' energy: -190.580 flat angles C4'-P-C4' energy: -213.961 flat angles P-C4'-P energy: -149.678 tors. eta vs tors. theta energy: -250.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2984.956689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.956689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.956689 (E_RNA) where: Base-Base interactions energy: -2100.072 where: short stacking energy: -882.012 Base-Backbone interact. energy: -2.830 local terms energy: -882.055384 where: bonds (distance) C4'-P energy: -151.808 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -185.785 flat angles P-C4'-P energy: -121.294 tors. eta vs tors. theta energy: -254.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2800.735385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.735385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.735385 (E_RNA) where: Base-Base interactions energy: -1884.936 where: short stacking energy: -832.156 Base-Backbone interact. energy: -3.314 local terms energy: -912.485592 where: bonds (distance) C4'-P energy: -157.957 bonds (distance) P-C4' energy: -181.368 flat angles C4'-P-C4' energy: -204.651 flat angles P-C4'-P energy: -130.420 tors. eta vs tors. theta energy: -238.090 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: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2505.599751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.599751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.599751 (E_RNA) where: Base-Base interactions energy: -1662.714 where: short stacking energy: -765.524 Base-Backbone interact. energy: 0.521 local terms energy: -843.406558 where: bonds (distance) C4'-P energy: -174.649 bonds (distance) P-C4' energy: -146.811 flat angles C4'-P-C4' energy: -190.037 flat angles P-C4'-P energy: -123.092 tors. eta vs tors. theta energy: -208.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2274.810641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.810641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.810641 (E_RNA) where: Base-Base interactions energy: -1517.307 where: short stacking energy: -695.396 Base-Backbone interact. energy: 1.597 local terms energy: -759.101072 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -148.468 flat angles C4'-P-C4' energy: -179.404 flat angles P-C4'-P energy: -110.407 tors. eta vs tors. theta energy: -176.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2083.752253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.752253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.752253 (E_RNA) where: Base-Base interactions energy: -1334.020 where: short stacking energy: -561.051 Base-Backbone interact. energy: -3.213 local terms energy: -746.518838 where: bonds (distance) C4'-P energy: -160.242 bonds (distance) P-C4' energy: -160.843 flat angles C4'-P-C4' energy: -166.794 flat angles P-C4'-P energy: -110.651 tors. eta vs tors. theta energy: -147.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1715.732783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.732783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.732783 (E_RNA) where: Base-Base interactions energy: -1031.749 where: short stacking energy: -458.370 Base-Backbone interact. energy: -3.388 local terms energy: -680.595470 where: bonds (distance) C4'-P energy: -145.054 bonds (distance) P-C4' energy: -177.284 flat angles C4'-P-C4' energy: -159.812 flat angles P-C4'-P energy: -112.789 tors. eta vs tors. theta energy: -85.657 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: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1335.480086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.480086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.480086 (E_RNA) where: Base-Base interactions energy: -783.690 where: short stacking energy: -399.091 Base-Backbone interact. energy: 2.956 local terms energy: -554.746205 where: bonds (distance) C4'-P energy: -134.688 bonds (distance) P-C4' energy: -153.004 flat angles C4'-P-C4' energy: -161.065 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -26.869 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: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -850.820384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.820384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.820384 (E_RNA) where: Base-Base interactions energy: -414.010 where: short stacking energy: -282.096 Base-Backbone interact. energy: 4.107 local terms energy: -440.916526 where: bonds (distance) C4'-P energy: -141.312 bonds (distance) P-C4' energy: -135.750 flat angles C4'-P-C4' energy: -113.657 flat angles P-C4'-P energy: -58.908 tors. eta vs tors. theta energy: 8.711 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: 239 Temperature: 1.350000 Total energy: -711.167586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.167586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.167586 (E_RNA) where: Base-Base interactions energy: -248.732 where: short stacking energy: -202.313 Base-Backbone interact. energy: 2.298 local terms energy: -464.733696 where: bonds (distance) C4'-P energy: -163.775 bonds (distance) P-C4' energy: -161.867 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: 19.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3087.664320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.664320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.664320 (E_RNA) where: Base-Base interactions energy: -2118.805 where: short stacking energy: -902.816 Base-Backbone interact. energy: 3.764 local terms energy: -972.623569 where: bonds (distance) C4'-P energy: -184.993 bonds (distance) P-C4' energy: -178.274 flat angles C4'-P-C4' energy: -216.046 flat angles P-C4'-P energy: -140.986 tors. eta vs tors. theta energy: -252.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -3005.242463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.242463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.242463 (E_RNA) where: Base-Base interactions energy: -2056.993 where: short stacking energy: -874.345 Base-Backbone interact. energy: -3.348 local terms energy: -944.901690 where: bonds (distance) C4'-P energy: -179.323 bonds (distance) P-C4' energy: -178.002 flat angles C4'-P-C4' energy: -205.619 flat angles P-C4'-P energy: -138.454 tors. eta vs tors. theta energy: -243.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2780.280728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.280728 (E_RNA) where: Base-Base interactions energy: -1898.569 where: short stacking energy: -842.587 Base-Backbone interact. energy: 0.219 local terms energy: -881.930891 where: bonds (distance) C4'-P energy: -160.659 bonds (distance) P-C4' energy: -184.845 flat angles C4'-P-C4' energy: -192.326 flat angles P-C4'-P energy: -121.998 tors. eta vs tors. theta energy: -222.103 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: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2492.346576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.346576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.346576 (E_RNA) where: Base-Base interactions energy: -1662.076 where: short stacking energy: -753.799 Base-Backbone interact. energy: 0.747 local terms energy: -831.017309 where: bonds (distance) C4'-P energy: -157.914 bonds (distance) P-C4' energy: -167.952 flat angles C4'-P-C4' energy: -188.002 flat angles P-C4'-P energy: -114.528 tors. eta vs tors. theta energy: -202.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2252.138589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.138589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.138589 (E_RNA) where: Base-Base interactions energy: -1459.250 where: short stacking energy: -688.010 Base-Backbone interact. energy: -0.985 local terms energy: -791.903707 where: bonds (distance) C4'-P energy: -161.415 bonds (distance) P-C4' energy: -142.678 flat angles C4'-P-C4' energy: -186.750 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -198.617 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2037.520305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.520305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.520305 (E_RNA) where: Base-Base interactions energy: -1301.970 where: short stacking energy: -589.126 Base-Backbone interact. energy: 1.924 local terms energy: -737.474731 where: bonds (distance) C4'-P energy: -121.310 bonds (distance) P-C4' energy: -161.554 flat angles C4'-P-C4' energy: -168.961 flat angles P-C4'-P energy: -134.100 tors. eta vs tors. theta energy: -151.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1646.203436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.203436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.203436 (E_RNA) where: Base-Base interactions energy: -1012.296 where: short stacking energy: -453.016 Base-Backbone interact. energy: 0.991 local terms energy: -634.899274 where: bonds (distance) C4'-P energy: -151.723 bonds (distance) P-C4' energy: -156.849 flat angles C4'-P-C4' energy: -163.633 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -68.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1247.850769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.850769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.850769 (E_RNA) where: Base-Base interactions energy: -691.921 where: short stacking energy: -359.180 Base-Backbone interact. energy: -2.498 local terms energy: -553.432021 where: bonds (distance) C4'-P energy: -128.506 bonds (distance) P-C4' energy: -149.967 flat angles C4'-P-C4' energy: -157.899 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: -35.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -861.765027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.765027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.765027 (E_RNA) where: Base-Base interactions energy: -377.195 where: short stacking energy: -258.259 Base-Backbone interact. energy: 3.031 local terms energy: -487.601297 where: bonds (distance) C4'-P energy: -156.014 bonds (distance) P-C4' energy: -153.199 flat angles C4'-P-C4' energy: -121.271 flat angles P-C4'-P energy: -69.980 tors. eta vs tors. theta energy: 12.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -678.194358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.194358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.194358 (E_RNA) where: Base-Base interactions energy: -235.461 where: short stacking energy: -210.833 Base-Backbone interact. energy: 0.076 local terms energy: -442.808841 where: bonds (distance) C4'-P energy: -138.988 bonds (distance) P-C4' energy: -174.202 flat angles C4'-P-C4' energy: -116.841 flat angles P-C4'-P energy: -54.034 tors. eta vs tors. theta energy: 41.257 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: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3085.219713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.219713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.219713 (E_RNA) where: Base-Base interactions energy: -2116.646 where: short stacking energy: -910.937 Base-Backbone interact. energy: -4.269 local terms energy: -964.305046 where: bonds (distance) C4'-P energy: -182.969 bonds (distance) P-C4' energy: -189.586 flat angles C4'-P-C4' energy: -205.328 flat angles P-C4'-P energy: -138.133 tors. eta vs tors. theta energy: -248.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -3013.478068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.478068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.478068 (E_RNA) where: Base-Base interactions energy: -2029.934 where: short stacking energy: -876.874 Base-Backbone interact. energy: 2.567 local terms energy: -986.110805 where: bonds (distance) C4'-P energy: -186.190 bonds (distance) P-C4' energy: -189.183 flat angles C4'-P-C4' energy: -216.553 flat angles P-C4'-P energy: -147.727 tors. eta vs tors. theta energy: -246.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2743.401148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.401148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.401148 (E_RNA) where: Base-Base interactions energy: -1848.038 where: short stacking energy: -799.103 Base-Backbone interact. energy: -2.656 local terms energy: -892.707501 where: bonds (distance) C4'-P energy: -151.289 bonds (distance) P-C4' energy: -172.551 flat angles C4'-P-C4' energy: -208.515 flat angles P-C4'-P energy: -130.027 tors. eta vs tors. theta energy: -230.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2481.381957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.381957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.381957 (E_RNA) where: Base-Base interactions energy: -1670.625 where: short stacking energy: -727.280 Base-Backbone interact. energy: -3.001 local terms energy: -807.755361 where: bonds (distance) C4'-P energy: -167.359 bonds (distance) P-C4' energy: -152.396 flat angles C4'-P-C4' energy: -183.963 flat angles P-C4'-P energy: -98.695 tors. eta vs tors. theta energy: -205.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2328.012298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.012298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.012298 (E_RNA) where: Base-Base interactions energy: -1501.519 where: short stacking energy: -679.967 Base-Backbone interact. energy: -5.071 local terms energy: -821.422452 where: bonds (distance) C4'-P energy: -159.805 bonds (distance) P-C4' energy: -168.304 flat angles C4'-P-C4' energy: -194.755 flat angles P-C4'-P energy: -99.951 tors. eta vs tors. theta energy: -198.607 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: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2103.130706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.130706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.130706 (E_RNA) where: Base-Base interactions energy: -1346.737 where: short stacking energy: -616.481 Base-Backbone interact. energy: -4.689 local terms energy: -751.704198 where: bonds (distance) C4'-P energy: -146.403 bonds (distance) P-C4' energy: -170.857 flat angles C4'-P-C4' energy: -172.524 flat angles P-C4'-P energy: -110.902 tors. eta vs tors. theta energy: -151.018 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: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1654.452147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.452147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.452147 (E_RNA) where: Base-Base interactions energy: -1011.824 where: short stacking energy: -441.340 Base-Backbone interact. energy: 0.109 local terms energy: -642.737215 where: bonds (distance) C4'-P energy: -166.999 bonds (distance) P-C4' energy: -140.821 flat angles C4'-P-C4' energy: -157.317 flat angles P-C4'-P energy: -113.392 tors. eta vs tors. theta energy: -64.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1383.550371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.550371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.550371 (E_RNA) where: Base-Base interactions energy: -798.336 where: short stacking energy: -354.472 Base-Backbone interact. energy: -2.045 local terms energy: -583.169427 where: bonds (distance) C4'-P energy: -160.439 bonds (distance) P-C4' energy: -150.491 flat angles C4'-P-C4' energy: -162.329 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: -42.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -950.473618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.473618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.473618 (E_RNA) where: Base-Base interactions energy: -448.592 where: short stacking energy: -308.811 Base-Backbone interact. energy: 5.247 local terms energy: -507.129207 where: bonds (distance) C4'-P energy: -144.533 bonds (distance) P-C4' energy: -140.005 flat angles C4'-P-C4' energy: -129.345 flat angles P-C4'-P energy: -97.294 tors. eta vs tors. theta energy: 4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -687.079067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.079067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.079067 (E_RNA) where: Base-Base interactions energy: -253.631 where: short stacking energy: -217.525 Base-Backbone interact. energy: 7.397 local terms energy: -440.844716 where: bonds (distance) C4'-P energy: -156.186 bonds (distance) P-C4' energy: -167.705 flat angles C4'-P-C4' energy: -114.056 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: 46.701 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: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3056.457441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.457441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.457441 (E_RNA) where: Base-Base interactions energy: -2093.945 where: short stacking energy: -895.399 Base-Backbone interact. energy: -4.709 local terms energy: -957.804193 where: bonds (distance) C4'-P energy: -180.239 bonds (distance) P-C4' energy: -190.664 flat angles C4'-P-C4' energy: -209.771 flat angles P-C4'-P energy: -129.434 tors. eta vs tors. theta energy: -247.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -3015.571352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.571352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.571352 (E_RNA) where: Base-Base interactions energy: -2045.918 where: short stacking energy: -904.310 Base-Backbone interact. energy: -3.018 local terms energy: -966.634917 where: bonds (distance) C4'-P energy: -182.566 bonds (distance) P-C4' energy: -178.915 flat angles C4'-P-C4' energy: -201.796 flat angles P-C4'-P energy: -142.852 tors. eta vs tors. theta energy: -260.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2754.923050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.923050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.923050 (E_RNA) where: Base-Base interactions energy: -1860.422 where: short stacking energy: -816.455 Base-Backbone interact. energy: -1.993 local terms energy: -892.508322 where: bonds (distance) C4'-P energy: -170.436 bonds (distance) P-C4' energy: -183.368 flat angles C4'-P-C4' energy: -193.104 flat angles P-C4'-P energy: -121.637 tors. eta vs tors. theta energy: -223.963 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: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2559.430423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.430423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.430423 (E_RNA) where: Base-Base interactions energy: -1699.057 where: short stacking energy: -766.045 Base-Backbone interact. energy: 0.403 local terms energy: -860.777204 where: bonds (distance) C4'-P energy: -156.426 bonds (distance) P-C4' energy: -170.831 flat angles C4'-P-C4' energy: -193.224 flat angles P-C4'-P energy: -118.684 tors. eta vs tors. theta energy: -221.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2273.789281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.789281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.789281 (E_RNA) where: Base-Base interactions energy: -1485.611 where: short stacking energy: -678.027 Base-Backbone interact. energy: -2.964 local terms energy: -785.214164 where: bonds (distance) C4'-P energy: -183.392 bonds (distance) P-C4' energy: -154.402 flat angles C4'-P-C4' energy: -175.994 flat angles P-C4'-P energy: -101.735 tors. eta vs tors. theta energy: -169.692 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2133.214012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.214012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.214012 (E_RNA) where: Base-Base interactions energy: -1369.755 where: short stacking energy: -630.791 Base-Backbone interact. energy: -3.680 local terms energy: -759.779064 where: bonds (distance) C4'-P energy: -124.005 bonds (distance) P-C4' energy: -148.636 flat angles C4'-P-C4' energy: -196.119 flat angles P-C4'-P energy: -121.270 tors. eta vs tors. theta energy: -169.749 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: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1757.021330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.021330 (E_RNA) where: Base-Base interactions energy: -1112.725 where: short stacking energy: -508.217 Base-Backbone interact. energy: -1.757 local terms energy: -642.539215 where: bonds (distance) C4'-P energy: -143.462 bonds (distance) P-C4' energy: -169.054 flat angles C4'-P-C4' energy: -146.422 flat angles P-C4'-P energy: -93.616 tors. eta vs tors. theta energy: -89.986 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1460.745403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.745403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.745403 (E_RNA) where: Base-Base interactions energy: -884.254 where: short stacking energy: -422.410 Base-Backbone interact. energy: 4.204 local terms energy: -580.695883 where: bonds (distance) C4'-P energy: -146.805 bonds (distance) P-C4' energy: -146.018 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -73.942 tors. eta vs tors. theta energy: -70.704 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: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -930.501850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.501850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.501850 (E_RNA) where: Base-Base interactions energy: -437.674 where: short stacking energy: -295.197 Base-Backbone interact. energy: -3.800 local terms energy: -489.028415 where: bonds (distance) C4'-P energy: -135.041 bonds (distance) P-C4' energy: -155.206 flat angles C4'-P-C4' energy: -128.435 flat angles P-C4'-P energy: -72.440 tors. eta vs tors. theta energy: 2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -643.678453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.678453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.678453 (E_RNA) where: Base-Base interactions energy: -207.131 where: short stacking energy: -184.198 Base-Backbone interact. energy: 0.769 local terms energy: -437.316709 where: bonds (distance) C4'-P energy: -154.351 bonds (distance) P-C4' energy: -116.973 flat angles C4'-P-C4' energy: -133.818 flat angles P-C4'-P energy: -62.635 tors. eta vs tors. theta energy: 30.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3049.037470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.037470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.037470 (E_RNA) where: Base-Base interactions energy: -2101.787 where: short stacking energy: -869.173 Base-Backbone interact. energy: -2.451 local terms energy: -944.799450 where: bonds (distance) C4'-P energy: -174.217 bonds (distance) P-C4' energy: -183.366 flat angles C4'-P-C4' energy: -197.148 flat angles P-C4'-P energy: -134.988 tors. eta vs tors. theta energy: -255.080 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: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2984.008912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.008912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.008912 (E_RNA) where: Base-Base interactions energy: -2038.094 where: short stacking energy: -875.151 Base-Backbone interact. energy: 1.246 local terms energy: -947.161313 where: bonds (distance) C4'-P energy: -173.569 bonds (distance) P-C4' energy: -177.746 flat angles C4'-P-C4' energy: -212.444 flat angles P-C4'-P energy: -126.634 tors. eta vs tors. theta energy: -256.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2799.320421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.320421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.320421 (E_RNA) where: Base-Base interactions energy: -1880.441 where: short stacking energy: -844.670 Base-Backbone interact. energy: 0.705 local terms energy: -919.585050 where: bonds (distance) C4'-P energy: -161.995 bonds (distance) P-C4' energy: -172.538 flat angles C4'-P-C4' energy: -205.722 flat angles P-C4'-P energy: -131.723 tors. eta vs tors. theta energy: -247.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2530.263028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.263028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.263028 (E_RNA) where: Base-Base interactions energy: -1674.229 where: short stacking energy: -737.564 Base-Backbone interact. energy: 0.935 local terms energy: -856.969481 where: bonds (distance) C4'-P energy: -155.462 bonds (distance) P-C4' energy: -197.062 flat angles C4'-P-C4' energy: -189.281 flat angles P-C4'-P energy: -111.206 tors. eta vs tors. theta energy: -203.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2312.337053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.337053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.337053 (E_RNA) where: Base-Base interactions energy: -1507.086 where: short stacking energy: -674.274 Base-Backbone interact. energy: 1.073 local terms energy: -806.324016 where: bonds (distance) C4'-P energy: -162.561 bonds (distance) P-C4' energy: -171.227 flat angles C4'-P-C4' energy: -183.444 flat angles P-C4'-P energy: -106.446 tors. eta vs tors. theta energy: -182.647 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: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2194.674058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.674058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.674058 (E_RNA) where: Base-Base interactions energy: -1422.310 where: short stacking energy: -669.718 Base-Backbone interact. energy: 6.541 local terms energy: -778.905255 where: bonds (distance) C4'-P energy: -153.305 bonds (distance) P-C4' energy: -154.242 flat angles C4'-P-C4' energy: -172.418 flat angles P-C4'-P energy: -118.975 tors. eta vs tors. theta energy: -179.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1739.138950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.138950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.138950 (E_RNA) where: Base-Base interactions energy: -1071.479 where: short stacking energy: -489.901 Base-Backbone interact. energy: -4.755 local terms energy: -662.904283 where: bonds (distance) C4'-P energy: -174.516 bonds (distance) P-C4' energy: -152.344 flat angles C4'-P-C4' energy: -152.471 flat angles P-C4'-P energy: -104.571 tors. eta vs tors. theta energy: -79.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1452.957278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.957278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.957278 (E_RNA) where: Base-Base interactions energy: -867.854 where: short stacking energy: -424.794 Base-Backbone interact. energy: 6.816 local terms energy: -591.918823 where: bonds (distance) C4'-P energy: -151.598 bonds (distance) P-C4' energy: -159.437 flat angles C4'-P-C4' energy: -142.391 flat angles P-C4'-P energy: -80.014 tors. eta vs tors. theta energy: -58.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -865.692106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.692106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.692106 (E_RNA) where: Base-Base interactions energy: -409.201 where: short stacking energy: -236.933 Base-Backbone interact. energy: 11.647 local terms energy: -468.138706 where: bonds (distance) C4'-P energy: -155.581 bonds (distance) P-C4' energy: -150.992 flat angles C4'-P-C4' energy: -130.787 flat angles P-C4'-P energy: -73.394 tors. eta vs tors. theta energy: 42.616 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: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -661.679975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.679975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.679975 (E_RNA) where: Base-Base interactions energy: -234.110 where: short stacking energy: -205.631 Base-Backbone interact. energy: 1.072 local terms energy: -428.642206 where: bonds (distance) C4'-P energy: -128.093 bonds (distance) P-C4' energy: -145.776 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -84.808 tors. eta vs tors. theta energy: 33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3042.413733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.413733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.413733 (E_RNA) where: Base-Base interactions energy: -2088.663 where: short stacking energy: -879.215 Base-Backbone interact. energy: -3.614 local terms energy: -950.136558 where: bonds (distance) C4'-P energy: -178.557 bonds (distance) P-C4' energy: -183.826 flat angles C4'-P-C4' energy: -207.991 flat angles P-C4'-P energy: -128.435 tors. eta vs tors. theta energy: -251.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2978.571743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.571743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.571743 (E_RNA) where: Base-Base interactions energy: -2020.129 where: short stacking energy: -882.658 Base-Backbone interact. energy: -2.451 local terms energy: -955.991760 where: bonds (distance) C4'-P energy: -179.758 bonds (distance) P-C4' energy: -171.943 flat angles C4'-P-C4' energy: -214.838 flat angles P-C4'-P energy: -138.247 tors. eta vs tors. theta energy: -251.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2753.345140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.345140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.345140 (E_RNA) where: Base-Base interactions energy: -1834.857 where: short stacking energy: -773.822 Base-Backbone interact. energy: -3.647 local terms energy: -914.840819 where: bonds (distance) C4'-P energy: -168.551 bonds (distance) P-C4' energy: -183.089 flat angles C4'-P-C4' energy: -200.717 flat angles P-C4'-P energy: -128.861 tors. eta vs tors. theta energy: -233.624 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: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2551.211767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.211767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.211767 (E_RNA) where: Base-Base interactions energy: -1697.247 where: short stacking energy: -732.316 Base-Backbone interact. energy: -2.441 local terms energy: -851.523781 where: bonds (distance) C4'-P energy: -159.333 bonds (distance) P-C4' energy: -179.041 flat angles C4'-P-C4' energy: -187.754 flat angles P-C4'-P energy: -125.367 tors. eta vs tors. theta energy: -200.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2280.433493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.433493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.433493 (E_RNA) where: Base-Base interactions energy: -1501.780 where: short stacking energy: -682.982 Base-Backbone interact. energy: -1.872 local terms energy: -776.781878 where: bonds (distance) C4'-P energy: -134.502 bonds (distance) P-C4' energy: -166.584 flat angles C4'-P-C4' energy: -171.487 flat angles P-C4'-P energy: -117.375 tors. eta vs tors. theta energy: -186.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2187.053420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.053420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.053420 (E_RNA) where: Base-Base interactions energy: -1429.638 where: short stacking energy: -680.944 Base-Backbone interact. energy: 4.171 local terms energy: -761.586907 where: bonds (distance) C4'-P energy: -128.837 bonds (distance) P-C4' energy: -168.764 flat angles C4'-P-C4' energy: -185.098 flat angles P-C4'-P energy: -97.777 tors. eta vs tors. theta energy: -181.111 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: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1733.051111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.051111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.051111 (E_RNA) where: Base-Base interactions energy: -1099.011 where: short stacking energy: -474.815 Base-Backbone interact. energy: -2.808 local terms energy: -631.232537 where: bonds (distance) C4'-P energy: -145.815 bonds (distance) P-C4' energy: -159.836 flat angles C4'-P-C4' energy: -151.614 flat angles P-C4'-P energy: -84.029 tors. eta vs tors. theta energy: -89.939 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: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1419.299588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.299588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.299588 (E_RNA) where: Base-Base interactions energy: -865.057 where: short stacking energy: -406.792 Base-Backbone interact. energy: 1.143 local terms energy: -555.385593 where: bonds (distance) C4'-P energy: -142.329 bonds (distance) P-C4' energy: -152.076 flat angles C4'-P-C4' energy: -132.520 flat angles P-C4'-P energy: -66.340 tors. eta vs tors. theta energy: -62.120 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: 244 Temperature: 1.300000 Total energy: -901.294370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.294370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.294370 (E_RNA) where: Base-Base interactions energy: -437.850 where: short stacking energy: -251.077 Base-Backbone interact. energy: 8.165 local terms energy: -471.610119 where: bonds (distance) C4'-P energy: -130.317 bonds (distance) P-C4' energy: -132.991 flat angles C4'-P-C4' energy: -145.761 flat angles P-C4'-P energy: -84.085 tors. eta vs tors. theta energy: 21.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -693.416059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.416059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.416059 (E_RNA) where: Base-Base interactions energy: -275.767 where: short stacking energy: -221.730 Base-Backbone interact. energy: 2.314 local terms energy: -419.963478 where: bonds (distance) C4'-P energy: -139.301 bonds (distance) P-C4' energy: -141.602 flat angles C4'-P-C4' energy: -123.840 flat angles P-C4'-P energy: -40.156 tors. eta vs tors. theta energy: 24.936 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: 245 Temperature: 0.900000 Total energy: -3041.939378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.939378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.939378 (E_RNA) where: Base-Base interactions energy: -2098.590 where: short stacking energy: -896.466 Base-Backbone interact. energy: -3.253 local terms energy: -940.096507 where: bonds (distance) C4'-P energy: -166.429 bonds (distance) P-C4' energy: -175.979 flat angles C4'-P-C4' energy: -203.038 flat angles P-C4'-P energy: -137.325 tors. eta vs tors. theta energy: -257.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2994.585888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.585888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.585888 (E_RNA) where: Base-Base interactions energy: -2048.382 where: short stacking energy: -888.814 Base-Backbone interact. energy: -1.593 local terms energy: -944.610984 where: bonds (distance) C4'-P energy: -168.507 bonds (distance) P-C4' energy: -183.443 flat angles C4'-P-C4' energy: -217.513 flat angles P-C4'-P energy: -131.630 tors. eta vs tors. theta energy: -243.518 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: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2777.533906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.533906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.533906 (E_RNA) where: Base-Base interactions energy: -1867.671 where: short stacking energy: -817.157 Base-Backbone interact. energy: -3.531 local terms energy: -906.332383 where: bonds (distance) C4'-P energy: -152.805 bonds (distance) P-C4' energy: -188.765 flat angles C4'-P-C4' energy: -194.036 flat angles P-C4'-P energy: -136.207 tors. eta vs tors. theta energy: -234.520 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: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2566.571873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.571873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.571873 (E_RNA) where: Base-Base interactions energy: -1704.951 where: short stacking energy: -758.721 Base-Backbone interact. energy: 0.931 local terms energy: -862.552354 where: bonds (distance) C4'-P energy: -168.552 bonds (distance) P-C4' energy: -189.082 flat angles C4'-P-C4' energy: -178.805 flat angles P-C4'-P energy: -106.316 tors. eta vs tors. theta energy: -219.797 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: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2226.580430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.580430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.580430 (E_RNA) where: Base-Base interactions energy: -1436.251 where: short stacking energy: -622.014 Base-Backbone interact. energy: -3.033 local terms energy: -787.296561 where: bonds (distance) C4'-P energy: -161.418 bonds (distance) P-C4' energy: -180.158 flat angles C4'-P-C4' energy: -172.698 flat angles P-C4'-P energy: -111.539 tors. eta vs tors. theta energy: -161.482 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: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2217.586576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.586576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.586576 (E_RNA) where: Base-Base interactions energy: -1471.608 where: short stacking energy: -709.575 Base-Backbone interact. energy: 5.482 local terms energy: -751.460285 where: bonds (distance) C4'-P energy: -126.846 bonds (distance) P-C4' energy: -159.126 flat angles C4'-P-C4' energy: -171.057 flat angles P-C4'-P energy: -108.060 tors. eta vs tors. theta energy: -186.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1690.212950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.212950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.212950 (E_RNA) where: Base-Base interactions energy: -1070.501 where: short stacking energy: -459.857 Base-Backbone interact. energy: 4.614 local terms energy: -624.326056 where: bonds (distance) C4'-P energy: -161.456 bonds (distance) P-C4' energy: -153.791 flat angles C4'-P-C4' energy: -145.338 flat angles P-C4'-P energy: -86.094 tors. eta vs tors. theta energy: -77.647 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: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1445.746950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.746950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.746950 (E_RNA) where: Base-Base interactions energy: -827.995 where: short stacking energy: -421.950 Base-Backbone interact. energy: 7.091 local terms energy: -624.842875 where: bonds (distance) C4'-P energy: -166.036 bonds (distance) P-C4' energy: -167.290 flat angles C4'-P-C4' energy: -123.551 flat angles P-C4'-P energy: -87.304 tors. eta vs tors. theta energy: -80.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -980.603898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.603898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.603898 (E_RNA) where: Base-Base interactions energy: -456.621 where: short stacking energy: -285.583 Base-Backbone interact. energy: 3.995 local terms energy: -527.977636 where: bonds (distance) C4'-P energy: -145.992 bonds (distance) P-C4' energy: -151.892 flat angles C4'-P-C4' energy: -143.022 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -683.670312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.670312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.670312 (E_RNA) where: Base-Base interactions energy: -241.539 where: short stacking energy: -191.194 Base-Backbone interact. energy: 1.559 local terms energy: -443.690470 where: bonds (distance) C4'-P energy: -136.772 bonds (distance) P-C4' energy: -151.981 flat angles C4'-P-C4' energy: -111.622 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: 23.253 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: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3025.859555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.859555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.859555 (E_RNA) where: Base-Base interactions energy: -2097.993 where: short stacking energy: -876.897 Base-Backbone interact. energy: -4.535 local terms energy: -923.331892 where: bonds (distance) C4'-P energy: -164.512 bonds (distance) P-C4' energy: -174.391 flat angles C4'-P-C4' energy: -204.235 flat angles P-C4'-P energy: -137.644 tors. eta vs tors. theta energy: -242.550 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: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2953.463202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.463202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.463202 (E_RNA) where: Base-Base interactions energy: -2004.383 where: short stacking energy: -864.368 Base-Backbone interact. energy: -5.440 local terms energy: -943.639512 where: bonds (distance) C4'-P energy: -189.374 bonds (distance) P-C4' energy: -176.626 flat angles C4'-P-C4' energy: -202.256 flat angles P-C4'-P energy: -129.690 tors. eta vs tors. theta energy: -245.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2797.258044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.258044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.258044 (E_RNA) where: Base-Base interactions energy: -1921.618 where: short stacking energy: -818.992 Base-Backbone interact. energy: 0.658 local terms energy: -876.298108 where: bonds (distance) C4'-P energy: -152.264 bonds (distance) P-C4' energy: -174.999 flat angles C4'-P-C4' energy: -206.829 flat angles P-C4'-P energy: -112.488 tors. eta vs tors. theta energy: -229.719 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: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2507.738286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.738286 (E_RNA) where: Base-Base interactions energy: -1677.887 where: short stacking energy: -739.076 Base-Backbone interact. energy: -5.275 local terms energy: -824.576005 where: bonds (distance) C4'-P energy: -149.081 bonds (distance) P-C4' energy: -183.804 flat angles C4'-P-C4' energy: -184.063 flat angles P-C4'-P energy: -119.083 tors. eta vs tors. theta energy: -188.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2316.136772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.136772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.136772 (E_RNA) where: Base-Base interactions energy: -1530.643 where: short stacking energy: -714.603 Base-Backbone interact. energy: -2.294 local terms energy: -783.199799 where: bonds (distance) C4'-P energy: -147.801 bonds (distance) P-C4' energy: -159.990 flat angles C4'-P-C4' energy: -180.785 flat angles P-C4'-P energy: -105.222 tors. eta vs tors. theta energy: -189.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2111.829684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.829684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.829684 (E_RNA) where: Base-Base interactions energy: -1352.511 where: short stacking energy: -614.019 Base-Backbone interact. energy: 3.195 local terms energy: -762.513807 where: bonds (distance) C4'-P energy: -151.557 bonds (distance) P-C4' energy: -165.951 flat angles C4'-P-C4' energy: -182.393 flat angles P-C4'-P energy: -103.395 tors. eta vs tors. theta energy: -159.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1625.297460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.297460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.297460 (E_RNA) where: Base-Base interactions energy: -1017.094 where: short stacking energy: -475.744 Base-Backbone interact. energy: 2.002 local terms energy: -610.205305 where: bonds (distance) C4'-P energy: -159.630 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -139.166 flat angles P-C4'-P energy: -87.954 tors. eta vs tors. theta energy: -67.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1424.948542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.948542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.948542 (E_RNA) where: Base-Base interactions energy: -821.628 where: short stacking energy: -401.188 Base-Backbone interact. energy: -2.102 local terms energy: -601.218826 where: bonds (distance) C4'-P energy: -161.998 bonds (distance) P-C4' energy: -161.153 flat angles C4'-P-C4' energy: -129.171 flat angles P-C4'-P energy: -89.292 tors. eta vs tors. theta energy: -59.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -955.727924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.727924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.727924 (E_RNA) where: Base-Base interactions energy: -461.836 where: short stacking energy: -266.781 Base-Backbone interact. energy: 1.875 local terms energy: -495.766664 where: bonds (distance) C4'-P energy: -146.298 bonds (distance) P-C4' energy: -153.821 flat angles C4'-P-C4' energy: -140.948 flat angles P-C4'-P energy: -62.424 tors. eta vs tors. theta energy: 7.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -682.475136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.475136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.475136 (E_RNA) where: Base-Base interactions energy: -259.685 where: short stacking energy: -195.731 Base-Backbone interact. energy: 4.622 local terms energy: -427.412394 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -141.845 flat angles C4'-P-C4' energy: -104.920 flat angles P-C4'-P energy: -82.207 tors. eta vs tors. theta energy: 25.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3014.058478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.058478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.058478 (E_RNA) where: Base-Base interactions energy: -2101.969 where: short stacking energy: -855.232 Base-Backbone interact. energy: -1.929 local terms energy: -910.160565 where: bonds (distance) C4'-P energy: -168.987 bonds (distance) P-C4' energy: -169.344 flat angles C4'-P-C4' energy: -193.530 flat angles P-C4'-P energy: -138.196 tors. eta vs tors. theta energy: -240.103 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: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2973.218335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.218335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.218335 (E_RNA) where: Base-Base interactions energy: -2025.178 where: short stacking energy: -895.870 Base-Backbone interact. energy: -3.920 local terms energy: -944.119785 where: bonds (distance) C4'-P energy: -165.255 bonds (distance) P-C4' energy: -157.329 flat angles C4'-P-C4' energy: -213.819 flat angles P-C4'-P energy: -147.223 tors. eta vs tors. theta energy: -260.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2782.042603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.042603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.042603 (E_RNA) where: Base-Base interactions energy: -1877.546 where: short stacking energy: -810.651 Base-Backbone interact. energy: -7.224 local terms energy: -897.272599 where: bonds (distance) C4'-P energy: -169.126 bonds (distance) P-C4' energy: -167.069 flat angles C4'-P-C4' energy: -199.878 flat angles P-C4'-P energy: -133.434 tors. eta vs tors. theta energy: -227.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2419.337243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.337243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.337243 (E_RNA) where: Base-Base interactions energy: -1585.887 where: short stacking energy: -691.079 Base-Backbone interact. energy: 2.931 local terms energy: -836.380643 where: bonds (distance) C4'-P energy: -153.541 bonds (distance) P-C4' energy: -176.012 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -133.356 tors. eta vs tors. theta energy: -187.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2322.283462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.283462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.283462 (E_RNA) where: Base-Base interactions energy: -1467.989 where: short stacking energy: -687.336 Base-Backbone interact. energy: -0.225 local terms energy: -854.070359 where: bonds (distance) C4'-P energy: -170.028 bonds (distance) P-C4' energy: -172.289 flat angles C4'-P-C4' energy: -175.927 flat angles P-C4'-P energy: -127.498 tors. eta vs tors. theta energy: -208.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2151.473778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.473778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.473778 (E_RNA) where: Base-Base interactions energy: -1410.132 where: short stacking energy: -646.034 Base-Backbone interact. energy: -2.153 local terms energy: -739.189064 where: bonds (distance) C4'-P energy: -159.574 bonds (distance) P-C4' energy: -157.731 flat angles C4'-P-C4' energy: -176.375 flat angles P-C4'-P energy: -81.594 tors. eta vs tors. theta energy: -163.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1640.944879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.944879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.944879 (E_RNA) where: Base-Base interactions energy: -1045.563 where: short stacking energy: -470.671 Base-Backbone interact. energy: 3.035 local terms energy: -598.416459 where: bonds (distance) C4'-P energy: -106.227 bonds (distance) P-C4' energy: -159.580 flat angles C4'-P-C4' energy: -171.992 flat angles P-C4'-P energy: -91.767 tors. eta vs tors. theta energy: -68.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1362.293966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.293966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.293966 (E_RNA) where: Base-Base interactions energy: -761.868 where: short stacking energy: -361.292 Base-Backbone interact. energy: 3.558 local terms energy: -603.983917 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -155.581 flat angles P-C4'-P energy: -88.911 tors. eta vs tors. theta energy: -67.035 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: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -924.415378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.415378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.415378 (E_RNA) where: Base-Base interactions energy: -435.676 where: short stacking energy: -257.263 Base-Backbone interact. energy: 3.438 local terms energy: -492.177535 where: bonds (distance) C4'-P energy: -154.091 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -121.633 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: 8.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -666.053942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.053942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.053942 (E_RNA) where: Base-Base interactions energy: -220.491 where: short stacking energy: -182.246 Base-Backbone interact. energy: 1.404 local terms energy: -446.966985 where: bonds (distance) C4'-P energy: -133.032 bonds (distance) P-C4' energy: -160.507 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: 27.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3092.886743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.886743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.886743 (E_RNA) where: Base-Base interactions energy: -2133.822 where: short stacking energy: -926.523 Base-Backbone interact. energy: -6.775 local terms energy: -952.290255 where: bonds (distance) C4'-P energy: -168.184 bonds (distance) P-C4' energy: -175.578 flat angles C4'-P-C4' energy: -212.776 flat angles P-C4'-P energy: -133.800 tors. eta vs tors. theta energy: -261.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2960.800282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.800282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.800282 (E_RNA) where: Base-Base interactions energy: -2014.055 where: short stacking energy: -868.665 Base-Backbone interact. energy: 1.656 local terms energy: -948.401433 where: bonds (distance) C4'-P energy: -170.839 bonds (distance) P-C4' energy: -196.285 flat angles C4'-P-C4' energy: -207.404 flat angles P-C4'-P energy: -133.236 tors. eta vs tors. theta energy: -240.637 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: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2777.808091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.808091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.808091 (E_RNA) where: Base-Base interactions energy: -1867.474 where: short stacking energy: -829.573 Base-Backbone interact. energy: 0.745 local terms energy: -911.078989 where: bonds (distance) C4'-P energy: -171.618 bonds (distance) P-C4' energy: -169.484 flat angles C4'-P-C4' energy: -192.358 flat angles P-C4'-P energy: -137.749 tors. eta vs tors. theta energy: -239.869 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: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2422.647836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.647836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.647836 (E_RNA) where: Base-Base interactions energy: -1617.451 where: short stacking energy: -717.849 Base-Backbone interact. energy: 4.776 local terms energy: -809.972774 where: bonds (distance) C4'-P energy: -169.441 bonds (distance) P-C4' energy: -172.373 flat angles C4'-P-C4' energy: -161.593 flat angles P-C4'-P energy: -125.346 tors. eta vs tors. theta energy: -181.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2300.038911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.038911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.038911 (E_RNA) where: Base-Base interactions energy: -1466.627 where: short stacking energy: -668.831 Base-Backbone interact. energy: -0.470 local terms energy: -832.942185 where: bonds (distance) C4'-P energy: -171.567 bonds (distance) P-C4' energy: -175.571 flat angles C4'-P-C4' energy: -169.506 flat angles P-C4'-P energy: -126.853 tors. eta vs tors. theta energy: -189.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2088.320451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.320451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.320451 (E_RNA) where: Base-Base interactions energy: -1338.748 where: short stacking energy: -609.493 Base-Backbone interact. energy: 6.368 local terms energy: -755.940409 where: bonds (distance) C4'-P energy: -168.701 bonds (distance) P-C4' energy: -170.984 flat angles C4'-P-C4' energy: -171.513 flat angles P-C4'-P energy: -122.252 tors. eta vs tors. theta energy: -122.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1680.266950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.266950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.266950 (E_RNA) where: Base-Base interactions energy: -999.811 where: short stacking energy: -466.901 Base-Backbone interact. energy: 0.951 local terms energy: -681.407231 where: bonds (distance) C4'-P energy: -160.915 bonds (distance) P-C4' energy: -176.750 flat angles C4'-P-C4' energy: -145.727 flat angles P-C4'-P energy: -113.205 tors. eta vs tors. theta energy: -84.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1364.593269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.593269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.593269 (E_RNA) where: Base-Base interactions energy: -766.909 where: short stacking energy: -359.370 Base-Backbone interact. energy: 4.387 local terms energy: -602.071102 where: bonds (distance) C4'-P energy: -149.692 bonds (distance) P-C4' energy: -163.833 flat angles C4'-P-C4' energy: -143.657 flat angles P-C4'-P energy: -81.661 tors. eta vs tors. theta energy: -63.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -984.307903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.307903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.307903 (E_RNA) where: Base-Base interactions energy: -496.905 where: short stacking energy: -307.143 Base-Backbone interact. energy: 6.911 local terms energy: -494.313842 where: bonds (distance) C4'-P energy: -134.696 bonds (distance) P-C4' energy: -136.189 flat angles C4'-P-C4' energy: -131.446 flat angles P-C4'-P energy: -84.505 tors. eta vs tors. theta energy: -7.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -669.331466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.331466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.331466 (E_RNA) where: Base-Base interactions energy: -237.655 where: short stacking energy: -198.148 Base-Backbone interact. energy: -2.554 local terms energy: -429.122293 where: bonds (distance) C4'-P energy: -146.498 bonds (distance) P-C4' energy: -142.015 flat angles C4'-P-C4' energy: -107.206 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: 17.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3053.429925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.429925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.429925 (E_RNA) where: Base-Base interactions energy: -2071.163 where: short stacking energy: -907.367 Base-Backbone interact. energy: -0.542 local terms energy: -981.724249 where: bonds (distance) C4'-P energy: -197.154 bonds (distance) P-C4' energy: -177.583 flat angles C4'-P-C4' energy: -198.765 flat angles P-C4'-P energy: -136.529 tors. eta vs tors. theta energy: -271.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2926.898596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.898596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.898596 (E_RNA) where: Base-Base interactions energy: -1982.329 where: short stacking energy: -858.948 Base-Backbone interact. energy: -1.509 local terms energy: -943.060904 where: bonds (distance) C4'-P energy: -173.260 bonds (distance) P-C4' energy: -170.655 flat angles C4'-P-C4' energy: -216.914 flat angles P-C4'-P energy: -133.117 tors. eta vs tors. theta energy: -249.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2778.791221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.791221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.791221 (E_RNA) where: Base-Base interactions energy: -1865.702 where: short stacking energy: -825.800 Base-Backbone interact. energy: -4.721 local terms energy: -908.367915 where: bonds (distance) C4'-P energy: -174.522 bonds (distance) P-C4' energy: -187.797 flat angles C4'-P-C4' energy: -192.927 flat angles P-C4'-P energy: -113.118 tors. eta vs tors. theta energy: -240.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2486.771112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.771112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.771112 (E_RNA) where: Base-Base interactions energy: -1666.223 where: short stacking energy: -739.999 Base-Backbone interact. energy: 0.372 local terms energy: -820.920676 where: bonds (distance) C4'-P energy: -168.607 bonds (distance) P-C4' energy: -167.339 flat angles C4'-P-C4' energy: -188.390 flat angles P-C4'-P energy: -109.960 tors. eta vs tors. theta energy: -186.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2375.214633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.214633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.214633 (E_RNA) where: Base-Base interactions energy: -1509.540 where: short stacking energy: -698.229 Base-Backbone interact. energy: -0.224 local terms energy: -865.450114 where: bonds (distance) C4'-P energy: -154.344 bonds (distance) P-C4' energy: -173.097 flat angles C4'-P-C4' energy: -187.518 flat angles P-C4'-P energy: -139.283 tors. eta vs tors. theta energy: -211.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2073.702890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.702890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.702890 (E_RNA) where: Base-Base interactions energy: -1364.200 where: short stacking energy: -629.060 Base-Backbone interact. energy: 5.729 local terms energy: -715.231150 where: bonds (distance) C4'-P energy: -163.396 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -169.472 flat angles P-C4'-P energy: -114.907 tors. eta vs tors. theta energy: -136.971 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: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1635.018392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.018392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.018392 (E_RNA) where: Base-Base interactions energy: -1013.548 where: short stacking energy: -451.089 Base-Backbone interact. energy: -4.380 local terms energy: -617.090070 where: bonds (distance) C4'-P energy: -152.468 bonds (distance) P-C4' energy: -159.327 flat angles C4'-P-C4' energy: -147.334 flat angles P-C4'-P energy: -84.110 tors. eta vs tors. theta energy: -73.852 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: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1429.027467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.027467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.027467 (E_RNA) where: Base-Base interactions energy: -822.292 where: short stacking energy: -365.270 Base-Backbone interact. energy: -3.022 local terms energy: -603.713293 where: bonds (distance) C4'-P energy: -148.361 bonds (distance) P-C4' energy: -155.871 flat angles C4'-P-C4' energy: -148.931 flat angles P-C4'-P energy: -106.713 tors. eta vs tors. theta energy: -43.838 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -981.426816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.426816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.426816 (E_RNA) where: Base-Base interactions energy: -477.593 where: short stacking energy: -260.608 Base-Backbone interact. energy: 1.783 local terms energy: -505.616817 where: bonds (distance) C4'-P energy: -162.183 bonds (distance) P-C4' energy: -164.471 flat angles C4'-P-C4' energy: -140.398 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: 21.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -754.071744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.071744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.071744 (E_RNA) where: Base-Base interactions energy: -299.123 where: short stacking energy: -206.092 Base-Backbone interact. energy: 8.870 local terms energy: -463.818171 where: bonds (distance) C4'-P energy: -130.689 bonds (distance) P-C4' energy: -161.291 flat angles C4'-P-C4' energy: -130.882 flat angles P-C4'-P energy: -69.287 tors. eta vs tors. theta energy: 28.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3056.555490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.555490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.555490 (E_RNA) where: Base-Base interactions energy: -2059.267 where: short stacking energy: -897.633 Base-Backbone interact. energy: -2.709 local terms energy: -994.578897 where: bonds (distance) C4'-P energy: -183.537 bonds (distance) P-C4' energy: -179.750 flat angles C4'-P-C4' energy: -220.789 flat angles P-C4'-P energy: -148.037 tors. eta vs tors. theta energy: -262.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2922.094782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.094782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.094782 (E_RNA) where: Base-Base interactions energy: -2020.182 where: short stacking energy: -859.837 Base-Backbone interact. energy: -3.077 local terms energy: -898.836457 where: bonds (distance) C4'-P energy: -163.292 bonds (distance) P-C4' energy: -182.132 flat angles C4'-P-C4' energy: -194.379 flat angles P-C4'-P energy: -119.981 tors. eta vs tors. theta energy: -239.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2762.971478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.971478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.971478 (E_RNA) where: Base-Base interactions energy: -1887.738 where: short stacking energy: -823.825 Base-Backbone interact. energy: -5.501 local terms energy: -869.731849 where: bonds (distance) C4'-P energy: -156.413 bonds (distance) P-C4' energy: -172.913 flat angles C4'-P-C4' energy: -188.449 flat angles P-C4'-P energy: -119.370 tors. eta vs tors. theta energy: -232.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2499.819008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.819008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.819008 (E_RNA) where: Base-Base interactions energy: -1660.809 where: short stacking energy: -722.277 Base-Backbone interact. energy: 3.458 local terms energy: -842.468440 where: bonds (distance) C4'-P energy: -181.607 bonds (distance) P-C4' energy: -170.792 flat angles C4'-P-C4' energy: -173.626 flat angles P-C4'-P energy: -120.159 tors. eta vs tors. theta energy: -196.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2343.104037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.104037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.104037 (E_RNA) where: Base-Base interactions energy: -1562.612 where: short stacking energy: -713.323 Base-Backbone interact. energy: 2.126 local terms energy: -782.617881 where: bonds (distance) C4'-P energy: -162.145 bonds (distance) P-C4' energy: -147.092 flat angles C4'-P-C4' energy: -157.724 flat angles P-C4'-P energy: -119.245 tors. eta vs tors. theta energy: -196.413 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: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2105.763403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.763403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.763403 (E_RNA) where: Base-Base interactions energy: -1366.464 where: short stacking energy: -628.346 Base-Backbone interact. energy: 0.286 local terms energy: -739.585823 where: bonds (distance) C4'-P energy: -159.302 bonds (distance) P-C4' energy: -154.787 flat angles C4'-P-C4' energy: -161.543 flat angles P-C4'-P energy: -104.470 tors. eta vs tors. theta energy: -159.483 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: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1633.718833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.718833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.718833 (E_RNA) where: Base-Base interactions energy: -995.181 where: short stacking energy: -439.353 Base-Backbone interact. energy: 2.937 local terms energy: -641.474485 where: bonds (distance) C4'-P energy: -150.720 bonds (distance) P-C4' energy: -167.667 flat angles C4'-P-C4' energy: -163.804 flat angles P-C4'-P energy: -87.525 tors. eta vs tors. theta energy: -71.759 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: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1405.064574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.064574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.064574 (E_RNA) where: Base-Base interactions energy: -804.340 where: short stacking energy: -397.560 Base-Backbone interact. energy: 1.651 local terms energy: -602.375601 where: bonds (distance) C4'-P energy: -157.779 bonds (distance) P-C4' energy: -153.278 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -53.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -945.514759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.514759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.514759 (E_RNA) where: Base-Base interactions energy: -457.159 where: short stacking energy: -254.900 Base-Backbone interact. energy: 0.243 local terms energy: -488.599292 where: bonds (distance) C4'-P energy: -146.030 bonds (distance) P-C4' energy: -152.372 flat angles C4'-P-C4' energy: -143.763 flat angles P-C4'-P energy: -69.836 tors. eta vs tors. theta energy: 23.402 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: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -688.799750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.799750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.799750 (E_RNA) where: Base-Base interactions energy: -255.809 where: short stacking energy: -198.235 Base-Backbone interact. energy: 12.406 local terms energy: -445.397155 where: bonds (distance) C4'-P energy: -147.746 bonds (distance) P-C4' energy: -128.755 flat angles C4'-P-C4' energy: -127.177 flat angles P-C4'-P energy: -77.532 tors. eta vs tors. theta energy: 35.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3085.451637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.451637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.451637 (E_RNA) where: Base-Base interactions energy: -2113.282 where: short stacking energy: -937.888 Base-Backbone interact. energy: -0.780 local terms energy: -971.389569 where: bonds (distance) C4'-P energy: -169.962 bonds (distance) P-C4' energy: -180.730 flat angles C4'-P-C4' energy: -210.890 flat angles P-C4'-P energy: -145.161 tors. eta vs tors. theta energy: -264.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2928.491283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.491283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.491283 (E_RNA) where: Base-Base interactions energy: -2001.543 where: short stacking energy: -846.459 Base-Backbone interact. energy: -5.269 local terms energy: -921.679033 where: bonds (distance) C4'-P energy: -182.953 bonds (distance) P-C4' energy: -181.682 flat angles C4'-P-C4' energy: -204.044 flat angles P-C4'-P energy: -119.990 tors. eta vs tors. theta energy: -233.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2781.220136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.220136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.220136 (E_RNA) where: Base-Base interactions energy: -1885.997 where: short stacking energy: -836.431 Base-Backbone interact. energy: -3.437 local terms energy: -891.785992 where: bonds (distance) C4'-P energy: -162.776 bonds (distance) P-C4' energy: -159.595 flat angles C4'-P-C4' energy: -206.502 flat angles P-C4'-P energy: -120.686 tors. eta vs tors. theta energy: -242.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2524.009817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.009817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.009817 (E_RNA) where: Base-Base interactions energy: -1688.906 where: short stacking energy: -772.261 Base-Backbone interact. energy: 0.221 local terms energy: -835.324162 where: bonds (distance) C4'-P energy: -143.251 bonds (distance) P-C4' energy: -187.755 flat angles C4'-P-C4' energy: -172.951 flat angles P-C4'-P energy: -111.820 tors. eta vs tors. theta energy: -219.547 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: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2301.709188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.709188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.709188 (E_RNA) where: Base-Base interactions energy: -1454.728 where: short stacking energy: -682.759 Base-Backbone interact. energy: -2.951 local terms energy: -844.030705 where: bonds (distance) C4'-P energy: -152.426 bonds (distance) P-C4' energy: -177.159 flat angles C4'-P-C4' energy: -189.176 flat angles P-C4'-P energy: -126.751 tors. eta vs tors. theta energy: -198.518 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: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2097.024713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.024713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.024713 (E_RNA) where: Base-Base interactions energy: -1321.351 where: short stacking energy: -613.076 Base-Backbone interact. energy: -1.055 local terms energy: -774.618873 where: bonds (distance) C4'-P energy: -167.677 bonds (distance) P-C4' energy: -161.505 flat angles C4'-P-C4' energy: -185.945 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -152.011 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1627.077254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.077254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.077254 (E_RNA) where: Base-Base interactions energy: -1016.874 where: short stacking energy: -495.714 Base-Backbone interact. energy: 3.111 local terms energy: -613.314293 where: bonds (distance) C4'-P energy: -135.460 bonds (distance) P-C4' energy: -162.352 flat angles C4'-P-C4' energy: -134.928 flat angles P-C4'-P energy: -92.263 tors. eta vs tors. theta energy: -88.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1396.611311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.611311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.611311 (E_RNA) where: Base-Base interactions energy: -806.824 where: short stacking energy: -403.283 Base-Backbone interact. energy: -2.498 local terms energy: -587.288826 where: bonds (distance) C4'-P energy: -154.365 bonds (distance) P-C4' energy: -157.335 flat angles C4'-P-C4' energy: -156.999 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -59.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -933.779397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.779397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.779397 (E_RNA) where: Base-Base interactions energy: -436.888 where: short stacking energy: -235.628 Base-Backbone interact. energy: -2.069 local terms energy: -494.822856 where: bonds (distance) C4'-P energy: -128.686 bonds (distance) P-C4' energy: -172.233 flat angles C4'-P-C4' energy: -124.300 flat angles P-C4'-P energy: -74.544 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: 10, replica: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -694.762300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.762300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.762300 (E_RNA) where: Base-Base interactions energy: -236.721 where: short stacking energy: -207.816 Base-Backbone interact. energy: 5.319 local terms energy: -463.360812 where: bonds (distance) C4'-P energy: -153.298 bonds (distance) P-C4' energy: -136.458 flat angles C4'-P-C4' energy: -128.278 flat angles P-C4'-P energy: -60.173 tors. eta vs tors. theta energy: 14.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3088.694383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.694383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.694383 (E_RNA) where: Base-Base interactions energy: -2146.413 where: short stacking energy: -920.071 Base-Backbone interact. energy: -3.399 local terms energy: -938.882642 where: bonds (distance) C4'-P energy: -170.716 bonds (distance) P-C4' energy: -185.607 flat angles C4'-P-C4' energy: -191.450 flat angles P-C4'-P energy: -132.704 tors. eta vs tors. theta energy: -258.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2926.637285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.637285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.637285 (E_RNA) where: Base-Base interactions energy: -2021.300 where: short stacking energy: -864.837 Base-Backbone interact. energy: -3.583 local terms energy: -901.754813 where: bonds (distance) C4'-P energy: -175.049 bonds (distance) P-C4' energy: -161.765 flat angles C4'-P-C4' energy: -192.127 flat angles P-C4'-P energy: -139.549 tors. eta vs tors. theta energy: -233.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2806.367954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.367954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.367954 (E_RNA) where: Base-Base interactions energy: -1934.671 where: short stacking energy: -848.377 Base-Backbone interact. energy: -4.384 local terms energy: -867.313565 where: bonds (distance) C4'-P energy: -173.799 bonds (distance) P-C4' energy: -156.531 flat angles C4'-P-C4' energy: -191.474 flat angles P-C4'-P energy: -112.950 tors. eta vs tors. theta energy: -232.560 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: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2481.940362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.940362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.940362 (E_RNA) where: Base-Base interactions energy: -1645.322 where: short stacking energy: -727.092 Base-Backbone interact. energy: -2.877 local terms energy: -833.741117 where: bonds (distance) C4'-P energy: -162.863 bonds (distance) P-C4' energy: -169.480 flat angles C4'-P-C4' energy: -196.333 flat angles P-C4'-P energy: -111.226 tors. eta vs tors. theta energy: -193.839 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: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2296.194904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.194904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.194904 (E_RNA) where: Base-Base interactions energy: -1514.461 where: short stacking energy: -711.066 Base-Backbone interact. energy: -1.685 local terms energy: -780.048651 where: bonds (distance) C4'-P energy: -165.659 bonds (distance) P-C4' energy: -155.332 flat angles C4'-P-C4' energy: -188.918 flat angles P-C4'-P energy: -90.389 tors. eta vs tors. theta energy: -179.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2001.506274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.506274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.506274 (E_RNA) where: Base-Base interactions energy: -1288.154 where: short stacking energy: -585.484 Base-Backbone interact. energy: -1.490 local terms energy: -711.862074 where: bonds (distance) C4'-P energy: -165.542 bonds (distance) P-C4' energy: -141.065 flat angles C4'-P-C4' energy: -148.664 flat angles P-C4'-P energy: -111.699 tors. eta vs tors. theta energy: -144.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1579.900540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.900540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.900540 (E_RNA) where: Base-Base interactions energy: -960.834 where: short stacking energy: -439.810 Base-Backbone interact. energy: -1.593 local terms energy: -617.474205 where: bonds (distance) C4'-P energy: -160.748 bonds (distance) P-C4' energy: -147.308 flat angles C4'-P-C4' energy: -149.040 flat angles P-C4'-P energy: -75.637 tors. eta vs tors. theta energy: -84.742 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: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1366.456011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.456011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.456011 (E_RNA) where: Base-Base interactions energy: -828.267 where: short stacking energy: -358.640 Base-Backbone interact. energy: 1.521 local terms energy: -539.709562 where: bonds (distance) C4'-P energy: -138.741 bonds (distance) P-C4' energy: -154.429 flat angles C4'-P-C4' energy: -131.717 flat angles P-C4'-P energy: -88.211 tors. eta vs tors. theta energy: -26.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -899.499785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.499785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.499785 (E_RNA) where: Base-Base interactions energy: -436.704 where: short stacking energy: -238.462 Base-Backbone interact. energy: -2.556 local terms energy: -460.239901 where: bonds (distance) C4'-P energy: -138.185 bonds (distance) P-C4' energy: -142.998 flat angles C4'-P-C4' energy: -119.904 flat angles P-C4'-P energy: -78.094 tors. eta vs tors. theta energy: 18.940 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: -650.858539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.858539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.858539 (E_RNA) where: Base-Base interactions energy: -220.009 where: short stacking energy: -184.974 Base-Backbone interact. energy: 3.811 local terms energy: -434.660619 where: bonds (distance) C4'-P energy: -145.385 bonds (distance) P-C4' energy: -170.508 flat angles C4'-P-C4' energy: -111.820 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: 52.522 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: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3115.245363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.245363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.245363 (E_RNA) where: Base-Base interactions energy: -2135.153 where: short stacking energy: -897.392 Base-Backbone interact. energy: -5.068 local terms energy: -975.024073 where: bonds (distance) C4'-P energy: -180.532 bonds (distance) P-C4' energy: -192.619 flat angles C4'-P-C4' energy: -218.071 flat angles P-C4'-P energy: -130.777 tors. eta vs tors. theta energy: -253.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2956.206234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.206234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.206234 (E_RNA) where: Base-Base interactions energy: -2059.310 where: short stacking energy: -845.329 Base-Backbone interact. energy: -0.749 local terms energy: -896.147266 where: bonds (distance) C4'-P energy: -157.585 bonds (distance) P-C4' energy: -166.929 flat angles C4'-P-C4' energy: -214.190 flat angles P-C4'-P energy: -133.980 tors. eta vs tors. theta energy: -223.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2762.618167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.618167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.618167 (E_RNA) where: Base-Base interactions energy: -1877.342 where: short stacking energy: -786.111 Base-Backbone interact. energy: -4.645 local terms energy: -880.631628 where: bonds (distance) C4'-P energy: -152.498 bonds (distance) P-C4' energy: -172.964 flat angles C4'-P-C4' energy: -210.176 flat angles P-C4'-P energy: -114.945 tors. eta vs tors. theta energy: -230.048 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: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2448.727686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.727686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.727686 (E_RNA) where: Base-Base interactions energy: -1639.546 where: short stacking energy: -716.293 Base-Backbone interact. energy: -3.371 local terms energy: -805.810958 where: bonds (distance) C4'-P energy: -169.503 bonds (distance) P-C4' energy: -150.403 flat angles C4'-P-C4' energy: -183.485 flat angles P-C4'-P energy: -109.294 tors. eta vs tors. theta energy: -193.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2345.945311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.945311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.945311 (E_RNA) where: Base-Base interactions energy: -1561.603 where: short stacking energy: -719.502 Base-Backbone interact. energy: -3.201 local terms energy: -781.142004 where: bonds (distance) C4'-P energy: -160.284 bonds (distance) P-C4' energy: -147.224 flat angles C4'-P-C4' energy: -167.093 flat angles P-C4'-P energy: -112.780 tors. eta vs tors. theta energy: -193.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2053.558944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.558944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.558944 (E_RNA) where: Base-Base interactions energy: -1323.840 where: short stacking energy: -638.058 Base-Backbone interact. energy: 4.486 local terms energy: -734.204843 where: bonds (distance) C4'-P energy: -130.901 bonds (distance) P-C4' energy: -164.396 flat angles C4'-P-C4' energy: -191.502 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -154.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1610.205329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.205329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.205329 (E_RNA) where: Base-Base interactions energy: -1010.990 where: short stacking energy: -476.011 Base-Backbone interact. energy: -2.709 local terms energy: -596.505822 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -173.331 flat angles C4'-P-C4' energy: -144.321 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: -91.142 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: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1355.510870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.510870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.510870 (E_RNA) where: Base-Base interactions energy: -782.208 where: short stacking energy: -354.057 Base-Backbone interact. energy: -1.235 local terms energy: -572.067711 where: bonds (distance) C4'-P energy: -176.545 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -135.084 flat angles P-C4'-P energy: -90.782 tors. eta vs tors. theta energy: -32.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -900.195904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.195904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.195904 (E_RNA) where: Base-Base interactions energy: -391.674 where: short stacking energy: -228.834 Base-Backbone interact. energy: 5.153 local terms energy: -513.675135 where: bonds (distance) C4'-P energy: -153.103 bonds (distance) P-C4' energy: -163.350 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -71.757 tors. eta vs tors. theta energy: 23.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -687.858622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.858622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.858622 (E_RNA) where: Base-Base interactions energy: -200.750 where: short stacking energy: -161.519 Base-Backbone interact. energy: 1.351 local terms energy: -488.458663 where: bonds (distance) C4'-P energy: -143.021 bonds (distance) P-C4' energy: -172.641 flat angles C4'-P-C4' energy: -132.991 flat angles P-C4'-P energy: -51.898 tors. eta vs tors. theta energy: 12.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3091.717626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.717626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.717626 (E_RNA) where: Base-Base interactions energy: -2127.755 where: short stacking energy: -879.135 Base-Backbone interact. energy: 1.274 local terms energy: -965.236042 where: bonds (distance) C4'-P energy: -181.127 bonds (distance) P-C4' energy: -192.870 flat angles C4'-P-C4' energy: -201.601 flat angles P-C4'-P energy: -140.336 tors. eta vs tors. theta energy: -249.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2979.561187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.561187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.561187 (E_RNA) where: Base-Base interactions energy: -2039.234 where: short stacking energy: -867.520 Base-Backbone interact. energy: -0.805 local terms energy: -939.521849 where: bonds (distance) C4'-P energy: -190.207 bonds (distance) P-C4' energy: -182.806 flat angles C4'-P-C4' energy: -199.698 flat angles P-C4'-P energy: -132.167 tors. eta vs tors. theta energy: -234.643 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: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2774.926854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.926854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.926854 (E_RNA) where: Base-Base interactions energy: -1880.169 where: short stacking energy: -815.346 Base-Backbone interact. energy: -4.763 local terms energy: -889.994228 where: bonds (distance) C4'-P energy: -183.665 bonds (distance) P-C4' energy: -166.905 flat angles C4'-P-C4' energy: -193.239 flat angles P-C4'-P energy: -125.532 tors. eta vs tors. theta energy: -220.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2486.690135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.690135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.690135 (E_RNA) where: Base-Base interactions energy: -1638.000 where: short stacking energy: -744.389 Base-Backbone interact. energy: -1.786 local terms energy: -846.904025 where: bonds (distance) C4'-P energy: -151.874 bonds (distance) P-C4' energy: -185.537 flat angles C4'-P-C4' energy: -186.503 flat angles P-C4'-P energy: -125.001 tors. eta vs tors. theta energy: -197.988 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: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2283.272832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.272832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.272832 (E_RNA) where: Base-Base interactions energy: -1475.873 where: short stacking energy: -670.503 Base-Backbone interact. energy: 2.573 local terms energy: -809.972978 where: bonds (distance) C4'-P energy: -163.212 bonds (distance) P-C4' energy: -164.486 flat angles C4'-P-C4' energy: -185.756 flat angles P-C4'-P energy: -120.685 tors. eta vs tors. theta energy: -175.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2026.682423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.682423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.682423 (E_RNA) where: Base-Base interactions energy: -1288.519 where: short stacking energy: -587.136 Base-Backbone interact. energy: -1.522 local terms energy: -736.640981 where: bonds (distance) C4'-P energy: -144.322 bonds (distance) P-C4' energy: -164.621 flat angles C4'-P-C4' energy: -170.611 flat angles P-C4'-P energy: -112.032 tors. eta vs tors. theta energy: -145.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1584.545003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.545003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.545003 (E_RNA) where: Base-Base interactions energy: -971.831 where: short stacking energy: -446.740 Base-Backbone interact. energy: -3.542 local terms energy: -609.171744 where: bonds (distance) C4'-P energy: -154.653 bonds (distance) P-C4' energy: -136.325 flat angles C4'-P-C4' energy: -161.622 flat angles P-C4'-P energy: -78.371 tors. eta vs tors. theta energy: -78.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1237.586446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.586446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.586446 (E_RNA) where: Base-Base interactions energy: -700.257 where: short stacking energy: -338.453 Base-Backbone interact. energy: 2.901 local terms energy: -540.230978 where: bonds (distance) C4'-P energy: -151.077 bonds (distance) P-C4' energy: -140.138 flat angles C4'-P-C4' energy: -139.364 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -25.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -903.300266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.300266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.300266 (E_RNA) where: Base-Base interactions energy: -390.574 where: short stacking energy: -233.849 Base-Backbone interact. energy: -2.836 local terms energy: -509.890936 where: bonds (distance) C4'-P energy: -135.563 bonds (distance) P-C4' energy: -148.698 flat angles C4'-P-C4' energy: -143.951 flat angles P-C4'-P energy: -86.022 tors. eta vs tors. theta energy: 4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -702.505218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.505218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.505218 (E_RNA) where: Base-Base interactions energy: -264.569 where: short stacking energy: -202.873 Base-Backbone interact. energy: 7.286 local terms energy: -445.221955 where: bonds (distance) C4'-P energy: -152.998 bonds (distance) P-C4' energy: -149.293 flat angles C4'-P-C4' energy: -93.033 flat angles P-C4'-P energy: -69.090 tors. eta vs tors. theta energy: 19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3095.515217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.515217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.515217 (E_RNA) where: Base-Base interactions energy: -2149.249 where: short stacking energy: -870.550 Base-Backbone interact. energy: -3.082 local terms energy: -943.184389 where: bonds (distance) C4'-P energy: -178.452 bonds (distance) P-C4' energy: -177.787 flat angles C4'-P-C4' energy: -191.569 flat angles P-C4'-P energy: -133.516 tors. eta vs tors. theta energy: -261.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2970.691751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.691751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.691751 (E_RNA) where: Base-Base interactions energy: -2021.888 where: short stacking energy: -853.352 Base-Backbone interact. energy: -3.523 local terms energy: -945.280694 where: bonds (distance) C4'-P energy: -181.089 bonds (distance) P-C4' energy: -182.714 flat angles C4'-P-C4' energy: -207.609 flat angles P-C4'-P energy: -133.517 tors. eta vs tors. theta energy: -240.352 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: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2768.922413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.922413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.922413 (E_RNA) where: Base-Base interactions energy: -1892.103 where: short stacking energy: -801.521 Base-Backbone interact. energy: 0.186 local terms energy: -877.005156 where: bonds (distance) C4'-P energy: -167.149 bonds (distance) P-C4' energy: -174.812 flat angles C4'-P-C4' energy: -187.771 flat angles P-C4'-P energy: -121.659 tors. eta vs tors. theta energy: -225.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2526.982932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.982932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.982932 (E_RNA) where: Base-Base interactions energy: -1657.835 where: short stacking energy: -746.144 Base-Backbone interact. energy: -4.680 local terms energy: -864.467690 where: bonds (distance) C4'-P energy: -172.204 bonds (distance) P-C4' energy: -165.525 flat angles C4'-P-C4' energy: -192.946 flat angles P-C4'-P energy: -114.208 tors. eta vs tors. theta energy: -219.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2317.447014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.447014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.447014 (E_RNA) where: Base-Base interactions energy: -1514.099 where: short stacking energy: -689.627 Base-Backbone interact. energy: -2.700 local terms energy: -800.648427 where: bonds (distance) C4'-P energy: -145.204 bonds (distance) P-C4' energy: -174.563 flat angles C4'-P-C4' energy: -193.745 flat angles P-C4'-P energy: -97.922 tors. eta vs tors. theta energy: -189.214 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: 255 Temperature: 1.150000 Total energy: -1984.585256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.585256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.585256 (E_RNA) where: Base-Base interactions energy: -1243.833 where: short stacking energy: -558.447 Base-Backbone interact. energy: -2.984 local terms energy: -737.767948 where: bonds (distance) C4'-P energy: -159.767 bonds (distance) P-C4' energy: -160.736 flat angles C4'-P-C4' energy: -167.897 flat angles P-C4'-P energy: -113.209 tors. eta vs tors. theta energy: -136.159 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: 255 Temperature: 1.200000 Total energy: -1641.032975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.032975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.032975 (E_RNA) where: Base-Base interactions energy: -990.704 where: short stacking energy: -469.081 Base-Backbone interact. energy: 0.132 local terms energy: -650.461134 where: bonds (distance) C4'-P energy: -160.522 bonds (distance) P-C4' energy: -166.470 flat angles C4'-P-C4' energy: -163.257 flat angles P-C4'-P energy: -93.357 tors. eta vs tors. theta energy: -66.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1400.250713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.250713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.250713 (E_RNA) where: Base-Base interactions energy: -770.438 where: short stacking energy: -370.888 Base-Backbone interact. energy: -0.637 local terms energy: -629.175705 where: bonds (distance) C4'-P energy: -153.443 bonds (distance) P-C4' energy: -165.769 flat angles C4'-P-C4' energy: -147.191 flat angles P-C4'-P energy: -90.850 tors. eta vs tors. theta energy: -71.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -873.226163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.226163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.226163 (E_RNA) where: Base-Base interactions energy: -414.297 where: short stacking energy: -252.410 Base-Backbone interact. energy: 3.031 local terms energy: -461.960897 where: bonds (distance) C4'-P energy: -126.875 bonds (distance) P-C4' energy: -139.861 flat angles C4'-P-C4' energy: -141.671 flat angles P-C4'-P energy: -86.083 tors. eta vs tors. theta energy: 32.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -695.833447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.833447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.833447 (E_RNA) where: Base-Base interactions energy: -259.777 where: short stacking energy: -193.945 Base-Backbone interact. energy: 2.520 local terms energy: -438.576517 where: bonds (distance) C4'-P energy: -124.925 bonds (distance) P-C4' energy: -153.584 flat angles C4'-P-C4' energy: -140.799 flat angles P-C4'-P energy: -68.029 tors. eta vs tors. theta energy: 48.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3075.355505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.355505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.355505 (E_RNA) where: Base-Base interactions energy: -2110.406 where: short stacking energy: -901.908 Base-Backbone interact. energy: -2.487 local terms energy: -962.462304 where: bonds (distance) C4'-P energy: -183.995 bonds (distance) P-C4' energy: -187.263 flat angles C4'-P-C4' energy: -198.309 flat angles P-C4'-P energy: -139.388 tors. eta vs tors. theta energy: -253.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2950.716564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.716564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.716564 (E_RNA) where: Base-Base interactions energy: -2022.907 where: short stacking energy: -869.098 Base-Backbone interact. energy: -1.129 local terms energy: -926.680454 where: bonds (distance) C4'-P energy: -167.591 bonds (distance) P-C4' energy: -175.933 flat angles C4'-P-C4' energy: -206.867 flat angles P-C4'-P energy: -136.160 tors. eta vs tors. theta energy: -240.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2774.638718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.638718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.638718 (E_RNA) where: Base-Base interactions energy: -1884.050 where: short stacking energy: -812.623 Base-Backbone interact. energy: -2.582 local terms energy: -888.006856 where: bonds (distance) C4'-P energy: -153.160 bonds (distance) P-C4' energy: -185.168 flat angles C4'-P-C4' energy: -207.377 flat angles P-C4'-P energy: -127.124 tors. eta vs tors. theta energy: -215.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2477.820710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.820710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.820710 (E_RNA) where: Base-Base interactions energy: -1664.590 where: short stacking energy: -746.871 Base-Backbone interact. energy: -1.711 local terms energy: -811.519730 where: bonds (distance) C4'-P energy: -167.582 bonds (distance) P-C4' energy: -168.596 flat angles C4'-P-C4' energy: -179.915 flat angles P-C4'-P energy: -100.564 tors. eta vs tors. theta energy: -194.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2314.550796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.550796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.550796 (E_RNA) where: Base-Base interactions energy: -1474.644 where: short stacking energy: -643.848 Base-Backbone interact. energy: -2.626 local terms energy: -837.281390 where: bonds (distance) C4'-P energy: -162.683 bonds (distance) P-C4' energy: -187.553 flat angles C4'-P-C4' energy: -187.442 flat angles P-C4'-P energy: -113.962 tors. eta vs tors. theta energy: -185.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2060.647351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.647351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.647351 (E_RNA) where: Base-Base interactions energy: -1348.381 where: short stacking energy: -583.429 Base-Backbone interact. energy: -1.555 local terms energy: -710.711650 where: bonds (distance) C4'-P energy: -144.293 bonds (distance) P-C4' energy: -163.565 flat angles C4'-P-C4' energy: -159.983 flat angles P-C4'-P energy: -94.008 tors. eta vs tors. theta energy: -148.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1697.103233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.103233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.103233 (E_RNA) where: Base-Base interactions energy: -1052.336 where: short stacking energy: -442.490 Base-Backbone interact. energy: -4.101 local terms energy: -640.666500 where: bonds (distance) C4'-P energy: -162.113 bonds (distance) P-C4' energy: -139.929 flat angles C4'-P-C4' energy: -152.216 flat angles P-C4'-P energy: -110.006 tors. eta vs tors. theta energy: -76.403 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: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1311.132455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.132455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.132455 (E_RNA) where: Base-Base interactions energy: -770.567 where: short stacking energy: -350.843 Base-Backbone interact. energy: 5.299 local terms energy: -545.864958 where: bonds (distance) C4'-P energy: -131.775 bonds (distance) P-C4' energy: -154.878 flat angles C4'-P-C4' energy: -148.744 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -32.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -896.527121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.527121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.527121 (E_RNA) where: Base-Base interactions energy: -422.001 where: short stacking energy: -268.963 Base-Backbone interact. energy: 2.601 local terms energy: -477.126744 where: bonds (distance) C4'-P energy: -142.475 bonds (distance) P-C4' energy: -153.912 flat angles C4'-P-C4' energy: -109.271 flat angles P-C4'-P energy: -67.436 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -697.316646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.316646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.316646 (E_RNA) where: Base-Base interactions energy: -246.295 where: short stacking energy: -186.585 Base-Backbone interact. energy: -0.776 local terms energy: -450.246417 where: bonds (distance) C4'-P energy: -147.026 bonds (distance) P-C4' energy: -143.267 flat angles C4'-P-C4' energy: -119.292 flat angles P-C4'-P energy: -74.341 tors. eta vs tors. theta energy: 33.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3099.431309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.431309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.431309 (E_RNA) where: Base-Base interactions energy: -2135.018 where: short stacking energy: -909.967 Base-Backbone interact. energy: 0.520 local terms energy: -964.932592 where: bonds (distance) C4'-P energy: -173.521 bonds (distance) P-C4' energy: -182.130 flat angles C4'-P-C4' energy: -201.976 flat angles P-C4'-P energy: -146.655 tors. eta vs tors. theta energy: -260.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2963.031735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.031735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.031735 (E_RNA) where: Base-Base interactions energy: -2034.296 where: short stacking energy: -838.405 Base-Backbone interact. energy: -2.660 local terms energy: -926.075885 where: bonds (distance) C4'-P energy: -179.061 bonds (distance) P-C4' energy: -170.531 flat angles C4'-P-C4' energy: -206.303 flat angles P-C4'-P energy: -125.306 tors. eta vs tors. theta energy: -244.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2801.345097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.345097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.345097 (E_RNA) where: Base-Base interactions energy: -1897.500 where: short stacking energy: -793.322 Base-Backbone interact. energy: -3.621 local terms energy: -900.224666 where: bonds (distance) C4'-P energy: -157.837 bonds (distance) P-C4' energy: -170.423 flat angles C4'-P-C4' energy: -211.087 flat angles P-C4'-P energy: -137.301 tors. eta vs tors. theta energy: -223.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2534.230795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.230795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.230795 (E_RNA) where: Base-Base interactions energy: -1693.592 where: short stacking energy: -706.811 Base-Backbone interact. energy: -1.222 local terms energy: -839.416290 where: bonds (distance) C4'-P energy: -162.736 bonds (distance) P-C4' energy: -180.224 flat angles C4'-P-C4' energy: -181.932 flat angles P-C4'-P energy: -106.689 tors. eta vs tors. theta energy: -207.836 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: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2373.093105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.093105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.093105 (E_RNA) where: Base-Base interactions energy: -1527.984 where: short stacking energy: -702.260 Base-Backbone interact. energy: -3.001 local terms energy: -842.108339 where: bonds (distance) C4'-P energy: -176.917 bonds (distance) P-C4' energy: -166.204 flat angles C4'-P-C4' energy: -181.709 flat angles P-C4'-P energy: -106.063 tors. eta vs tors. theta energy: -211.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2072.664012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.664012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.664012 (E_RNA) where: Base-Base interactions energy: -1294.872 where: short stacking energy: -597.599 Base-Backbone interact. energy: -2.751 local terms energy: -775.040568 where: bonds (distance) C4'-P energy: -161.234 bonds (distance) P-C4' energy: -166.622 flat angles C4'-P-C4' energy: -183.430 flat angles P-C4'-P energy: -113.526 tors. eta vs tors. theta energy: -150.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1735.976049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.976049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.976049 (E_RNA) where: Base-Base interactions energy: -1093.566 where: short stacking energy: -481.418 Base-Backbone interact. energy: 1.256 local terms energy: -643.666163 where: bonds (distance) C4'-P energy: -134.610 bonds (distance) P-C4' energy: -165.907 flat angles C4'-P-C4' energy: -149.302 flat angles P-C4'-P energy: -110.431 tors. eta vs tors. theta energy: -83.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1295.407654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.407654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.407654 (E_RNA) where: Base-Base interactions energy: -734.030 where: short stacking energy: -370.251 Base-Backbone interact. energy: -0.529 local terms energy: -560.849354 where: bonds (distance) C4'-P energy: -138.447 bonds (distance) P-C4' energy: -153.959 flat angles C4'-P-C4' energy: -131.610 flat angles P-C4'-P energy: -94.780 tors. eta vs tors. theta energy: -42.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -905.712082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.712082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.712082 (E_RNA) where: Base-Base interactions energy: -370.665 where: short stacking energy: -238.910 Base-Backbone interact. energy: -0.601 local terms energy: -534.446063 where: bonds (distance) C4'-P energy: -148.157 bonds (distance) P-C4' energy: -176.004 flat angles C4'-P-C4' energy: -135.800 flat angles P-C4'-P energy: -76.028 tors. eta vs tors. theta energy: 1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -691.908024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.908024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.908024 (E_RNA) where: Base-Base interactions energy: -268.198 where: short stacking energy: -189.293 Base-Backbone interact. energy: 3.188 local terms energy: -426.898391 where: bonds (distance) C4'-P energy: -134.832 bonds (distance) P-C4' energy: -154.224 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: 39.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3135.120207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.120207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.120207 (E_RNA) where: Base-Base interactions energy: -2141.111 where: short stacking energy: -886.398 Base-Backbone interact. energy: 2.087 local terms energy: -996.096059 where: bonds (distance) C4'-P energy: -199.748 bonds (distance) P-C4' energy: -196.327 flat angles C4'-P-C4' energy: -206.976 flat angles P-C4'-P energy: -137.849 tors. eta vs tors. theta energy: -255.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2940.793622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.793622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.793622 (E_RNA) where: Base-Base interactions energy: -2022.138 where: short stacking energy: -840.494 Base-Backbone interact. energy: -0.567 local terms energy: -918.088029 where: bonds (distance) C4'-P energy: -181.650 bonds (distance) P-C4' energy: -180.062 flat angles C4'-P-C4' energy: -199.533 flat angles P-C4'-P energy: -136.852 tors. eta vs tors. theta energy: -219.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2738.142399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.142399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.142399 (E_RNA) where: Base-Base interactions energy: -1867.721 where: short stacking energy: -799.781 Base-Backbone interact. energy: 4.328 local terms energy: -874.749273 where: bonds (distance) C4'-P energy: -159.841 bonds (distance) P-C4' energy: -160.409 flat angles C4'-P-C4' energy: -194.046 flat angles P-C4'-P energy: -128.506 tors. eta vs tors. theta energy: -231.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2512.460722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.460722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.460722 (E_RNA) where: Base-Base interactions energy: -1641.646 where: short stacking energy: -753.270 Base-Backbone interact. energy: -4.487 local terms energy: -866.327025 where: bonds (distance) C4'-P energy: -153.937 bonds (distance) P-C4' energy: -186.963 flat angles C4'-P-C4' energy: -175.835 flat angles P-C4'-P energy: -133.239 tors. eta vs tors. theta energy: -216.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2295.842508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.842508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.842508 (E_RNA) where: Base-Base interactions energy: -1439.005 where: short stacking energy: -673.575 Base-Backbone interact. energy: -1.105 local terms energy: -855.732284 where: bonds (distance) C4'-P energy: -169.158 bonds (distance) P-C4' energy: -185.806 flat angles C4'-P-C4' energy: -186.518 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -199.607 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: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1994.956245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.956245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.956245 (E_RNA) where: Base-Base interactions energy: -1255.838 where: short stacking energy: -583.455 Base-Backbone interact. energy: 6.171 local terms energy: -745.289165 where: bonds (distance) C4'-P energy: -160.102 bonds (distance) P-C4' energy: -165.367 flat angles C4'-P-C4' energy: -172.212 flat angles P-C4'-P energy: -104.991 tors. eta vs tors. theta energy: -142.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1800.081038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.081038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.081038 (E_RNA) where: Base-Base interactions energy: -1179.763 where: short stacking energy: -515.498 Base-Backbone interact. energy: 0.635 local terms energy: -620.952532 where: bonds (distance) C4'-P energy: -144.336 bonds (distance) P-C4' energy: -126.498 flat angles C4'-P-C4' energy: -149.802 flat angles P-C4'-P energy: -103.002 tors. eta vs tors. theta energy: -97.314 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: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1244.629106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.629106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.629106 (E_RNA) where: Base-Base interactions energy: -677.649 where: short stacking energy: -346.847 Base-Backbone interact. energy: 1.726 local terms energy: -568.706115 where: bonds (distance) C4'-P energy: -142.554 bonds (distance) P-C4' energy: -154.065 flat angles C4'-P-C4' energy: -135.774 flat angles P-C4'-P energy: -92.443 tors. eta vs tors. theta energy: -43.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -971.987685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.987685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.987685 (E_RNA) where: Base-Base interactions energy: -451.460 where: short stacking energy: -272.916 Base-Backbone interact. energy: -0.225 local terms energy: -520.302560 where: bonds (distance) C4'-P energy: -154.233 bonds (distance) P-C4' energy: -169.201 flat angles C4'-P-C4' energy: -127.133 flat angles P-C4'-P energy: -80.027 tors. eta vs tors. theta energy: 10.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -709.600204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.600204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.600204 (E_RNA) where: Base-Base interactions energy: -286.542 where: short stacking energy: -204.523 Base-Backbone interact. energy: 2.230 local terms energy: -425.288205 where: bonds (distance) C4'-P energy: -146.822 bonds (distance) P-C4' energy: -151.542 flat angles C4'-P-C4' energy: -116.878 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: 49.809 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: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3138.237451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.237451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.237451 (E_RNA) where: Base-Base interactions energy: -2164.750 where: short stacking energy: -935.865 Base-Backbone interact. energy: -5.625 local terms energy: -967.862710 where: bonds (distance) C4'-P energy: -180.887 bonds (distance) P-C4' energy: -176.808 flat angles C4'-P-C4' energy: -204.725 flat angles P-C4'-P energy: -136.309 tors. eta vs tors. theta energy: -269.135 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: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -3001.511453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.511453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.511453 (E_RNA) where: Base-Base interactions energy: -2064.570 where: short stacking energy: -886.263 Base-Backbone interact. energy: -4.395 local terms energy: -932.547283 where: bonds (distance) C4'-P energy: -176.649 bonds (distance) P-C4' energy: -160.212 flat angles C4'-P-C4' energy: -211.678 flat angles P-C4'-P energy: -133.390 tors. eta vs tors. theta energy: -250.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2748.101043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.101043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.101043 (E_RNA) where: Base-Base interactions energy: -1861.283 where: short stacking energy: -809.925 Base-Backbone interact. energy: 0.083 local terms energy: -886.901817 where: bonds (distance) C4'-P energy: -166.806 bonds (distance) P-C4' energy: -169.180 flat angles C4'-P-C4' energy: -203.415 flat angles P-C4'-P energy: -119.347 tors. eta vs tors. theta energy: -228.154 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: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2477.861968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.861968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.861968 (E_RNA) where: Base-Base interactions energy: -1629.217 where: short stacking energy: -743.919 Base-Backbone interact. energy: 10.297 local terms energy: -858.941423 where: bonds (distance) C4'-P energy: -162.631 bonds (distance) P-C4' energy: -173.093 flat angles C4'-P-C4' energy: -192.419 flat angles P-C4'-P energy: -118.643 tors. eta vs tors. theta energy: -212.156 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: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2269.324762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.324762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.324762 (E_RNA) where: Base-Base interactions energy: -1437.781 where: short stacking energy: -662.657 Base-Backbone interact. energy: -3.308 local terms energy: -828.235804 where: bonds (distance) C4'-P energy: -163.683 bonds (distance) P-C4' energy: -181.612 flat angles C4'-P-C4' energy: -177.101 flat angles P-C4'-P energy: -119.305 tors. eta vs tors. theta energy: -186.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2011.370452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.370452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.370452 (E_RNA) where: Base-Base interactions energy: -1266.209 where: short stacking energy: -602.336 Base-Backbone interact. energy: -1.695 local terms energy: -743.466373 where: bonds (distance) C4'-P energy: -158.152 bonds (distance) P-C4' energy: -164.625 flat angles C4'-P-C4' energy: -184.819 flat angles P-C4'-P energy: -104.247 tors. eta vs tors. theta energy: -131.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1709.154713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.154713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.154713 (E_RNA) where: Base-Base interactions energy: -1073.776 where: short stacking energy: -465.485 Base-Backbone interact. energy: -1.696 local terms energy: -633.682631 where: bonds (distance) C4'-P energy: -137.771 bonds (distance) P-C4' energy: -150.059 flat angles C4'-P-C4' energy: -142.938 flat angles P-C4'-P energy: -105.263 tors. eta vs tors. theta energy: -97.652 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: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1122.138825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.138825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.138825 (E_RNA) where: Base-Base interactions energy: -598.413 where: short stacking energy: -313.616 Base-Backbone interact. energy: -3.416 local terms energy: -520.310036 where: bonds (distance) C4'-P energy: -150.366 bonds (distance) P-C4' energy: -153.525 flat angles C4'-P-C4' energy: -138.151 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -9.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1085.998703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.998703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.998703 (E_RNA) where: Base-Base interactions energy: -554.408 where: short stacking energy: -292.540 Base-Backbone interact. energy: 1.745 local terms energy: -533.335735 where: bonds (distance) C4'-P energy: -127.699 bonds (distance) P-C4' energy: -178.020 flat angles C4'-P-C4' energy: -139.947 flat angles P-C4'-P energy: -84.059 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -847.388291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.388291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.388291 (E_RNA) where: Base-Base interactions energy: -379.647 where: short stacking energy: -232.604 Base-Backbone interact. energy: 5.613 local terms energy: -473.353646 where: bonds (distance) C4'-P energy: -134.369 bonds (distance) P-C4' energy: -125.182 flat angles C4'-P-C4' energy: -119.859 flat angles P-C4'-P energy: -101.414 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: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3103.357600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.357600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.357600 (E_RNA) where: Base-Base interactions energy: -2125.119 where: short stacking energy: -909.918 Base-Backbone interact. energy: 0.530 local terms energy: -978.768766 where: bonds (distance) C4'-P energy: -183.378 bonds (distance) P-C4' energy: -178.452 flat angles C4'-P-C4' energy: -217.899 flat angles P-C4'-P energy: -139.738 tors. eta vs tors. theta energy: -259.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2984.190439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.190439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.190439 (E_RNA) where: Base-Base interactions energy: -2060.286 where: short stacking energy: -864.783 Base-Backbone interact. energy: -0.663 local terms energy: -923.241118 where: bonds (distance) C4'-P energy: -164.870 bonds (distance) P-C4' energy: -176.394 flat angles C4'-P-C4' energy: -203.013 flat angles P-C4'-P energy: -141.789 tors. eta vs tors. theta energy: -237.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2837.778176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.778176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.778176 (E_RNA) where: Base-Base interactions energy: -1929.227 where: short stacking energy: -864.503 Base-Backbone interact. energy: -3.542 local terms energy: -905.008434 where: bonds (distance) C4'-P energy: -163.077 bonds (distance) P-C4' energy: -174.818 flat angles C4'-P-C4' energy: -196.650 flat angles P-C4'-P energy: -127.668 tors. eta vs tors. theta energy: -242.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2445.354811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.354811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.354811 (E_RNA) where: Base-Base interactions energy: -1600.693 where: short stacking energy: -711.916 Base-Backbone interact. energy: -0.901 local terms energy: -843.760747 where: bonds (distance) C4'-P energy: -164.730 bonds (distance) P-C4' energy: -166.655 flat angles C4'-P-C4' energy: -186.883 flat angles P-C4'-P energy: -111.593 tors. eta vs tors. theta energy: -213.900 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: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2281.283165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.283165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.283165 (E_RNA) where: Base-Base interactions energy: -1480.573 where: short stacking energy: -691.180 Base-Backbone interact. energy: 0.867 local terms energy: -801.577371 where: bonds (distance) C4'-P energy: -137.804 bonds (distance) P-C4' energy: -171.194 flat angles C4'-P-C4' energy: -171.442 flat angles P-C4'-P energy: -116.933 tors. eta vs tors. theta energy: -204.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1988.858387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.858387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.858387 (E_RNA) where: Base-Base interactions energy: -1287.168 where: short stacking energy: -561.556 Base-Backbone interact. energy: -1.073 local terms energy: -700.617266 where: bonds (distance) C4'-P energy: -155.106 bonds (distance) P-C4' energy: -149.234 flat angles C4'-P-C4' energy: -173.531 flat angles P-C4'-P energy: -95.951 tors. eta vs tors. theta energy: -126.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1764.395929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.395929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.395929 (E_RNA) where: Base-Base interactions energy: -1095.556 where: short stacking energy: -477.862 Base-Backbone interact. energy: 3.011 local terms energy: -671.850872 where: bonds (distance) C4'-P energy: -158.824 bonds (distance) P-C4' energy: -160.837 flat angles C4'-P-C4' energy: -165.137 flat angles P-C4'-P energy: -78.919 tors. eta vs tors. theta energy: -108.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1167.038101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.038101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.038101 (E_RNA) where: Base-Base interactions energy: -631.142 where: short stacking energy: -314.977 Base-Backbone interact. energy: 0.743 local terms energy: -536.639421 where: bonds (distance) C4'-P energy: -143.496 bonds (distance) P-C4' energy: -150.422 flat angles C4'-P-C4' energy: -156.429 flat angles P-C4'-P energy: -88.014 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: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1056.048589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.048589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.048589 (E_RNA) where: Base-Base interactions energy: -576.086 where: short stacking energy: -293.977 Base-Backbone interact. energy: -1.875 local terms energy: -478.087347 where: bonds (distance) C4'-P energy: -143.528 bonds (distance) P-C4' energy: -151.858 flat angles C4'-P-C4' energy: -117.006 flat angles P-C4'-P energy: -63.632 tors. eta vs tors. theta energy: -2.064 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: 260 Temperature: 1.350000 Total energy: -837.064753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.064753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.064753 (E_RNA) where: Base-Base interactions energy: -366.673 where: short stacking energy: -249.325 Base-Backbone interact. energy: -0.477 local terms energy: -469.914945 where: bonds (distance) C4'-P energy: -140.978 bonds (distance) P-C4' energy: -163.076 flat angles C4'-P-C4' energy: -117.187 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: 9.931 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: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3081.954533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.954533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.954533 (E_RNA) where: Base-Base interactions energy: -2112.926 where: short stacking energy: -899.511 Base-Backbone interact. energy: -5.590 local terms energy: -963.438498 where: bonds (distance) C4'-P energy: -189.266 bonds (distance) P-C4' energy: -177.129 flat angles C4'-P-C4' energy: -209.843 flat angles P-C4'-P energy: -138.466 tors. eta vs tors. theta energy: -248.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2994.709635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.709635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.709635 (E_RNA) where: Base-Base interactions energy: -2037.277 where: short stacking energy: -831.538 Base-Backbone interact. energy: -4.475 local terms energy: -952.956987 where: bonds (distance) C4'-P energy: -181.753 bonds (distance) P-C4' energy: -194.508 flat angles C4'-P-C4' energy: -196.584 flat angles P-C4'-P energy: -135.565 tors. eta vs tors. theta energy: -244.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2809.776564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.776564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.776564 (E_RNA) where: Base-Base interactions energy: -1936.063 where: short stacking energy: -817.947 Base-Backbone interact. energy: -3.196 local terms energy: -870.518342 where: bonds (distance) C4'-P energy: -171.959 bonds (distance) P-C4' energy: -156.998 flat angles C4'-P-C4' energy: -188.413 flat angles P-C4'-P energy: -126.016 tors. eta vs tors. theta energy: -227.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2482.308734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.308734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.308734 (E_RNA) where: Base-Base interactions energy: -1646.115 where: short stacking energy: -745.763 Base-Backbone interact. energy: -2.985 local terms energy: -833.208458 where: bonds (distance) C4'-P energy: -164.150 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -192.968 flat angles P-C4'-P energy: -102.574 tors. eta vs tors. theta energy: -223.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2243.929842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.929842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.929842 (E_RNA) where: Base-Base interactions energy: -1452.064 where: short stacking energy: -677.248 Base-Backbone interact. energy: -4.797 local terms energy: -787.068882 where: bonds (distance) C4'-P energy: -156.012 bonds (distance) P-C4' energy: -164.925 flat angles C4'-P-C4' energy: -179.220 flat angles P-C4'-P energy: -109.520 tors. eta vs tors. theta energy: -177.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1961.876945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.876945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.876945 (E_RNA) where: Base-Base interactions energy: -1275.004 where: short stacking energy: -573.764 Base-Backbone interact. energy: -3.903 local terms energy: -682.969612 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -152.731 flat angles C4'-P-C4' energy: -166.759 flat angles P-C4'-P energy: -110.510 tors. eta vs tors. theta energy: -125.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1750.710993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.710993 (E_RNA) where: Base-Base interactions energy: -1090.134 where: short stacking energy: -461.209 Base-Backbone interact. energy: 2.109 local terms energy: -662.686109 where: bonds (distance) C4'-P energy: -150.427 bonds (distance) P-C4' energy: -156.245 flat angles C4'-P-C4' energy: -149.764 flat angles P-C4'-P energy: -105.578 tors. eta vs tors. theta energy: -100.672 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: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1092.291150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.291150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.291150 (E_RNA) where: Base-Base interactions energy: -577.450 where: short stacking energy: -303.424 Base-Backbone interact. energy: 0.418 local terms energy: -515.259427 where: bonds (distance) C4'-P energy: -155.159 bonds (distance) P-C4' energy: -172.011 flat angles C4'-P-C4' energy: -126.087 flat angles P-C4'-P energy: -75.356 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: 9, replica: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1069.564034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.564034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.564034 (E_RNA) where: Base-Base interactions energy: -554.905 where: short stacking energy: -301.718 Base-Backbone interact. energy: -2.521 local terms energy: -512.137857 where: bonds (distance) C4'-P energy: -129.024 bonds (distance) P-C4' energy: -159.280 flat angles C4'-P-C4' energy: -132.305 flat angles P-C4'-P energy: -88.429 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -757.683824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.683824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.683824 (E_RNA) where: Base-Base interactions energy: -294.403 where: short stacking energy: -185.749 Base-Backbone interact. energy: -1.248 local terms energy: -462.032891 where: bonds (distance) C4'-P energy: -141.058 bonds (distance) P-C4' energy: -141.369 flat angles C4'-P-C4' energy: -119.404 flat angles P-C4'-P energy: -82.001 tors. eta vs tors. theta energy: 21.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3080.412409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.412409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.412409 (E_RNA) where: Base-Base interactions energy: -2081.159 where: short stacking energy: -902.867 Base-Backbone interact. energy: 4.251 local terms energy: -1003.504217 where: bonds (distance) C4'-P energy: -186.782 bonds (distance) P-C4' energy: -186.942 flat angles C4'-P-C4' energy: -212.371 flat angles P-C4'-P energy: -146.909 tors. eta vs tors. theta energy: -270.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2973.804867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.804867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.804867 (E_RNA) where: Base-Base interactions energy: -2057.064 where: short stacking energy: -877.331 Base-Backbone interact. energy: 0.268 local terms energy: -917.009007 where: bonds (distance) C4'-P energy: -180.251 bonds (distance) P-C4' energy: -175.941 flat angles C4'-P-C4' energy: -195.798 flat angles P-C4'-P energy: -121.804 tors. eta vs tors. theta energy: -243.215 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: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2792.461584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.461584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.461584 (E_RNA) where: Base-Base interactions energy: -1871.348 where: short stacking energy: -789.930 Base-Backbone interact. energy: -0.929 local terms energy: -920.185057 where: bonds (distance) C4'-P energy: -177.209 bonds (distance) P-C4' energy: -169.266 flat angles C4'-P-C4' energy: -202.512 flat angles P-C4'-P energy: -144.006 tors. eta vs tors. theta energy: -227.192 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: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2435.521598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.521598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.521598 (E_RNA) where: Base-Base interactions energy: -1604.011 where: short stacking energy: -723.882 Base-Backbone interact. energy: -3.811 local terms energy: -827.699759 where: bonds (distance) C4'-P energy: -167.703 bonds (distance) P-C4' energy: -150.822 flat angles C4'-P-C4' energy: -187.199 flat angles P-C4'-P energy: -108.846 tors. eta vs tors. theta energy: -213.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2276.961629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.961629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.961629 (E_RNA) where: Base-Base interactions energy: -1465.247 where: short stacking energy: -705.916 Base-Backbone interact. energy: -0.442 local terms energy: -811.271859 where: bonds (distance) C4'-P energy: -164.342 bonds (distance) P-C4' energy: -166.340 flat angles C4'-P-C4' energy: -183.259 flat angles P-C4'-P energy: -105.790 tors. eta vs tors. theta energy: -191.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1932.152050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.152050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.152050 (E_RNA) where: Base-Base interactions energy: -1194.240 where: short stacking energy: -543.923 Base-Backbone interact. energy: -0.845 local terms energy: -737.066790 where: bonds (distance) C4'-P energy: -166.167 bonds (distance) P-C4' energy: -158.013 flat angles C4'-P-C4' energy: -159.419 flat angles P-C4'-P energy: -118.748 tors. eta vs tors. theta energy: -134.719 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: 262 Temperature: 1.200000 Total energy: -1721.836075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.836075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.836075 (E_RNA) where: Base-Base interactions energy: -1109.246 where: short stacking energy: -448.598 Base-Backbone interact. energy: 3.941 local terms energy: -616.530603 where: bonds (distance) C4'-P energy: -135.739 bonds (distance) P-C4' energy: -176.035 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -86.281 tors. eta vs tors. theta energy: -74.051 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: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1118.072552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.072552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.072552 (E_RNA) where: Base-Base interactions energy: -572.438 where: short stacking energy: -312.521 Base-Backbone interact. energy: -1.541 local terms energy: -544.093517 where: bonds (distance) C4'-P energy: -153.870 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -136.180 flat angles P-C4'-P energy: -88.861 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: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1072.253409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.253409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.253409 (E_RNA) where: Base-Base interactions energy: -566.389 where: short stacking energy: -279.468 Base-Backbone interact. energy: 1.838 local terms energy: -507.701956 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -170.366 flat angles C4'-P-C4' energy: -131.886 flat angles P-C4'-P energy: -64.002 tors. eta vs tors. theta energy: 15.003 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: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -753.143845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.143845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.143845 (E_RNA) where: Base-Base interactions energy: -295.916 where: short stacking energy: -181.573 Base-Backbone interact. energy: -0.196 local terms energy: -457.032522 where: bonds (distance) C4'-P energy: -144.912 bonds (distance) P-C4' energy: -148.014 flat angles C4'-P-C4' energy: -101.886 flat angles P-C4'-P energy: -88.212 tors. eta vs tors. theta energy: 25.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3087.048036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.048036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.048036 (E_RNA) where: Base-Base interactions energy: -2122.054 where: short stacking energy: -913.568 Base-Backbone interact. energy: -0.139 local terms energy: -964.855260 where: bonds (distance) C4'-P energy: -182.272 bonds (distance) P-C4' energy: -191.028 flat angles C4'-P-C4' energy: -203.920 flat angles P-C4'-P energy: -131.659 tors. eta vs tors. theta energy: -255.976 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: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2978.178174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.178174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.178174 (E_RNA) where: Base-Base interactions energy: -2042.396 where: short stacking energy: -848.394 Base-Backbone interact. energy: -3.844 local terms energy: -931.938120 where: bonds (distance) C4'-P energy: -166.231 bonds (distance) P-C4' energy: -176.700 flat angles C4'-P-C4' energy: -209.596 flat angles P-C4'-P energy: -140.783 tors. eta vs tors. theta energy: -238.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2833.436477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.436477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.436477 (E_RNA) where: Base-Base interactions energy: -1934.497 where: short stacking energy: -831.342 Base-Backbone interact. energy: -0.998 local terms energy: -897.941696 where: bonds (distance) C4'-P energy: -165.650 bonds (distance) P-C4' energy: -181.666 flat angles C4'-P-C4' energy: -182.811 flat angles P-C4'-P energy: -129.902 tors. eta vs tors. theta energy: -237.912 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: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2495.914465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.914465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.914465 (E_RNA) where: Base-Base interactions energy: -1656.265 where: short stacking energy: -739.648 Base-Backbone interact. energy: -1.600 local terms energy: -838.049433 where: bonds (distance) C4'-P energy: -170.485 bonds (distance) P-C4' energy: -164.390 flat angles C4'-P-C4' energy: -177.329 flat angles P-C4'-P energy: -121.894 tors. eta vs tors. theta energy: -203.951 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2282.703517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.703517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.703517 (E_RNA) where: Base-Base interactions energy: -1491.396 where: short stacking energy: -694.978 Base-Backbone interact. energy: 0.450 local terms energy: -791.757468 where: bonds (distance) C4'-P energy: -166.096 bonds (distance) P-C4' energy: -153.507 flat angles C4'-P-C4' energy: -177.724 flat angles P-C4'-P energy: -106.575 tors. eta vs tors. theta energy: -187.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1947.172633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.172633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.172633 (E_RNA) where: Base-Base interactions energy: -1203.145 where: short stacking energy: -583.498 Base-Backbone interact. energy: -5.194 local terms energy: -738.833533 where: bonds (distance) C4'-P energy: -144.045 bonds (distance) P-C4' energy: -169.355 flat angles C4'-P-C4' energy: -174.349 flat angles P-C4'-P energy: -108.694 tors. eta vs tors. theta energy: -142.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1758.458146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.458146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.458146 (E_RNA) where: Base-Base interactions energy: -1106.730 where: short stacking energy: -512.017 Base-Backbone interact. energy: -1.470 local terms energy: -650.257568 where: bonds (distance) C4'-P energy: -147.829 bonds (distance) P-C4' energy: -149.794 flat angles C4'-P-C4' energy: -154.911 flat angles P-C4'-P energy: -97.251 tors. eta vs tors. theta energy: -100.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1112.118633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.118633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.118633 (E_RNA) where: Base-Base interactions energy: -541.271 where: short stacking energy: -305.063 Base-Backbone interact. energy: 1.091 local terms energy: -571.938312 where: bonds (distance) C4'-P energy: -167.420 bonds (distance) P-C4' energy: -168.356 flat angles C4'-P-C4' energy: -134.255 flat angles P-C4'-P energy: -90.253 tors. eta vs tors. theta energy: -11.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1113.744127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.744127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.744127 (E_RNA) where: Base-Base interactions energy: -585.212 where: short stacking energy: -283.551 Base-Backbone interact. energy: 0.117 local terms energy: -528.648660 where: bonds (distance) C4'-P energy: -159.741 bonds (distance) P-C4' energy: -149.472 flat angles C4'-P-C4' energy: -134.964 flat angles P-C4'-P energy: -73.720 tors. eta vs tors. theta energy: -10.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -780.070428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.070428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.070428 (E_RNA) where: Base-Base interactions energy: -277.300 where: short stacking energy: -173.714 Base-Backbone interact. energy: 0.819 local terms energy: -503.589770 where: bonds (distance) C4'-P energy: -138.380 bonds (distance) P-C4' energy: -171.740 flat angles C4'-P-C4' energy: -130.124 flat angles P-C4'-P energy: -95.655 tors. eta vs tors. theta energy: 32.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3094.288189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.288189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.288189 (E_RNA) where: Base-Base interactions energy: -2118.757 where: short stacking energy: -904.804 Base-Backbone interact. energy: -4.966 local terms energy: -970.565687 where: bonds (distance) C4'-P energy: -183.544 bonds (distance) P-C4' energy: -191.147 flat angles C4'-P-C4' energy: -207.536 flat angles P-C4'-P energy: -125.003 tors. eta vs tors. theta energy: -263.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2968.451712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.451712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.451712 (E_RNA) where: Base-Base interactions energy: -2068.239 where: short stacking energy: -876.400 Base-Backbone interact. energy: 0.366 local terms energy: -900.578677 where: bonds (distance) C4'-P energy: -166.349 bonds (distance) P-C4' energy: -158.967 flat angles C4'-P-C4' energy: -193.081 flat angles P-C4'-P energy: -138.232 tors. eta vs tors. theta energy: -243.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2813.926553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.926553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.926553 (E_RNA) where: Base-Base interactions energy: -1897.866 where: short stacking energy: -817.341 Base-Backbone interact. energy: -4.105 local terms energy: -911.955402 where: bonds (distance) C4'-P energy: -179.540 bonds (distance) P-C4' energy: -191.723 flat angles C4'-P-C4' energy: -196.494 flat angles P-C4'-P energy: -109.717 tors. eta vs tors. theta energy: -234.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2473.479451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.479451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.479451 (E_RNA) where: Base-Base interactions energy: -1628.383 where: short stacking energy: -726.611 Base-Backbone interact. energy: -2.180 local terms energy: -842.916889 where: bonds (distance) C4'-P energy: -191.609 bonds (distance) P-C4' energy: -172.339 flat angles C4'-P-C4' energy: -165.570 flat angles P-C4'-P energy: -114.178 tors. eta vs tors. theta energy: -199.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2286.378593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.378593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.378593 (E_RNA) where: Base-Base interactions energy: -1471.117 where: short stacking energy: -680.869 Base-Backbone interact. energy: -1.171 local terms energy: -814.089951 where: bonds (distance) C4'-P energy: -165.757 bonds (distance) P-C4' energy: -161.596 flat angles C4'-P-C4' energy: -172.452 flat angles P-C4'-P energy: -120.857 tors. eta vs tors. theta energy: -193.428 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: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2001.356797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.356797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.356797 (E_RNA) where: Base-Base interactions energy: -1294.783 where: short stacking energy: -602.884 Base-Backbone interact. energy: 0.273 local terms energy: -706.846790 where: bonds (distance) C4'-P energy: -161.720 bonds (distance) P-C4' energy: -150.675 flat angles C4'-P-C4' energy: -158.710 flat angles P-C4'-P energy: -102.001 tors. eta vs tors. theta energy: -133.741 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: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1737.692753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.692753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.692753 (E_RNA) where: Base-Base interactions energy: -1096.632 where: short stacking energy: -488.028 Base-Backbone interact. energy: -3.179 local terms energy: -637.881894 where: bonds (distance) C4'-P energy: -165.940 bonds (distance) P-C4' energy: -140.926 flat angles C4'-P-C4' energy: -143.491 flat angles P-C4'-P energy: -90.753 tors. eta vs tors. theta energy: -96.771 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: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1160.479632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.479632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.479632 (E_RNA) where: Base-Base interactions energy: -600.744 where: short stacking energy: -328.778 Base-Backbone interact. energy: 4.912 local terms energy: -564.647876 where: bonds (distance) C4'-P energy: -152.811 bonds (distance) P-C4' energy: -179.337 flat angles C4'-P-C4' energy: -125.446 flat angles P-C4'-P energy: -97.956 tors. eta vs tors. theta energy: -9.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1137.672228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.672228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.672228 (E_RNA) where: Base-Base interactions energy: -573.543 where: short stacking energy: -291.246 Base-Backbone interact. energy: 1.815 local terms energy: -565.943854 where: bonds (distance) C4'-P energy: -156.432 bonds (distance) P-C4' energy: -138.793 flat angles C4'-P-C4' energy: -157.437 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -28.992 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: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -759.852287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.852287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.852287 (E_RNA) where: Base-Base interactions energy: -331.483 where: short stacking energy: -257.469 Base-Backbone interact. energy: -3.015 local terms energy: -425.354118 where: bonds (distance) C4'-P energy: -137.194 bonds (distance) P-C4' energy: -145.642 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -64.409 tors. eta vs tors. theta energy: 34.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3081.420628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.420628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.420628 (E_RNA) where: Base-Base interactions energy: -2111.826 where: short stacking energy: -902.767 Base-Backbone interact. energy: 3.269 local terms energy: -972.864281 where: bonds (distance) C4'-P energy: -168.612 bonds (distance) P-C4' energy: -190.097 flat angles C4'-P-C4' energy: -212.935 flat angles P-C4'-P energy: -139.879 tors. eta vs tors. theta energy: -261.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2988.175086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.175086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.175086 (E_RNA) where: Base-Base interactions energy: -2062.017 where: short stacking energy: -888.941 Base-Backbone interact. energy: 2.151 local terms energy: -928.308467 where: bonds (distance) C4'-P energy: -162.072 bonds (distance) P-C4' energy: -175.678 flat angles C4'-P-C4' energy: -228.633 flat angles P-C4'-P energy: -109.610 tors. eta vs tors. theta energy: -252.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2735.954116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.954116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.954116 (E_RNA) where: Base-Base interactions energy: -1853.360 where: short stacking energy: -816.532 Base-Backbone interact. energy: -0.293 local terms energy: -882.301504 where: bonds (distance) C4'-P energy: -156.746 bonds (distance) P-C4' energy: -181.136 flat angles C4'-P-C4' energy: -180.851 flat angles P-C4'-P energy: -135.081 tors. eta vs tors. theta energy: -228.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2542.612743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.612743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.612743 (E_RNA) where: Base-Base interactions energy: -1661.762 where: short stacking energy: -741.384 Base-Backbone interact. energy: 0.492 local terms energy: -881.342718 where: bonds (distance) C4'-P energy: -165.270 bonds (distance) P-C4' energy: -184.541 flat angles C4'-P-C4' energy: -195.129 flat angles P-C4'-P energy: -129.095 tors. eta vs tors. theta energy: -207.308 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: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2298.974294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.974294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.974294 (E_RNA) where: Base-Base interactions energy: -1473.661 where: short stacking energy: -687.373 Base-Backbone interact. energy: 0.558 local terms energy: -825.871223 where: bonds (distance) C4'-P energy: -165.224 bonds (distance) P-C4' energy: -162.898 flat angles C4'-P-C4' energy: -187.506 flat angles P-C4'-P energy: -126.669 tors. eta vs tors. theta energy: -183.575 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: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2068.050519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.050519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.050519 (E_RNA) where: Base-Base interactions energy: -1325.700 where: short stacking energy: -627.728 Base-Backbone interact. energy: -0.013 local terms energy: -742.337495 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -153.028 flat angles C4'-P-C4' energy: -185.569 flat angles P-C4'-P energy: -107.023 tors. eta vs tors. theta energy: -149.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1660.741520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.741520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.741520 (E_RNA) where: Base-Base interactions energy: -1047.592 where: short stacking energy: -450.793 Base-Backbone interact. energy: -2.706 local terms energy: -610.442888 where: bonds (distance) C4'-P energy: -142.388 bonds (distance) P-C4' energy: -148.505 flat angles C4'-P-C4' energy: -153.332 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -88.229 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: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1201.595134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.595134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.595134 (E_RNA) where: Base-Base interactions energy: -631.671 where: short stacking energy: -347.445 Base-Backbone interact. energy: -1.429 local terms energy: -568.495214 where: bonds (distance) C4'-P energy: -153.991 bonds (distance) P-C4' energy: -176.017 flat angles C4'-P-C4' energy: -148.550 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1061.924311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.924311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.924311 (E_RNA) where: Base-Base interactions energy: -545.451 where: short stacking energy: -284.080 Base-Backbone interact. energy: 1.253 local terms energy: -517.725454 where: bonds (distance) C4'-P energy: -128.110 bonds (distance) P-C4' energy: -154.431 flat angles C4'-P-C4' energy: -120.256 flat angles P-C4'-P energy: -85.795 tors. eta vs tors. theta energy: -29.134 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: 265 Temperature: 1.350000 Total energy: -723.306159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.306159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.306159 (E_RNA) where: Base-Base interactions energy: -265.741 where: short stacking energy: -179.430 Base-Backbone interact. energy: 6.271 local terms energy: -463.835772 where: bonds (distance) C4'-P energy: -131.004 bonds (distance) P-C4' energy: -159.770 flat angles C4'-P-C4' energy: -121.772 flat angles P-C4'-P energy: -83.716 tors. eta vs tors. theta energy: 32.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3079.368953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.368953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.368953 (E_RNA) where: Base-Base interactions energy: -2092.950 where: short stacking energy: -881.604 Base-Backbone interact. energy: -3.565 local terms energy: -982.853823 where: bonds (distance) C4'-P energy: -186.909 bonds (distance) P-C4' energy: -191.676 flat angles C4'-P-C4' energy: -206.261 flat angles P-C4'-P energy: -130.312 tors. eta vs tors. theta energy: -267.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2960.345751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.345751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.345751 (E_RNA) where: Base-Base interactions energy: -2054.776 where: short stacking energy: -854.329 Base-Backbone interact. energy: -1.197 local terms energy: -904.372604 where: bonds (distance) C4'-P energy: -172.779 bonds (distance) P-C4' energy: -182.744 flat angles C4'-P-C4' energy: -191.015 flat angles P-C4'-P energy: -119.469 tors. eta vs tors. theta energy: -238.366 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: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2774.510417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.510417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.510417 (E_RNA) where: Base-Base interactions energy: -1881.134 where: short stacking energy: -816.593 Base-Backbone interact. energy: -1.535 local terms energy: -891.841440 where: bonds (distance) C4'-P energy: -165.022 bonds (distance) P-C4' energy: -187.761 flat angles C4'-P-C4' energy: -194.245 flat angles P-C4'-P energy: -115.043 tors. eta vs tors. theta energy: -229.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2510.476960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.476960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.476960 (E_RNA) where: Base-Base interactions energy: -1677.277 where: short stacking energy: -760.814 Base-Backbone interact. energy: -3.246 local terms energy: -829.954414 where: bonds (distance) C4'-P energy: -160.113 bonds (distance) P-C4' energy: -174.311 flat angles C4'-P-C4' energy: -181.383 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -206.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2268.291817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.291817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.291817 (E_RNA) where: Base-Base interactions energy: -1440.634 where: short stacking energy: -675.073 Base-Backbone interact. energy: 0.310 local terms energy: -827.967629 where: bonds (distance) C4'-P energy: -169.905 bonds (distance) P-C4' energy: -173.892 flat angles C4'-P-C4' energy: -192.322 flat angles P-C4'-P energy: -114.303 tors. eta vs tors. theta energy: -177.545 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: 266 Temperature: 1.150000 Total energy: -2015.383201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.383201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.383201 (E_RNA) where: Base-Base interactions energy: -1293.418 where: short stacking energy: -584.056 Base-Backbone interact. energy: -3.424 local terms energy: -718.541589 where: bonds (distance) C4'-P energy: -146.235 bonds (distance) P-C4' energy: -160.331 flat angles C4'-P-C4' energy: -174.559 flat angles P-C4'-P energy: -87.419 tors. eta vs tors. theta energy: -149.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1751.150276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.150276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.150276 (E_RNA) where: Base-Base interactions energy: -1067.137 where: short stacking energy: -489.181 Base-Backbone interact. energy: 1.768 local terms energy: -685.781604 where: bonds (distance) C4'-P energy: -153.692 bonds (distance) P-C4' energy: -163.500 flat angles C4'-P-C4' energy: -171.505 flat angles P-C4'-P energy: -105.085 tors. eta vs tors. theta energy: -91.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1277.457355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.457355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.457355 (E_RNA) where: Base-Base interactions energy: -704.233 where: short stacking energy: -353.484 Base-Backbone interact. energy: -0.199 local terms energy: -573.025527 where: bonds (distance) C4'-P energy: -153.820 bonds (distance) P-C4' energy: -147.726 flat angles C4'-P-C4' energy: -152.434 flat angles P-C4'-P energy: -85.951 tors. eta vs tors. theta energy: -33.095 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: 266 Temperature: 1.300000 Total energy: -994.701343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.701343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.701343 (E_RNA) where: Base-Base interactions energy: -491.701 where: short stacking energy: -249.325 Base-Backbone interact. energy: 2.502 local terms energy: -505.502101 where: bonds (distance) C4'-P energy: -150.664 bonds (distance) P-C4' energy: -169.463 flat angles C4'-P-C4' energy: -126.754 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: 3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -795.621379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.621379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.621379 (E_RNA) where: Base-Base interactions energy: -328.814 where: short stacking energy: -237.566 Base-Backbone interact. energy: -0.253 local terms energy: -466.553827 where: bonds (distance) C4'-P energy: -144.722 bonds (distance) P-C4' energy: -150.943 flat angles C4'-P-C4' energy: -110.212 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: 13.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3100.950244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.950244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.950244 (E_RNA) where: Base-Base interactions energy: -2103.314 where: short stacking energy: -908.052 Base-Backbone interact. energy: 2.422 local terms energy: -1000.058283 where: bonds (distance) C4'-P energy: -187.470 bonds (distance) P-C4' energy: -191.617 flat angles C4'-P-C4' energy: -222.811 flat angles P-C4'-P energy: -129.076 tors. eta vs tors. theta energy: -269.085 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: 267 Temperature: 0.950000 Total energy: -2986.819149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.819149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.819149 (E_RNA) where: Base-Base interactions energy: -2068.987 where: short stacking energy: -862.865 Base-Backbone interact. energy: -4.885 local terms energy: -912.947019 where: bonds (distance) C4'-P energy: -168.003 bonds (distance) P-C4' energy: -176.771 flat angles C4'-P-C4' energy: -190.887 flat angles P-C4'-P energy: -123.697 tors. eta vs tors. theta energy: -253.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2762.695285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.695285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.695285 (E_RNA) where: Base-Base interactions energy: -1878.946 where: short stacking energy: -815.965 Base-Backbone interact. energy: -3.051 local terms energy: -880.698182 where: bonds (distance) C4'-P energy: -170.627 bonds (distance) P-C4' energy: -149.946 flat angles C4'-P-C4' energy: -204.026 flat angles P-C4'-P energy: -124.043 tors. eta vs tors. theta energy: -232.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2553.506036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.506036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.506036 (E_RNA) where: Base-Base interactions energy: -1705.961 where: short stacking energy: -755.767 Base-Backbone interact. energy: -1.823 local terms energy: -845.722203 where: bonds (distance) C4'-P energy: -164.119 bonds (distance) P-C4' energy: -170.526 flat angles C4'-P-C4' energy: -200.508 flat angles P-C4'-P energy: -111.733 tors. eta vs tors. theta energy: -198.836 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: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2316.208254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.208254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.208254 (E_RNA) where: Base-Base interactions energy: -1505.028 where: short stacking energy: -693.238 Base-Backbone interact. energy: -1.415 local terms energy: -809.765100 where: bonds (distance) C4'-P energy: -141.607 bonds (distance) P-C4' energy: -178.013 flat angles C4'-P-C4' energy: -171.143 flat angles P-C4'-P energy: -121.948 tors. eta vs tors. theta energy: -197.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2019.410079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.410079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.410079 (E_RNA) where: Base-Base interactions energy: -1274.002 where: short stacking energy: -603.897 Base-Backbone interact. energy: -3.878 local terms energy: -741.530530 where: bonds (distance) C4'-P energy: -152.003 bonds (distance) P-C4' energy: -173.999 flat angles C4'-P-C4' energy: -145.467 flat angles P-C4'-P energy: -117.111 tors. eta vs tors. theta energy: -152.951 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: 267 Temperature: 1.200000 Total energy: -1796.732973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.732973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.732973 (E_RNA) where: Base-Base interactions energy: -1111.086 where: short stacking energy: -486.957 Base-Backbone interact. energy: -0.598 local terms energy: -685.048954 where: bonds (distance) C4'-P energy: -162.918 bonds (distance) P-C4' energy: -171.959 flat angles C4'-P-C4' energy: -164.662 flat angles P-C4'-P energy: -87.217 tors. eta vs tors. theta energy: -98.294 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: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1298.823904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.823904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.823904 (E_RNA) where: Base-Base interactions energy: -700.030 where: short stacking energy: -362.389 Base-Backbone interact. energy: 3.802 local terms energy: -602.595589 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -166.900 flat angles C4'-P-C4' energy: -122.473 flat angles P-C4'-P energy: -113.132 tors. eta vs tors. theta energy: -50.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -983.291363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.291363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.291363 (E_RNA) where: Base-Base interactions energy: -492.439 where: short stacking energy: -271.689 Base-Backbone interact. energy: -0.567 local terms energy: -490.285452 where: bonds (distance) C4'-P energy: -154.969 bonds (distance) P-C4' energy: -159.305 flat angles C4'-P-C4' energy: -129.997 flat angles P-C4'-P energy: -65.346 tors. eta vs tors. theta energy: 19.332 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: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -723.895278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.895278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.895278 (E_RNA) where: Base-Base interactions energy: -280.253 where: short stacking energy: -209.927 Base-Backbone interact. energy: -3.229 local terms energy: -440.413204 where: bonds (distance) C4'-P energy: -123.313 bonds (distance) P-C4' energy: -166.106 flat angles C4'-P-C4' energy: -122.266 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: 35.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3109.334441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.334441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.334441 (E_RNA) where: Base-Base interactions energy: -2115.791 where: short stacking energy: -928.434 Base-Backbone interact. energy: 2.890 local terms energy: -996.434069 where: bonds (distance) C4'-P energy: -174.726 bonds (distance) P-C4' energy: -191.138 flat angles C4'-P-C4' energy: -209.234 flat angles P-C4'-P energy: -139.131 tors. eta vs tors. theta energy: -282.204 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: 268 Temperature: 0.950000 Total energy: -3003.475152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.475152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.475152 (E_RNA) where: Base-Base interactions energy: -2050.423 where: short stacking energy: -853.684 Base-Backbone interact. energy: 3.262 local terms energy: -956.314562 where: bonds (distance) C4'-P energy: -175.802 bonds (distance) P-C4' energy: -197.354 flat angles C4'-P-C4' energy: -202.480 flat angles P-C4'-P energy: -135.683 tors. eta vs tors. theta energy: -244.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2762.275401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.275401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.275401 (E_RNA) where: Base-Base interactions energy: -1890.457 where: short stacking energy: -821.485 Base-Backbone interact. energy: -1.250 local terms energy: -870.567930 where: bonds (distance) C4'-P energy: -165.403 bonds (distance) P-C4' energy: -166.630 flat angles C4'-P-C4' energy: -192.673 flat angles P-C4'-P energy: -109.806 tors. eta vs tors. theta energy: -236.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2539.022696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.022696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.022696 (E_RNA) where: Base-Base interactions energy: -1714.360 where: short stacking energy: -750.691 Base-Backbone interact. energy: -4.903 local terms energy: -819.760572 where: bonds (distance) C4'-P energy: -154.470 bonds (distance) P-C4' energy: -172.474 flat angles C4'-P-C4' energy: -165.788 flat angles P-C4'-P energy: -117.772 tors. eta vs tors. theta energy: -209.256 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: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2260.806549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.806549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.806549 (E_RNA) where: Base-Base interactions energy: -1478.078 where: short stacking energy: -658.296 Base-Backbone interact. energy: 0.146 local terms energy: -782.874808 where: bonds (distance) C4'-P energy: -163.626 bonds (distance) P-C4' energy: -158.585 flat angles C4'-P-C4' energy: -186.465 flat angles P-C4'-P energy: -102.927 tors. eta vs tors. theta energy: -171.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2038.936865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.936865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.936865 (E_RNA) where: Base-Base interactions energy: -1328.159 where: short stacking energy: -624.722 Base-Backbone interact. energy: -0.670 local terms energy: -710.107903 where: bonds (distance) C4'-P energy: -148.038 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -161.960 flat angles P-C4'-P energy: -118.259 tors. eta vs tors. theta energy: -150.123 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: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1704.017593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.017593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.017593 (E_RNA) where: Base-Base interactions energy: -1066.905 where: short stacking energy: -468.944 Base-Backbone interact. energy: -3.508 local terms energy: -633.604562 where: bonds (distance) C4'-P energy: -152.651 bonds (distance) P-C4' energy: -159.191 flat angles C4'-P-C4' energy: -156.718 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -80.088 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1244.715635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.715635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.715635 (E_RNA) where: Base-Base interactions energy: -672.364 where: short stacking energy: -362.963 Base-Backbone interact. energy: -1.246 local terms energy: -571.106429 where: bonds (distance) C4'-P energy: -144.424 bonds (distance) P-C4' energy: -152.300 flat angles C4'-P-C4' energy: -149.207 flat angles P-C4'-P energy: -89.630 tors. eta vs tors. theta energy: -35.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -896.015568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.015568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.015568 (E_RNA) where: Base-Base interactions energy: -427.803 where: short stacking energy: -238.498 Base-Backbone interact. energy: 15.735 local terms energy: -483.947833 where: bonds (distance) C4'-P energy: -162.154 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -143.824 flat angles P-C4'-P energy: -61.756 tors. eta vs tors. theta energy: 37.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -704.074797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.074797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.074797 (E_RNA) where: Base-Base interactions energy: -273.273 where: short stacking energy: -202.844 Base-Backbone interact. energy: -0.440 local terms energy: -430.362433 where: bonds (distance) C4'-P energy: -155.771 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -112.383 flat angles P-C4'-P energy: -53.286 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: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3087.067089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.067089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.067089 (E_RNA) where: Base-Base interactions energy: -2100.880 where: short stacking energy: -930.856 Base-Backbone interact. energy: -4.439 local terms energy: -981.748006 where: bonds (distance) C4'-P energy: -193.584 bonds (distance) P-C4' energy: -183.795 flat angles C4'-P-C4' energy: -199.818 flat angles P-C4'-P energy: -134.674 tors. eta vs tors. theta energy: -269.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2970.458351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.458351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.458351 (E_RNA) where: Base-Base interactions energy: -2060.824 where: short stacking energy: -855.260 Base-Backbone interact. energy: -4.149 local terms energy: -905.485513 where: bonds (distance) C4'-P energy: -167.724 bonds (distance) P-C4' energy: -182.928 flat angles C4'-P-C4' energy: -183.806 flat angles P-C4'-P energy: -137.656 tors. eta vs tors. theta energy: -233.370 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: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2768.954668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.954668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.954668 (E_RNA) where: Base-Base interactions energy: -1893.460 where: short stacking energy: -826.059 Base-Backbone interact. energy: -2.515 local terms energy: -872.979750 where: bonds (distance) C4'-P energy: -146.539 bonds (distance) P-C4' energy: -164.692 flat angles C4'-P-C4' energy: -196.084 flat angles P-C4'-P energy: -132.066 tors. eta vs tors. theta energy: -233.599 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: 4, replica: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2542.168770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.168770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.168770 (E_RNA) where: Base-Base interactions energy: -1716.664 where: short stacking energy: -757.474 Base-Backbone interact. energy: 1.220 local terms energy: -826.724927 where: bonds (distance) C4'-P energy: -160.823 bonds (distance) P-C4' energy: -165.583 flat angles C4'-P-C4' energy: -189.399 flat angles P-C4'-P energy: -112.039 tors. eta vs tors. theta energy: -198.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2270.236185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.236185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.236185 (E_RNA) where: Base-Base interactions energy: -1462.006 where: short stacking energy: -668.934 Base-Backbone interact. energy: -2.510 local terms energy: -805.719761 where: bonds (distance) C4'-P energy: -158.248 bonds (distance) P-C4' energy: -178.523 flat angles C4'-P-C4' energy: -177.698 flat angles P-C4'-P energy: -93.322 tors. eta vs tors. theta energy: -197.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2058.163361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.163361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.163361 (E_RNA) where: Base-Base interactions energy: -1268.244 where: short stacking energy: -588.451 Base-Backbone interact. energy: -4.297 local terms energy: -785.622545 where: bonds (distance) C4'-P energy: -179.873 bonds (distance) P-C4' energy: -166.160 flat angles C4'-P-C4' energy: -178.497 flat angles P-C4'-P energy: -110.218 tors. eta vs tors. theta energy: -150.875 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: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1751.584603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.584603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.584603 (E_RNA) where: Base-Base interactions energy: -1101.707 where: short stacking energy: -489.825 Base-Backbone interact. energy: -2.816 local terms energy: -647.061859 where: bonds (distance) C4'-P energy: -136.292 bonds (distance) P-C4' energy: -165.194 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -102.944 tors. eta vs tors. theta energy: -94.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1269.753374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.753374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.753374 (E_RNA) where: Base-Base interactions energy: -687.331 where: short stacking energy: -379.261 Base-Backbone interact. energy: 1.940 local terms energy: -584.362221 where: bonds (distance) C4'-P energy: -138.603 bonds (distance) P-C4' energy: -160.438 flat angles C4'-P-C4' energy: -146.797 flat angles P-C4'-P energy: -87.007 tors. eta vs tors. theta energy: -51.517 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: 269 Temperature: 1.300000 Total energy: -934.017460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.017460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.017460 (E_RNA) where: Base-Base interactions energy: -454.411 where: short stacking energy: -246.014 Base-Backbone interact. energy: 1.046 local terms energy: -480.652754 where: bonds (distance) C4'-P energy: -138.182 bonds (distance) P-C4' energy: -144.225 flat angles C4'-P-C4' energy: -132.668 flat angles P-C4'-P energy: -83.979 tors. eta vs tors. theta energy: 18.402 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: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -733.718923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.718923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.718923 (E_RNA) where: Base-Base interactions energy: -311.412 where: short stacking energy: -189.383 Base-Backbone interact. energy: 2.717 local terms energy: -425.023204 where: bonds (distance) C4'-P energy: -153.141 bonds (distance) P-C4' energy: -128.313 flat angles C4'-P-C4' energy: -127.947 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: 42.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3116.833645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.833645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.833645 (E_RNA) where: Base-Base interactions energy: -2116.343 where: short stacking energy: -931.728 Base-Backbone interact. energy: -5.569 local terms energy: -994.921521 where: bonds (distance) C4'-P energy: -177.093 bonds (distance) P-C4' energy: -201.099 flat angles C4'-P-C4' energy: -217.598 flat angles P-C4'-P energy: -133.204 tors. eta vs tors. theta energy: -265.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2931.932245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.932245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.932245 (E_RNA) where: Base-Base interactions energy: -1993.593 where: short stacking energy: -848.963 Base-Backbone interact. energy: -1.893 local terms energy: -936.446412 where: bonds (distance) C4'-P energy: -172.479 bonds (distance) P-C4' energy: -185.580 flat angles C4'-P-C4' energy: -191.083 flat angles P-C4'-P energy: -150.977 tors. eta vs tors. theta energy: -236.327 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: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2776.266084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.266084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.266084 (E_RNA) where: Base-Base interactions energy: -1904.103 where: short stacking energy: -827.839 Base-Backbone interact. energy: -0.623 local terms energy: -871.539115 where: bonds (distance) C4'-P energy: -164.438 bonds (distance) P-C4' energy: -176.448 flat angles C4'-P-C4' energy: -198.484 flat angles P-C4'-P energy: -111.623 tors. eta vs tors. theta energy: -220.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2588.255483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.255483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.255483 (E_RNA) where: Base-Base interactions energy: -1717.143 where: short stacking energy: -754.147 Base-Backbone interact. energy: -1.818 local terms energy: -869.294330 where: bonds (distance) C4'-P energy: -152.632 bonds (distance) P-C4' energy: -187.393 flat angles C4'-P-C4' energy: -195.285 flat angles P-C4'-P energy: -113.963 tors. eta vs tors. theta energy: -220.022 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: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2262.917060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.917060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.917060 (E_RNA) where: Base-Base interactions energy: -1458.760 where: short stacking energy: -680.439 Base-Backbone interact. energy: 2.004 local terms energy: -806.160973 where: bonds (distance) C4'-P energy: -172.886 bonds (distance) P-C4' energy: -137.303 flat angles C4'-P-C4' energy: -193.719 flat angles P-C4'-P energy: -124.514 tors. eta vs tors. theta energy: -177.739 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: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2044.949099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.949099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.949099 (E_RNA) where: Base-Base interactions energy: -1286.578 where: short stacking energy: -626.255 Base-Backbone interact. energy: -1.620 local terms energy: -756.751018 where: bonds (distance) C4'-P energy: -135.682 bonds (distance) P-C4' energy: -160.352 flat angles C4'-P-C4' energy: -184.802 flat angles P-C4'-P energy: -112.176 tors. eta vs tors. theta energy: -163.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1692.949792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.949792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.949792 (E_RNA) where: Base-Base interactions energy: -1046.156 where: short stacking energy: -463.340 Base-Backbone interact. energy: 0.432 local terms energy: -647.226083 where: bonds (distance) C4'-P energy: -155.443 bonds (distance) P-C4' energy: -161.675 flat angles C4'-P-C4' energy: -145.440 flat angles P-C4'-P energy: -98.643 tors. eta vs tors. theta energy: -86.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1292.550334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.550334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.550334 (E_RNA) where: Base-Base interactions energy: -724.168 where: short stacking energy: -377.331 Base-Backbone interact. energy: 1.879 local terms energy: -570.261640 where: bonds (distance) C4'-P energy: -147.012 bonds (distance) P-C4' energy: -146.890 flat angles C4'-P-C4' energy: -161.750 flat angles P-C4'-P energy: -95.961 tors. eta vs tors. theta energy: -18.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -949.743049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.743049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.743049 (E_RNA) where: Base-Base interactions energy: -469.345 where: short stacking energy: -265.197 Base-Backbone interact. energy: 7.351 local terms energy: -487.748671 where: bonds (distance) C4'-P energy: -126.677 bonds (distance) P-C4' energy: -162.301 flat angles C4'-P-C4' energy: -141.436 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: 8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -769.362715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.362715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.362715 (E_RNA) where: Base-Base interactions energy: -340.719 where: short stacking energy: -197.349 Base-Backbone interact. energy: -1.539 local terms energy: -427.104444 where: bonds (distance) C4'-P energy: -130.135 bonds (distance) P-C4' energy: -147.120 flat angles C4'-P-C4' energy: -114.198 flat angles P-C4'-P energy: -70.055 tors. eta vs tors. theta energy: 34.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3102.832276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.832276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.832276 (E_RNA) where: Base-Base interactions energy: -2100.062 where: short stacking energy: -912.890 Base-Backbone interact. energy: -2.942 local terms energy: -999.827569 where: bonds (distance) C4'-P energy: -175.517 bonds (distance) P-C4' energy: -206.956 flat angles C4'-P-C4' energy: -209.723 flat angles P-C4'-P energy: -132.638 tors. eta vs tors. theta energy: -274.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2974.271585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.271585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.271585 (E_RNA) where: Base-Base interactions energy: -2047.818 where: short stacking energy: -858.616 Base-Backbone interact. energy: -0.513 local terms energy: -925.939878 where: bonds (distance) C4'-P energy: -176.748 bonds (distance) P-C4' energy: -168.594 flat angles C4'-P-C4' energy: -202.256 flat angles P-C4'-P energy: -139.028 tors. eta vs tors. theta energy: -239.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2810.690206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.690206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.690206 (E_RNA) where: Base-Base interactions energy: -1922.913 where: short stacking energy: -825.542 Base-Backbone interact. energy: -2.227 local terms energy: -885.550637 where: bonds (distance) C4'-P energy: -159.982 bonds (distance) P-C4' energy: -182.990 flat angles C4'-P-C4' energy: -187.905 flat angles P-C4'-P energy: -123.639 tors. eta vs tors. theta energy: -231.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2515.051633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.051633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.051633 (E_RNA) where: Base-Base interactions energy: -1701.149 where: short stacking energy: -713.187 Base-Backbone interact. energy: 1.539 local terms energy: -815.442140 where: bonds (distance) C4'-P energy: -167.628 bonds (distance) P-C4' energy: -163.448 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -107.654 tors. eta vs tors. theta energy: -194.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2354.547431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.547431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.547431 (E_RNA) where: Base-Base interactions energy: -1540.663 where: short stacking energy: -701.637 Base-Backbone interact. energy: -4.178 local terms energy: -809.706474 where: bonds (distance) C4'-P energy: -175.471 bonds (distance) P-C4' energy: -152.329 flat angles C4'-P-C4' energy: -171.464 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -201.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1945.060653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.060653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.060653 (E_RNA) where: Base-Base interactions energy: -1226.297 where: short stacking energy: -576.158 Base-Backbone interact. energy: 4.532 local terms energy: -723.294876 where: bonds (distance) C4'-P energy: -168.164 bonds (distance) P-C4' energy: -162.264 flat angles C4'-P-C4' energy: -160.837 flat angles P-C4'-P energy: -104.267 tors. eta vs tors. theta energy: -127.763 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: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1711.891892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.891892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.891892 (E_RNA) where: Base-Base interactions energy: -1052.775 where: short stacking energy: -493.471 Base-Backbone interact. energy: 0.245 local terms energy: -659.361082 where: bonds (distance) C4'-P energy: -156.320 bonds (distance) P-C4' energy: -150.094 flat angles C4'-P-C4' energy: -149.069 flat angles P-C4'-P energy: -102.567 tors. eta vs tors. theta energy: -101.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1225.972503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.972503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.972503 (E_RNA) where: Base-Base interactions energy: -665.491 where: short stacking energy: -348.890 Base-Backbone interact. energy: 2.825 local terms energy: -563.305674 where: bonds (distance) C4'-P energy: -121.376 bonds (distance) P-C4' energy: -167.748 flat angles C4'-P-C4' energy: -169.451 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -27.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1030.381001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.381001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.381001 (E_RNA) where: Base-Base interactions energy: -486.985 where: short stacking energy: -288.261 Base-Backbone interact. energy: -3.271 local terms energy: -540.124691 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -152.023 flat angles C4'-P-C4' energy: -141.200 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -716.116456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.116456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.116456 (E_RNA) where: Base-Base interactions energy: -308.922 where: short stacking energy: -191.375 Base-Backbone interact. energy: -2.319 local terms energy: -404.875546 where: bonds (distance) C4'-P energy: -122.631 bonds (distance) P-C4' energy: -155.830 flat angles C4'-P-C4' energy: -125.879 flat angles P-C4'-P energy: -69.505 tors. eta vs tors. theta energy: 68.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3147.651364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.651364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.651364 (E_RNA) where: Base-Base interactions energy: -2165.911 where: short stacking energy: -937.695 Base-Backbone interact. energy: -4.503 local terms energy: -977.237780 where: bonds (distance) C4'-P energy: -183.622 bonds (distance) P-C4' energy: -164.075 flat angles C4'-P-C4' energy: -206.682 flat angles P-C4'-P energy: -137.126 tors. eta vs tors. theta energy: -285.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2946.318759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.318759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.318759 (E_RNA) where: Base-Base interactions energy: -2013.497 where: short stacking energy: -865.937 Base-Backbone interact. energy: -1.968 local terms energy: -930.853234 where: bonds (distance) C4'-P energy: -161.234 bonds (distance) P-C4' energy: -185.408 flat angles C4'-P-C4' energy: -201.146 flat angles P-C4'-P energy: -138.087 tors. eta vs tors. theta energy: -244.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2869.337468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.337468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.337468 (E_RNA) where: Base-Base interactions energy: -1994.830 where: short stacking energy: -850.500 Base-Backbone interact. energy: -3.102 local terms energy: -871.406057 where: bonds (distance) C4'-P energy: -158.668 bonds (distance) P-C4' energy: -160.795 flat angles C4'-P-C4' energy: -187.731 flat angles P-C4'-P energy: -123.573 tors. eta vs tors. theta energy: -240.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2526.753967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.753967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.753967 (E_RNA) where: Base-Base interactions energy: -1698.383 where: short stacking energy: -717.252 Base-Backbone interact. energy: -2.756 local terms energy: -825.615010 where: bonds (distance) C4'-P energy: -175.609 bonds (distance) P-C4' energy: -172.853 flat angles C4'-P-C4' energy: -173.907 flat angles P-C4'-P energy: -111.087 tors. eta vs tors. theta energy: -192.158 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: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2336.726953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.726953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.726953 (E_RNA) where: Base-Base interactions energy: -1535.013 where: short stacking energy: -691.800 Base-Backbone interact. energy: -5.522 local terms energy: -796.191556 where: bonds (distance) C4'-P energy: -163.763 bonds (distance) P-C4' energy: -158.046 flat angles C4'-P-C4' energy: -168.701 flat angles P-C4'-P energy: -109.052 tors. eta vs tors. theta energy: -196.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2011.203866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.203866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.203866 (E_RNA) where: Base-Base interactions energy: -1282.425 where: short stacking energy: -609.930 Base-Backbone interact. energy: 2.376 local terms energy: -731.154849 where: bonds (distance) C4'-P energy: -133.087 bonds (distance) P-C4' energy: -152.000 flat angles C4'-P-C4' energy: -173.182 flat angles P-C4'-P energy: -116.065 tors. eta vs tors. theta energy: -156.821 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: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1616.343519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.343519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.343519 (E_RNA) where: Base-Base interactions energy: -1017.895 where: short stacking energy: -467.044 Base-Backbone interact. energy: -1.396 local terms energy: -597.052616 where: bonds (distance) C4'-P energy: -145.625 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -126.639 flat angles P-C4'-P energy: -93.683 tors. eta vs tors. theta energy: -91.643 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: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1372.189248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.189248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.189248 (E_RNA) where: Base-Base interactions energy: -775.652 where: short stacking energy: -375.974 Base-Backbone interact. energy: 0.640 local terms energy: -597.177663 where: bonds (distance) C4'-P energy: -159.268 bonds (distance) P-C4' energy: -159.255 flat angles C4'-P-C4' energy: -147.663 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -54.683 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: 272 Temperature: 1.300000 Total energy: -908.792385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.792385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.792385 (E_RNA) where: Base-Base interactions energy: -404.012 where: short stacking energy: -210.974 Base-Backbone interact. energy: -0.268 local terms energy: -504.512503 where: bonds (distance) C4'-P energy: -156.024 bonds (distance) P-C4' energy: -153.178 flat angles C4'-P-C4' energy: -147.026 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: 32.394 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: 272 Temperature: 1.350000 Total energy: -662.733419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.733419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.733419 (E_RNA) where: Base-Base interactions energy: -234.889 where: short stacking energy: -175.165 Base-Backbone interact. energy: 4.956 local terms energy: -432.800448 where: bonds (distance) C4'-P energy: -128.720 bonds (distance) P-C4' energy: -174.039 flat angles C4'-P-C4' energy: -121.734 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: 59.144 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: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3108.320653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.320653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.320653 (E_RNA) where: Base-Base interactions energy: -2124.749 where: short stacking energy: -935.022 Base-Backbone interact. energy: -2.802 local terms energy: -980.770382 where: bonds (distance) C4'-P energy: -192.350 bonds (distance) P-C4' energy: -173.910 flat angles C4'-P-C4' energy: -207.127 flat angles P-C4'-P energy: -134.776 tors. eta vs tors. theta energy: -272.608 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: 273 Temperature: 0.950000 Total energy: -2954.780056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.780056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.780056 (E_RNA) where: Base-Base interactions energy: -2025.928 where: short stacking energy: -831.172 Base-Backbone interact. energy: -2.406 local terms energy: -926.446119 where: bonds (distance) C4'-P energy: -173.306 bonds (distance) P-C4' energy: -190.293 flat angles C4'-P-C4' energy: -205.038 flat angles P-C4'-P energy: -126.186 tors. eta vs tors. theta energy: -231.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2816.393195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.393195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.393195 (E_RNA) where: Base-Base interactions energy: -1935.222 where: short stacking energy: -822.365 Base-Backbone interact. energy: 0.552 local terms energy: -881.723169 where: bonds (distance) C4'-P energy: -156.934 bonds (distance) P-C4' energy: -168.363 flat angles C4'-P-C4' energy: -202.599 flat angles P-C4'-P energy: -109.356 tors. eta vs tors. theta energy: -244.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2544.936847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.936847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.936847 (E_RNA) where: Base-Base interactions energy: -1719.724 where: short stacking energy: -784.328 Base-Backbone interact. energy: 4.562 local terms energy: -829.775156 where: bonds (distance) C4'-P energy: -149.471 bonds (distance) P-C4' energy: -151.802 flat angles C4'-P-C4' energy: -174.132 flat angles P-C4'-P energy: -124.070 tors. eta vs tors. theta energy: -230.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2456.461971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.461971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.461971 (E_RNA) where: Base-Base interactions energy: -1614.674 where: short stacking energy: -746.707 Base-Backbone interact. energy: -2.791 local terms energy: -838.997446 where: bonds (distance) C4'-P energy: -161.219 bonds (distance) P-C4' energy: -156.193 flat angles C4'-P-C4' energy: -184.237 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -224.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2032.675469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.675469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.675469 (E_RNA) where: Base-Base interactions energy: -1307.288 where: short stacking energy: -578.436 Base-Backbone interact. energy: 3.190 local terms energy: -728.577639 where: bonds (distance) C4'-P energy: -156.282 bonds (distance) P-C4' energy: -166.286 flat angles C4'-P-C4' energy: -171.281 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -140.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1590.042587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.042587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.042587 (E_RNA) where: Base-Base interactions energy: -944.755 where: short stacking energy: -434.091 Base-Backbone interact. energy: 5.043 local terms energy: -650.331128 where: bonds (distance) C4'-P energy: -156.530 bonds (distance) P-C4' energy: -177.854 flat angles C4'-P-C4' energy: -144.133 flat angles P-C4'-P energy: -87.632 tors. eta vs tors. theta energy: -84.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1330.453538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.453538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.453538 (E_RNA) where: Base-Base interactions energy: -781.327 where: short stacking energy: -352.750 Base-Backbone interact. energy: -3.182 local terms energy: -545.943763 where: bonds (distance) C4'-P energy: -131.270 bonds (distance) P-C4' energy: -154.039 flat angles C4'-P-C4' energy: -131.493 flat angles P-C4'-P energy: -84.227 tors. eta vs tors. theta energy: -44.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -902.747753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.747753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.747753 (E_RNA) where: Base-Base interactions energy: -433.737 where: short stacking energy: -251.725 Base-Backbone interact. energy: 3.412 local terms energy: -472.422842 where: bonds (distance) C4'-P energy: -145.253 bonds (distance) P-C4' energy: -140.503 flat angles C4'-P-C4' energy: -140.585 flat angles P-C4'-P energy: -74.665 tors. eta vs tors. theta energy: 28.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -687.462862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.462862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.462862 (E_RNA) where: Base-Base interactions energy: -223.892 where: short stacking energy: -185.239 Base-Backbone interact. energy: 2.295 local terms energy: -465.866315 where: bonds (distance) C4'-P energy: -124.798 bonds (distance) P-C4' energy: -159.899 flat angles C4'-P-C4' energy: -113.056 flat angles P-C4'-P energy: -76.359 tors. eta vs tors. theta energy: 8.244 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: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3109.913237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.913237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.913237 (E_RNA) where: Base-Base interactions energy: -2125.748 where: short stacking energy: -921.578 Base-Backbone interact. energy: -2.391 local terms energy: -981.774308 where: bonds (distance) C4'-P energy: -165.261 bonds (distance) P-C4' energy: -191.711 flat angles C4'-P-C4' energy: -207.235 flat angles P-C4'-P energy: -140.333 tors. eta vs tors. theta energy: -277.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3006.872074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.872074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.872074 (E_RNA) where: Base-Base interactions energy: -2092.741 where: short stacking energy: -867.657 Base-Backbone interact. energy: -1.765 local terms energy: -912.366216 where: bonds (distance) C4'-P energy: -178.173 bonds (distance) P-C4' energy: -168.344 flat angles C4'-P-C4' energy: -205.599 flat angles P-C4'-P energy: -119.536 tors. eta vs tors. theta energy: -240.714 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: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2804.887562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.887562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.887562 (E_RNA) where: Base-Base interactions energy: -1893.400 where: short stacking energy: -814.177 Base-Backbone interact. energy: -3.308 local terms energy: -908.180174 where: bonds (distance) C4'-P energy: -177.483 bonds (distance) P-C4' energy: -165.808 flat angles C4'-P-C4' energy: -203.446 flat angles P-C4'-P energy: -125.209 tors. eta vs tors. theta energy: -236.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2587.960385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.960385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.960385 (E_RNA) where: Base-Base interactions energy: -1744.717 where: short stacking energy: -751.526 Base-Backbone interact. energy: 2.935 local terms energy: -846.178523 where: bonds (distance) C4'-P energy: -167.538 bonds (distance) P-C4' energy: -149.297 flat angles C4'-P-C4' energy: -190.963 flat angles P-C4'-P energy: -121.111 tors. eta vs tors. theta energy: -217.269 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: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2334.962996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.962996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.962996 (E_RNA) where: Base-Base interactions energy: -1562.707 where: short stacking energy: -706.371 Base-Backbone interact. energy: 0.776 local terms energy: -773.032415 where: bonds (distance) C4'-P energy: -145.925 bonds (distance) P-C4' energy: -161.628 flat angles C4'-P-C4' energy: -170.191 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -195.688 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: 274 Temperature: 1.150000 Total energy: -2025.288258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.288258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.288258 (E_RNA) where: Base-Base interactions energy: -1286.426 where: short stacking energy: -593.816 Base-Backbone interact. energy: -0.806 local terms energy: -738.056782 where: bonds (distance) C4'-P energy: -157.154 bonds (distance) P-C4' energy: -155.030 flat angles C4'-P-C4' energy: -172.521 flat angles P-C4'-P energy: -111.016 tors. eta vs tors. theta energy: -142.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1641.039583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.039583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.039583 (E_RNA) where: Base-Base interactions energy: -1000.619 where: short stacking energy: -489.142 Base-Backbone interact. energy: -0.274 local terms energy: -640.146810 where: bonds (distance) C4'-P energy: -150.755 bonds (distance) P-C4' energy: -165.122 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -89.023 tors. eta vs tors. theta energy: -88.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1281.728618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.728618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.728618 (E_RNA) where: Base-Base interactions energy: -722.571 where: short stacking energy: -352.920 Base-Backbone interact. energy: 3.272 local terms energy: -562.430445 where: bonds (distance) C4'-P energy: -148.461 bonds (distance) P-C4' energy: -163.918 flat angles C4'-P-C4' energy: -130.002 flat angles P-C4'-P energy: -101.867 tors. eta vs tors. theta energy: -18.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -957.777287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.777287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.777287 (E_RNA) where: Base-Base interactions energy: -493.388 where: short stacking energy: -279.770 Base-Backbone interact. energy: -2.046 local terms energy: -462.342711 where: bonds (distance) C4'-P energy: -141.652 bonds (distance) P-C4' energy: -150.048 flat angles C4'-P-C4' energy: -126.166 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -680.037818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.037818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.037818 (E_RNA) where: Base-Base interactions energy: -211.104 where: short stacking energy: -180.184 Base-Backbone interact. energy: 4.373 local terms energy: -473.306254 where: bonds (distance) C4'-P energy: -146.650 bonds (distance) P-C4' energy: -138.630 flat angles C4'-P-C4' energy: -129.374 flat angles P-C4'-P energy: -89.784 tors. eta vs tors. theta energy: 31.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3105.491463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.491463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.491463 (E_RNA) where: Base-Base interactions energy: -2096.051 where: short stacking energy: -946.697 Base-Backbone interact. energy: -1.187 local terms energy: -1008.252805 where: bonds (distance) C4'-P energy: -180.189 bonds (distance) P-C4' energy: -178.226 flat angles C4'-P-C4' energy: -210.305 flat angles P-C4'-P energy: -156.606 tors. eta vs tors. theta energy: -282.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2996.067053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.067053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.067053 (E_RNA) where: Base-Base interactions energy: -2060.222 where: short stacking energy: -863.169 Base-Backbone interact. energy: -2.058 local terms energy: -933.787214 where: bonds (distance) C4'-P energy: -188.034 bonds (distance) P-C4' energy: -189.649 flat angles C4'-P-C4' energy: -200.804 flat angles P-C4'-P energy: -120.788 tors. eta vs tors. theta energy: -234.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2782.544082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.544082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.544082 (E_RNA) where: Base-Base interactions energy: -1888.597 where: short stacking energy: -846.583 Base-Backbone interact. energy: -2.052 local terms energy: -891.894793 where: bonds (distance) C4'-P energy: -171.507 bonds (distance) P-C4' energy: -167.335 flat angles C4'-P-C4' energy: -191.789 flat angles P-C4'-P energy: -132.438 tors. eta vs tors. theta energy: -228.826 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: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2533.702024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.702024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.702024 (E_RNA) where: Base-Base interactions energy: -1692.891 where: short stacking energy: -740.413 Base-Backbone interact. energy: -0.705 local terms energy: -840.105534 where: bonds (distance) C4'-P energy: -167.183 bonds (distance) P-C4' energy: -175.343 flat angles C4'-P-C4' energy: -194.853 flat angles P-C4'-P energy: -107.435 tors. eta vs tors. theta energy: -195.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2352.657016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.657016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.657016 (E_RNA) where: Base-Base interactions energy: -1535.166 where: short stacking energy: -704.256 Base-Backbone interact. energy: -4.847 local terms energy: -812.643819 where: bonds (distance) C4'-P energy: -141.983 bonds (distance) P-C4' energy: -163.944 flat angles C4'-P-C4' energy: -182.513 flat angles P-C4'-P energy: -126.259 tors. eta vs tors. theta energy: -197.945 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: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1959.579891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.579891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.579891 (E_RNA) where: Base-Base interactions energy: -1218.993 where: short stacking energy: -562.835 Base-Backbone interact. energy: -3.240 local terms energy: -737.347016 where: bonds (distance) C4'-P energy: -154.405 bonds (distance) P-C4' energy: -167.438 flat angles C4'-P-C4' energy: -161.259 flat angles P-C4'-P energy: -105.555 tors. eta vs tors. theta energy: -148.691 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: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1656.703775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.703775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.703775 (E_RNA) where: Base-Base interactions energy: -989.514 where: short stacking energy: -493.732 Base-Backbone interact. energy: 8.262 local terms energy: -675.451870 where: bonds (distance) C4'-P energy: -137.128 bonds (distance) P-C4' energy: -157.078 flat angles C4'-P-C4' energy: -161.060 flat angles P-C4'-P energy: -118.805 tors. eta vs tors. theta energy: -101.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1361.817763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.817763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.817763 (E_RNA) where: Base-Base interactions energy: -763.209 where: short stacking energy: -386.894 Base-Backbone interact. energy: 0.850 local terms energy: -599.459372 where: bonds (distance) C4'-P energy: -141.115 bonds (distance) P-C4' energy: -164.174 flat angles C4'-P-C4' energy: -135.180 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -57.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -983.611185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.611185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.611185 (E_RNA) where: Base-Base interactions energy: -497.401 where: short stacking energy: -266.659 Base-Backbone interact. energy: 0.647 local terms energy: -486.857843 where: bonds (distance) C4'-P energy: -131.925 bonds (distance) P-C4' energy: -149.948 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -53.144 tors. eta vs tors. theta energy: -12.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -695.292576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.292576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.292576 (E_RNA) where: Base-Base interactions energy: -239.328 where: short stacking energy: -199.637 Base-Backbone interact. energy: 7.902 local terms energy: -463.866297 where: bonds (distance) C4'-P energy: -135.565 bonds (distance) P-C4' energy: -165.431 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: 36.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3071.878436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.878436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.878436 (E_RNA) where: Base-Base interactions energy: -2091.207 where: short stacking energy: -880.359 Base-Backbone interact. energy: -4.585 local terms energy: -976.086719 where: bonds (distance) C4'-P energy: -168.862 bonds (distance) P-C4' energy: -199.820 flat angles C4'-P-C4' energy: -204.516 flat angles P-C4'-P energy: -134.278 tors. eta vs tors. theta energy: -268.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2996.292752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.292752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.292752 (E_RNA) where: Base-Base interactions energy: -2070.530 where: short stacking energy: -883.537 Base-Backbone interact. energy: 2.250 local terms energy: -928.013033 where: bonds (distance) C4'-P energy: -185.761 bonds (distance) P-C4' energy: -183.241 flat angles C4'-P-C4' energy: -199.893 flat angles P-C4'-P energy: -119.401 tors. eta vs tors. theta energy: -239.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2813.755710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.755710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.755710 (E_RNA) where: Base-Base interactions energy: -1909.140 where: short stacking energy: -851.140 Base-Backbone interact. energy: -5.855 local terms energy: -898.761076 where: bonds (distance) C4'-P energy: -161.069 bonds (distance) P-C4' energy: -171.735 flat angles C4'-P-C4' energy: -197.315 flat angles P-C4'-P energy: -127.029 tors. eta vs tors. theta energy: -241.613 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: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2609.111981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.111981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.111981 (E_RNA) where: Base-Base interactions energy: -1786.589 where: short stacking energy: -739.411 Base-Backbone interact. energy: -3.117 local terms energy: -819.405516 where: bonds (distance) C4'-P energy: -157.408 bonds (distance) P-C4' energy: -150.977 flat angles C4'-P-C4' energy: -172.558 flat angles P-C4'-P energy: -130.352 tors. eta vs tors. theta energy: -208.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2320.596366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.596366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.596366 (E_RNA) where: Base-Base interactions energy: -1523.386 where: short stacking energy: -711.977 Base-Backbone interact. energy: -1.306 local terms energy: -795.903998 where: bonds (distance) C4'-P energy: -154.173 bonds (distance) P-C4' energy: -169.354 flat angles C4'-P-C4' energy: -187.681 flat angles P-C4'-P energy: -94.241 tors. eta vs tors. theta energy: -190.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1990.023865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.023865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.023865 (E_RNA) where: Base-Base interactions energy: -1261.450 where: short stacking energy: -594.068 Base-Backbone interact. energy: -4.781 local terms energy: -723.792518 where: bonds (distance) C4'-P energy: -151.110 bonds (distance) P-C4' energy: -164.394 flat angles C4'-P-C4' energy: -171.861 flat angles P-C4'-P energy: -92.793 tors. eta vs tors. theta energy: -143.635 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: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1595.600187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.600187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.600187 (E_RNA) where: Base-Base interactions energy: -962.576 where: short stacking energy: -463.507 Base-Backbone interact. energy: 2.161 local terms energy: -635.185797 where: bonds (distance) C4'-P energy: -139.283 bonds (distance) P-C4' energy: -167.133 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -98.037 tors. eta vs tors. theta energy: -90.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1332.163600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.163600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.163600 (E_RNA) where: Base-Base interactions energy: -758.818 where: short stacking energy: -345.455 Base-Backbone interact. energy: 10.167 local terms energy: -583.513144 where: bonds (distance) C4'-P energy: -152.289 bonds (distance) P-C4' energy: -170.564 flat angles C4'-P-C4' energy: -142.829 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -52.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -946.977874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.977874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.977874 (E_RNA) where: Base-Base interactions energy: -486.718 where: short stacking energy: -273.660 Base-Backbone interact. energy: 3.031 local terms energy: -463.290824 where: bonds (distance) C4'-P energy: -145.291 bonds (distance) P-C4' energy: -139.690 flat angles C4'-P-C4' energy: -128.420 flat angles P-C4'-P energy: -66.673 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: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -664.631281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.631281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.631281 (E_RNA) where: Base-Base interactions energy: -197.070 where: short stacking energy: -177.167 Base-Backbone interact. energy: 8.358 local terms energy: -475.918982 where: bonds (distance) C4'-P energy: -143.742 bonds (distance) P-C4' energy: -164.590 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -85.765 tors. eta vs tors. theta energy: 43.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3097.231738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.231738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.231738 (E_RNA) where: Base-Base interactions energy: -2102.836 where: short stacking energy: -920.897 Base-Backbone interact. energy: -3.847 local terms energy: -990.548160 where: bonds (distance) C4'-P energy: -167.308 bonds (distance) P-C4' energy: -199.973 flat angles C4'-P-C4' energy: -211.875 flat angles P-C4'-P energy: -139.494 tors. eta vs tors. theta energy: -271.898 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: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3001.090891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.090891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.090891 (E_RNA) where: Base-Base interactions energy: -2071.999 where: short stacking energy: -872.559 Base-Backbone interact. energy: -7.543 local terms energy: -921.548648 where: bonds (distance) C4'-P energy: -171.250 bonds (distance) P-C4' energy: -178.771 flat angles C4'-P-C4' energy: -211.305 flat angles P-C4'-P energy: -131.187 tors. eta vs tors. theta energy: -229.035 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: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2816.549007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.549007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.549007 (E_RNA) where: Base-Base interactions energy: -1950.687 where: short stacking energy: -836.519 Base-Backbone interact. energy: -0.703 local terms energy: -865.158957 where: bonds (distance) C4'-P energy: -173.741 bonds (distance) P-C4' energy: -164.956 flat angles C4'-P-C4' energy: -188.920 flat angles P-C4'-P energy: -107.986 tors. eta vs tors. theta energy: -229.556 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: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2568.817773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.817773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.817773 (E_RNA) where: Base-Base interactions energy: -1744.005 where: short stacking energy: -727.491 Base-Backbone interact. energy: -1.051 local terms energy: -823.761439 where: bonds (distance) C4'-P energy: -155.802 bonds (distance) P-C4' energy: -165.439 flat angles C4'-P-C4' energy: -177.034 flat angles P-C4'-P energy: -132.542 tors. eta vs tors. theta energy: -192.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2345.157751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.157751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.157751 (E_RNA) where: Base-Base interactions energy: -1529.935 where: short stacking energy: -699.972 Base-Backbone interact. energy: -2.436 local terms energy: -812.786808 where: bonds (distance) C4'-P energy: -165.744 bonds (distance) P-C4' energy: -180.905 flat angles C4'-P-C4' energy: -188.513 flat angles P-C4'-P energy: -92.567 tors. eta vs tors. theta energy: -185.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1979.740977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.740977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.740977 (E_RNA) where: Base-Base interactions energy: -1230.358 where: short stacking energy: -580.953 Base-Backbone interact. energy: -2.234 local terms energy: -747.149447 where: bonds (distance) C4'-P energy: -152.491 bonds (distance) P-C4' energy: -160.823 flat angles C4'-P-C4' energy: -171.644 flat angles P-C4'-P energy: -119.352 tors. eta vs tors. theta energy: -142.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1554.359703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.359703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.359703 (E_RNA) where: Base-Base interactions energy: -896.013 where: short stacking energy: -444.059 Base-Backbone interact. energy: -4.047 local terms energy: -654.299329 where: bonds (distance) C4'-P energy: -150.371 bonds (distance) P-C4' energy: -170.011 flat angles C4'-P-C4' energy: -156.238 flat angles P-C4'-P energy: -111.119 tors. eta vs tors. theta energy: -66.560 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: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1427.726160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.726160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.726160 (E_RNA) where: Base-Base interactions energy: -807.345 where: short stacking energy: -398.246 Base-Backbone interact. energy: 0.881 local terms energy: -621.261935 where: bonds (distance) C4'-P energy: -131.237 bonds (distance) P-C4' energy: -159.814 flat angles C4'-P-C4' energy: -157.262 flat angles P-C4'-P energy: -105.678 tors. eta vs tors. theta energy: -67.271 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: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -975.948455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.948455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.948455 (E_RNA) where: Base-Base interactions energy: -469.829 where: short stacking energy: -267.600 Base-Backbone interact. energy: 2.546 local terms energy: -508.665234 where: bonds (distance) C4'-P energy: -158.470 bonds (distance) P-C4' energy: -146.252 flat angles C4'-P-C4' energy: -133.835 flat angles P-C4'-P energy: -85.928 tors. eta vs tors. theta energy: 15.818 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: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -709.593482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.593482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.593482 (E_RNA) where: Base-Base interactions energy: -254.071 where: short stacking energy: -230.693 Base-Backbone interact. energy: 8.115 local terms energy: -463.637738 where: bonds (distance) C4'-P energy: -141.973 bonds (distance) P-C4' energy: -162.571 flat angles C4'-P-C4' energy: -125.099 flat angles P-C4'-P energy: -67.033 tors. eta vs tors. theta energy: 33.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3111.142262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.142262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.142262 (E_RNA) where: Base-Base interactions energy: -2115.459 where: short stacking energy: -948.237 Base-Backbone interact. energy: -4.256 local terms energy: -991.427563 where: bonds (distance) C4'-P energy: -192.989 bonds (distance) P-C4' energy: -175.714 flat angles C4'-P-C4' energy: -207.163 flat angles P-C4'-P energy: -146.155 tors. eta vs tors. theta energy: -269.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3010.531194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.531194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.531194 (E_RNA) where: Base-Base interactions energy: -2078.080 where: short stacking energy: -854.658 Base-Backbone interact. energy: 8.920 local terms energy: -941.371775 where: bonds (distance) C4'-P energy: -175.049 bonds (distance) P-C4' energy: -197.054 flat angles C4'-P-C4' energy: -197.191 flat angles P-C4'-P energy: -127.133 tors. eta vs tors. theta energy: -244.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2798.115343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.115343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.115343 (E_RNA) where: Base-Base interactions energy: -1912.886 where: short stacking energy: -838.081 Base-Backbone interact. energy: -1.820 local terms energy: -883.409408 where: bonds (distance) C4'-P energy: -161.163 bonds (distance) P-C4' energy: -165.534 flat angles C4'-P-C4' energy: -204.280 flat angles P-C4'-P energy: -124.202 tors. eta vs tors. theta energy: -228.231 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: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2617.418664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.418664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.418664 (E_RNA) where: Base-Base interactions energy: -1765.662 where: short stacking energy: -744.595 Base-Backbone interact. energy: 0.106 local terms energy: -851.862892 where: bonds (distance) C4'-P energy: -155.585 bonds (distance) P-C4' energy: -172.396 flat angles C4'-P-C4' energy: -184.237 flat angles P-C4'-P energy: -135.824 tors. eta vs tors. theta energy: -203.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2403.185482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.185482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.185482 (E_RNA) where: Base-Base interactions energy: -1595.273 where: short stacking energy: -750.703 Base-Backbone interact. energy: 4.457 local terms energy: -812.369816 where: bonds (distance) C4'-P energy: -149.317 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -188.065 flat angles P-C4'-P energy: -126.584 tors. eta vs tors. theta energy: -195.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2088.484660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.484660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.484660 (E_RNA) where: Base-Base interactions energy: -1341.108 where: short stacking energy: -599.563 Base-Backbone interact. energy: -4.305 local terms energy: -743.071131 where: bonds (distance) C4'-P energy: -154.174 bonds (distance) P-C4' energy: -151.336 flat angles C4'-P-C4' energy: -176.729 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -161.047 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: 278 Temperature: 1.200000 Total energy: -1557.886096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.886096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.886096 (E_RNA) where: Base-Base interactions energy: -919.966 where: short stacking energy: -431.512 Base-Backbone interact. energy: 0.524 local terms energy: -638.444651 where: bonds (distance) C4'-P energy: -155.475 bonds (distance) P-C4' energy: -160.158 flat angles C4'-P-C4' energy: -136.446 flat angles P-C4'-P energy: -118.883 tors. eta vs tors. theta energy: -67.481 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: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1453.054986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.054986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.054986 (E_RNA) where: Base-Base interactions energy: -868.781 where: short stacking energy: -395.360 Base-Backbone interact. energy: 0.503 local terms energy: -584.776982 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -170.646 flat angles C4'-P-C4' energy: -142.991 flat angles P-C4'-P energy: -79.296 tors. eta vs tors. theta energy: -51.034 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: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -942.621656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.621656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.621656 (E_RNA) where: Base-Base interactions energy: -451.583 where: short stacking energy: -276.932 Base-Backbone interact. energy: 2.706 local terms energy: -493.745281 where: bonds (distance) C4'-P energy: -125.214 bonds (distance) P-C4' energy: -142.890 flat angles C4'-P-C4' energy: -136.754 flat angles P-C4'-P energy: -84.998 tors. eta vs tors. theta energy: -3.889 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: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -677.038497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.038497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.038497 (E_RNA) where: Base-Base interactions energy: -224.260 where: short stacking energy: -195.950 Base-Backbone interact. energy: 2.105 local terms energy: -454.883587 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -169.552 flat angles C4'-P-C4' energy: -105.349 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: 42.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3094.888537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.888537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.888537 (E_RNA) where: Base-Base interactions energy: -2108.383 where: short stacking energy: -933.346 Base-Backbone interact. energy: -1.891 local terms energy: -984.614578 where: bonds (distance) C4'-P energy: -187.118 bonds (distance) P-C4' energy: -177.877 flat angles C4'-P-C4' energy: -209.978 flat angles P-C4'-P energy: -136.820 tors. eta vs tors. theta energy: -272.823 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: 279 Temperature: 0.950000 Total energy: -2969.870413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.870413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.870413 (E_RNA) where: Base-Base interactions energy: -2046.285 where: short stacking energy: -831.264 Base-Backbone interact. energy: 1.264 local terms energy: -924.849515 where: bonds (distance) C4'-P energy: -176.023 bonds (distance) P-C4' energy: -183.512 flat angles C4'-P-C4' energy: -193.021 flat angles P-C4'-P energy: -134.406 tors. eta vs tors. theta energy: -237.887 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: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2811.317573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.317573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.317573 (E_RNA) where: Base-Base interactions energy: -1907.071 where: short stacking energy: -811.633 Base-Backbone interact. energy: -3.928 local terms energy: -900.318346 where: bonds (distance) C4'-P energy: -171.804 bonds (distance) P-C4' energy: -170.061 flat angles C4'-P-C4' energy: -203.548 flat angles P-C4'-P energy: -118.724 tors. eta vs tors. theta energy: -236.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2574.594021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.594021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.594021 (E_RNA) where: Base-Base interactions energy: -1725.069 where: short stacking energy: -759.693 Base-Backbone interact. energy: -0.782 local terms energy: -848.742538 where: bonds (distance) C4'-P energy: -135.238 bonds (distance) P-C4' energy: -188.154 flat angles C4'-P-C4' energy: -184.191 flat angles P-C4'-P energy: -124.981 tors. eta vs tors. theta energy: -216.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2388.962963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.962963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.962963 (E_RNA) where: Base-Base interactions energy: -1581.790 where: short stacking energy: -706.014 Base-Backbone interact. energy: 7.468 local terms energy: -814.640760 where: bonds (distance) C4'-P energy: -156.996 bonds (distance) P-C4' energy: -168.679 flat angles C4'-P-C4' energy: -185.252 flat angles P-C4'-P energy: -99.239 tors. eta vs tors. theta energy: -204.475 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: 279 Temperature: 1.150000 Total energy: -2070.073569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.073569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.073569 (E_RNA) where: Base-Base interactions energy: -1329.847 where: short stacking energy: -616.644 Base-Backbone interact. energy: 6.011 local terms energy: -746.237726 where: bonds (distance) C4'-P energy: -125.871 bonds (distance) P-C4' energy: -154.838 flat angles C4'-P-C4' energy: -171.862 flat angles P-C4'-P energy: -119.988 tors. eta vs tors. theta energy: -173.679 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: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1563.342510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.342510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.342510 (E_RNA) where: Base-Base interactions energy: -922.828 where: short stacking energy: -413.242 Base-Backbone interact. energy: 2.817 local terms energy: -643.331777 where: bonds (distance) C4'-P energy: -158.353 bonds (distance) P-C4' energy: -152.551 flat angles C4'-P-C4' energy: -170.124 flat angles P-C4'-P energy: -93.341 tors. eta vs tors. theta energy: -68.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1519.334215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.334215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.334215 (E_RNA) where: Base-Base interactions energy: -868.631 where: short stacking energy: -396.384 Base-Backbone interact. energy: 3.728 local terms energy: -654.431205 where: bonds (distance) C4'-P energy: -157.401 bonds (distance) P-C4' energy: -155.033 flat angles C4'-P-C4' energy: -173.063 flat angles P-C4'-P energy: -108.750 tors. eta vs tors. theta energy: -60.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -928.341063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.341063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.341063 (E_RNA) where: Base-Base interactions energy: -440.595 where: short stacking energy: -260.515 Base-Backbone interact. energy: 0.422 local terms energy: -488.168377 where: bonds (distance) C4'-P energy: -128.379 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -138.120 flat angles P-C4'-P energy: -97.991 tors. eta vs tors. theta energy: 22.375 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: 279 Temperature: 1.350000 Total energy: -648.067150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.067150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.067150 (E_RNA) where: Base-Base interactions energy: -224.896 where: short stacking energy: -181.942 Base-Backbone interact. energy: 7.190 local terms energy: -430.361189 where: bonds (distance) C4'-P energy: -142.331 bonds (distance) P-C4' energy: -145.848 flat angles C4'-P-C4' energy: -123.553 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: 40.134 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: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3107.602962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.602962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.602962 (E_RNA) where: Base-Base interactions energy: -2121.380 where: short stacking energy: -914.944 Base-Backbone interact. energy: -3.190 local terms energy: -983.032484 where: bonds (distance) C4'-P energy: -188.617 bonds (distance) P-C4' energy: -186.292 flat angles C4'-P-C4' energy: -202.749 flat angles P-C4'-P energy: -136.748 tors. eta vs tors. theta energy: -268.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2942.876466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.876466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.876466 (E_RNA) where: Base-Base interactions energy: -2023.222 where: short stacking energy: -817.746 Base-Backbone interact. energy: 0.848 local terms energy: -920.502846 where: bonds (distance) C4'-P energy: -171.903 bonds (distance) P-C4' energy: -169.831 flat angles C4'-P-C4' energy: -200.301 flat angles P-C4'-P energy: -140.699 tors. eta vs tors. theta energy: -237.770 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: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2816.907476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.907476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.907476 (E_RNA) where: Base-Base interactions energy: -1928.747 where: short stacking energy: -838.380 Base-Backbone interact. energy: -3.733 local terms energy: -884.427466 where: bonds (distance) C4'-P energy: -158.174 bonds (distance) P-C4' energy: -171.637 flat angles C4'-P-C4' energy: -199.648 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -247.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2519.111833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.111833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.111833 (E_RNA) where: Base-Base interactions energy: -1679.611 where: short stacking energy: -754.800 Base-Backbone interact. energy: -3.211 local terms energy: -836.289335 where: bonds (distance) C4'-P energy: -148.228 bonds (distance) P-C4' energy: -163.553 flat angles C4'-P-C4' energy: -179.841 flat angles P-C4'-P energy: -132.721 tors. eta vs tors. theta energy: -211.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2361.531546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.531546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.531546 (E_RNA) where: Base-Base interactions energy: -1547.063 where: short stacking energy: -703.861 Base-Backbone interact. energy: 1.172 local terms energy: -815.639984 where: bonds (distance) C4'-P energy: -157.086 bonds (distance) P-C4' energy: -168.745 flat angles C4'-P-C4' energy: -172.476 flat angles P-C4'-P energy: -115.451 tors. eta vs tors. theta energy: -201.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2021.791405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.791405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.791405 (E_RNA) where: Base-Base interactions energy: -1314.322 where: short stacking energy: -594.802 Base-Backbone interact. energy: -2.738 local terms energy: -704.731394 where: bonds (distance) C4'-P energy: -145.331 bonds (distance) P-C4' energy: -129.559 flat angles C4'-P-C4' energy: -173.428 flat angles P-C4'-P energy: -104.556 tors. eta vs tors. theta energy: -151.856 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: 280 Temperature: 1.200000 Total energy: -1593.711158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.711158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.711158 (E_RNA) where: Base-Base interactions energy: -939.016 where: short stacking energy: -451.895 Base-Backbone interact. energy: -3.392 local terms energy: -651.303258 where: bonds (distance) C4'-P energy: -156.075 bonds (distance) P-C4' energy: -163.022 flat angles C4'-P-C4' energy: -164.679 flat angles P-C4'-P energy: -93.605 tors. eta vs tors. theta energy: -73.922 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1449.615369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.615369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.615369 (E_RNA) where: Base-Base interactions energy: -856.446 where: short stacking energy: -393.444 Base-Backbone interact. energy: -2.280 local terms energy: -590.889364 where: bonds (distance) C4'-P energy: -138.354 bonds (distance) P-C4' energy: -145.401 flat angles C4'-P-C4' energy: -157.148 flat angles P-C4'-P energy: -96.370 tors. eta vs tors. theta energy: -53.616 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: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -929.177206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.177206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.177206 (E_RNA) where: Base-Base interactions energy: -439.329 where: short stacking energy: -240.202 Base-Backbone interact. energy: 2.424 local terms energy: -492.271377 where: bonds (distance) C4'-P energy: -136.098 bonds (distance) P-C4' energy: -144.960 flat angles C4'-P-C4' energy: -143.499 flat angles P-C4'-P energy: -75.443 tors. eta vs tors. theta energy: 7.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -683.003879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.003879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.003879 (E_RNA) where: Base-Base interactions energy: -236.569 where: short stacking energy: -202.755 Base-Backbone interact. energy: 1.170 local terms energy: -447.604435 where: bonds (distance) C4'-P energy: -142.173 bonds (distance) P-C4' energy: -156.537 flat angles C4'-P-C4' energy: -126.522 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: 36.134 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: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3111.933734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.933734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.933734 (E_RNA) where: Base-Base interactions energy: -2129.436 where: short stacking energy: -900.005 Base-Backbone interact. energy: -0.485 local terms energy: -982.013258 where: bonds (distance) C4'-P energy: -183.088 bonds (distance) P-C4' energy: -166.392 flat angles C4'-P-C4' energy: -221.760 flat angles P-C4'-P energy: -145.511 tors. eta vs tors. theta energy: -265.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2935.533422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.533422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.533422 (E_RNA) where: Base-Base interactions energy: -2011.302 where: short stacking energy: -822.677 Base-Backbone interact. energy: -4.245 local terms energy: -919.986013 where: bonds (distance) C4'-P energy: -172.510 bonds (distance) P-C4' energy: -183.414 flat angles C4'-P-C4' energy: -192.792 flat angles P-C4'-P energy: -136.955 tors. eta vs tors. theta energy: -234.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2771.771508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.771508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.771508 (E_RNA) where: Base-Base interactions energy: -1898.602 where: short stacking energy: -761.874 Base-Backbone interact. energy: -3.063 local terms energy: -870.106058 where: bonds (distance) C4'-P energy: -141.257 bonds (distance) P-C4' energy: -173.596 flat angles C4'-P-C4' energy: -186.284 flat angles P-C4'-P energy: -142.337 tors. eta vs tors. theta energy: -226.633 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: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2579.974466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.974466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.974466 (E_RNA) where: Base-Base interactions energy: -1730.015 where: short stacking energy: -776.482 Base-Backbone interact. energy: -1.758 local terms energy: -848.201698 where: bonds (distance) C4'-P energy: -150.102 bonds (distance) P-C4' energy: -164.927 flat angles C4'-P-C4' energy: -188.249 flat angles P-C4'-P energy: -124.082 tors. eta vs tors. theta energy: -220.841 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: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2406.429813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.429813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.429813 (E_RNA) where: Base-Base interactions energy: -1633.046 where: short stacking energy: -728.761 Base-Backbone interact. energy: 1.219 local terms energy: -774.602381 where: bonds (distance) C4'-P energy: -143.688 bonds (distance) P-C4' energy: -154.385 flat angles C4'-P-C4' energy: -165.402 flat angles P-C4'-P energy: -112.561 tors. eta vs tors. theta energy: -198.566 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: 281 Temperature: 1.150000 Total energy: -2105.610576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.610576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.610576 (E_RNA) where: Base-Base interactions energy: -1367.217 where: short stacking energy: -603.305 Base-Backbone interact. energy: -0.011 local terms energy: -738.382046 where: bonds (distance) C4'-P energy: -168.591 bonds (distance) P-C4' energy: -160.402 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -109.864 tors. eta vs tors. theta energy: -151.138 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: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1613.785320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.785320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.785320 (E_RNA) where: Base-Base interactions energy: -979.270 where: short stacking energy: -457.282 Base-Backbone interact. energy: -1.726 local terms energy: -632.789018 where: bonds (distance) C4'-P energy: -145.477 bonds (distance) P-C4' energy: -163.705 flat angles C4'-P-C4' energy: -144.996 flat angles P-C4'-P energy: -112.619 tors. eta vs tors. theta energy: -65.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1399.576468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.576468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.576468 (E_RNA) where: Base-Base interactions energy: -813.468 where: short stacking energy: -381.186 Base-Backbone interact. energy: -1.271 local terms energy: -584.837724 where: bonds (distance) C4'-P energy: -154.131 bonds (distance) P-C4' energy: -152.742 flat angles C4'-P-C4' energy: -139.874 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -53.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -939.985778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.985778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.985778 (E_RNA) where: Base-Base interactions energy: -448.775 where: short stacking energy: -261.023 Base-Backbone interact. energy: 2.509 local terms energy: -493.720372 where: bonds (distance) C4'-P energy: -156.056 bonds (distance) P-C4' energy: -142.286 flat angles C4'-P-C4' energy: -113.931 flat angles P-C4'-P energy: -81.915 tors. eta vs tors. theta energy: 0.467 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: 281 Temperature: 1.350000 Total energy: -722.448524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.448524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.448524 (E_RNA) where: Base-Base interactions energy: -269.830 where: short stacking energy: -221.781 Base-Backbone interact. energy: 1.287 local terms energy: -453.905372 where: bonds (distance) C4'-P energy: -123.535 bonds (distance) P-C4' energy: -155.593 flat angles C4'-P-C4' energy: -133.090 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: 23.257 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: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3096.833038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.833038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.833038 (E_RNA) where: Base-Base interactions energy: -2117.051 where: short stacking energy: -898.908 Base-Backbone interact. energy: -6.883 local terms energy: -972.898540 where: bonds (distance) C4'-P energy: -181.531 bonds (distance) P-C4' energy: -190.139 flat angles C4'-P-C4' energy: -210.230 flat angles P-C4'-P energy: -127.782 tors. eta vs tors. theta energy: -263.217 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: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2965.947538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.947538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.947538 (E_RNA) where: Base-Base interactions energy: -2043.629 where: short stacking energy: -849.850 Base-Backbone interact. energy: -5.013 local terms energy: -917.305725 where: bonds (distance) C4'-P energy: -175.781 bonds (distance) P-C4' energy: -171.717 flat angles C4'-P-C4' energy: -198.226 flat angles P-C4'-P energy: -126.067 tors. eta vs tors. theta energy: -245.515 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: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2832.094573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.094573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.094573 (E_RNA) where: Base-Base interactions energy: -1935.405 where: short stacking energy: -834.858 Base-Backbone interact. energy: -4.295 local terms energy: -892.394645 where: bonds (distance) C4'-P energy: -159.920 bonds (distance) P-C4' energy: -179.458 flat angles C4'-P-C4' energy: -184.711 flat angles P-C4'-P energy: -129.130 tors. eta vs tors. theta energy: -239.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2558.043071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.043071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.043071 (E_RNA) where: Base-Base interactions energy: -1676.225 where: short stacking energy: -743.639 Base-Backbone interact. energy: -2.788 local terms energy: -879.029762 where: bonds (distance) C4'-P energy: -167.484 bonds (distance) P-C4' energy: -175.568 flat angles C4'-P-C4' energy: -198.817 flat angles P-C4'-P energy: -126.281 tors. eta vs tors. theta energy: -210.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2473.046380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.046380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.046380 (E_RNA) where: Base-Base interactions energy: -1637.191 where: short stacking energy: -736.755 Base-Backbone interact. energy: -1.325 local terms energy: -834.530799 where: bonds (distance) C4'-P energy: -159.736 bonds (distance) P-C4' energy: -171.163 flat angles C4'-P-C4' energy: -180.571 flat angles P-C4'-P energy: -109.010 tors. eta vs tors. theta energy: -214.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2142.764434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.764434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.764434 (E_RNA) where: Base-Base interactions energy: -1399.412 where: short stacking energy: -620.633 Base-Backbone interact. energy: -3.616 local terms energy: -739.736399 where: bonds (distance) C4'-P energy: -151.513 bonds (distance) P-C4' energy: -151.576 flat angles C4'-P-C4' energy: -168.193 flat angles P-C4'-P energy: -111.253 tors. eta vs tors. theta energy: -157.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1523.797986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.797986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.797986 (E_RNA) where: Base-Base interactions energy: -894.307 where: short stacking energy: -410.628 Base-Backbone interact. energy: -5.096 local terms energy: -624.394823 where: bonds (distance) C4'-P energy: -137.422 bonds (distance) P-C4' energy: -148.754 flat angles C4'-P-C4' energy: -169.119 flat angles P-C4'-P energy: -108.842 tors. eta vs tors. theta energy: -60.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1359.059351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.059351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.059351 (E_RNA) where: Base-Base interactions energy: -790.600 where: short stacking energy: -404.697 Base-Backbone interact. energy: 0.009 local terms energy: -568.468381 where: bonds (distance) C4'-P energy: -163.750 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -138.304 flat angles P-C4'-P energy: -88.841 tors. eta vs tors. theta energy: -51.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1030.884590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.884590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.884590 (E_RNA) where: Base-Base interactions energy: -535.468 where: short stacking energy: -304.235 Base-Backbone interact. energy: 1.959 local terms energy: -497.375503 where: bonds (distance) C4'-P energy: -122.616 bonds (distance) P-C4' energy: -158.812 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -67.492 tors. eta vs tors. theta energy: -12.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -670.942557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.942557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.942557 (E_RNA) where: Base-Base interactions energy: -247.662 where: short stacking energy: -225.838 Base-Backbone interact. energy: 5.812 local terms energy: -429.093027 where: bonds (distance) C4'-P energy: -135.865 bonds (distance) P-C4' energy: -142.818 flat angles C4'-P-C4' energy: -128.233 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: 32.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3106.387462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.387462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.387462 (E_RNA) where: Base-Base interactions energy: -2097.113 where: short stacking energy: -910.508 Base-Backbone interact. energy: -7.053 local terms energy: -1002.221608 where: bonds (distance) C4'-P energy: -192.240 bonds (distance) P-C4' energy: -174.974 flat angles C4'-P-C4' energy: -221.660 flat angles P-C4'-P energy: -150.213 tors. eta vs tors. theta energy: -263.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2959.128453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.128453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.128453 (E_RNA) where: Base-Base interactions energy: -2047.706 where: short stacking energy: -878.136 Base-Backbone interact. energy: -0.403 local terms energy: -911.019641 where: bonds (distance) C4'-P energy: -172.668 bonds (distance) P-C4' energy: -163.324 flat angles C4'-P-C4' energy: -205.918 flat angles P-C4'-P energy: -135.242 tors. eta vs tors. theta energy: -233.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2830.246651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.246651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.246651 (E_RNA) where: Base-Base interactions energy: -1949.915 where: short stacking energy: -829.408 Base-Backbone interact. energy: 2.852 local terms energy: -883.183368 where: bonds (distance) C4'-P energy: -174.618 bonds (distance) P-C4' energy: -160.470 flat angles C4'-P-C4' energy: -192.318 flat angles P-C4'-P energy: -119.830 tors. eta vs tors. theta energy: -235.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2541.974010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.974010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.974010 (E_RNA) where: Base-Base interactions energy: -1713.781 where: short stacking energy: -751.632 Base-Backbone interact. energy: 0.264 local terms energy: -828.457125 where: bonds (distance) C4'-P energy: -152.591 bonds (distance) P-C4' energy: -189.111 flat angles C4'-P-C4' energy: -190.082 flat angles P-C4'-P energy: -110.232 tors. eta vs tors. theta energy: -186.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2487.636720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.636720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.636720 (E_RNA) where: Base-Base interactions energy: -1672.309 where: short stacking energy: -741.009 Base-Backbone interact. energy: 0.143 local terms energy: -815.470561 where: bonds (distance) C4'-P energy: -159.234 bonds (distance) P-C4' energy: -172.818 flat angles C4'-P-C4' energy: -183.790 flat angles P-C4'-P energy: -93.769 tors. eta vs tors. theta energy: -205.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2112.642511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.642511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.642511 (E_RNA) where: Base-Base interactions energy: -1363.102 where: short stacking energy: -650.312 Base-Backbone interact. energy: -2.563 local terms energy: -746.977896 where: bonds (distance) C4'-P energy: -150.343 bonds (distance) P-C4' energy: -164.704 flat angles C4'-P-C4' energy: -157.201 flat angles P-C4'-P energy: -104.823 tors. eta vs tors. theta energy: -169.905 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: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1614.183163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.183163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.183163 (E_RNA) where: Base-Base interactions energy: -945.134 where: short stacking energy: -455.787 Base-Backbone interact. energy: -4.862 local terms energy: -664.187457 where: bonds (distance) C4'-P energy: -166.566 bonds (distance) P-C4' energy: -164.384 flat angles C4'-P-C4' energy: -161.972 flat angles P-C4'-P energy: -101.573 tors. eta vs tors. theta energy: -69.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1286.927252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.927252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.927252 (E_RNA) where: Base-Base interactions energy: -732.504 where: short stacking energy: -359.192 Base-Backbone interact. energy: -5.285 local terms energy: -549.138150 where: bonds (distance) C4'-P energy: -146.749 bonds (distance) P-C4' energy: -147.130 flat angles C4'-P-C4' energy: -158.431 flat angles P-C4'-P energy: -70.946 tors. eta vs tors. theta energy: -25.882 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: 283 Temperature: 1.300000 Total energy: -996.918291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.918291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.918291 (E_RNA) where: Base-Base interactions energy: -491.052 where: short stacking energy: -290.655 Base-Backbone interact. energy: 1.129 local terms energy: -506.995433 where: bonds (distance) C4'-P energy: -139.388 bonds (distance) P-C4' energy: -162.151 flat angles C4'-P-C4' energy: -116.605 flat angles P-C4'-P energy: -78.229 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: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -687.688697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.688697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.688697 (E_RNA) where: Base-Base interactions energy: -246.381 where: short stacking energy: -198.654 Base-Backbone interact. energy: 1.132 local terms energy: -442.439952 where: bonds (distance) C4'-P energy: -152.612 bonds (distance) P-C4' energy: -138.776 flat angles C4'-P-C4' energy: -127.039 flat angles P-C4'-P energy: -62.900 tors. eta vs tors. theta energy: 38.887 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: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3082.403983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.403983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.403983 (E_RNA) where: Base-Base interactions energy: -2090.459 where: short stacking energy: -899.990 Base-Backbone interact. energy: -0.899 local terms energy: -991.045895 where: bonds (distance) C4'-P energy: -173.813 bonds (distance) P-C4' energy: -193.237 flat angles C4'-P-C4' energy: -212.672 flat angles P-C4'-P energy: -154.248 tors. eta vs tors. theta energy: -257.076 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: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -3045.871623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.871623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.871623 (E_RNA) where: Base-Base interactions energy: -2094.621 where: short stacking energy: -866.434 Base-Backbone interact. energy: -4.295 local terms energy: -946.955741 where: bonds (distance) C4'-P energy: -180.106 bonds (distance) P-C4' energy: -181.446 flat angles C4'-P-C4' energy: -205.518 flat angles P-C4'-P energy: -132.567 tors. eta vs tors. theta energy: -247.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2872.959231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.959231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.959231 (E_RNA) where: Base-Base interactions energy: -1953.406 where: short stacking energy: -850.730 Base-Backbone interact. energy: -4.437 local terms energy: -915.116233 where: bonds (distance) C4'-P energy: -176.988 bonds (distance) P-C4' energy: -168.368 flat angles C4'-P-C4' energy: -210.079 flat angles P-C4'-P energy: -111.176 tors. eta vs tors. theta energy: -248.506 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: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2563.492632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.492632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.492632 (E_RNA) where: Base-Base interactions energy: -1742.383 where: short stacking energy: -769.930 Base-Backbone interact. energy: 0.194 local terms energy: -821.303040 where: bonds (distance) C4'-P energy: -139.199 bonds (distance) P-C4' energy: -182.283 flat angles C4'-P-C4' energy: -177.534 flat angles P-C4'-P energy: -120.093 tors. eta vs tors. theta energy: -202.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2464.497200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.497200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.497200 (E_RNA) where: Base-Base interactions energy: -1625.160 where: short stacking energy: -727.053 Base-Backbone interact. energy: 0.513 local terms energy: -839.850297 where: bonds (distance) C4'-P energy: -178.375 bonds (distance) P-C4' energy: -165.030 flat angles C4'-P-C4' energy: -196.855 flat angles P-C4'-P energy: -96.513 tors. eta vs tors. theta energy: -203.077 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: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2139.292820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.292820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.292820 (E_RNA) where: Base-Base interactions energy: -1384.708 where: short stacking energy: -629.587 Base-Backbone interact. energy: -3.471 local terms energy: -751.113116 where: bonds (distance) C4'-P energy: -170.348 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -178.995 flat angles P-C4'-P energy: -102.971 tors. eta vs tors. theta energy: -160.544 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: 284 Temperature: 1.200000 Total energy: -1639.118436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.118436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.118436 (E_RNA) where: Base-Base interactions energy: -1004.100 where: short stacking energy: -495.028 Base-Backbone interact. energy: 5.235 local terms energy: -640.252855 where: bonds (distance) C4'-P energy: -144.440 bonds (distance) P-C4' energy: -161.562 flat angles C4'-P-C4' energy: -165.923 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -96.136 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: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1260.064073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.064073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.064073 (E_RNA) where: Base-Base interactions energy: -692.899 where: short stacking energy: -338.168 Base-Backbone interact. energy: 1.820 local terms energy: -568.986001 where: bonds (distance) C4'-P energy: -158.012 bonds (distance) P-C4' energy: -150.907 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -95.496 tors. eta vs tors. theta energy: -22.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -981.388536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.388536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.388536 (E_RNA) where: Base-Base interactions energy: -506.118 where: short stacking energy: -259.076 Base-Backbone interact. energy: -4.290 local terms energy: -470.979765 where: bonds (distance) C4'-P energy: -137.416 bonds (distance) P-C4' energy: -149.084 flat angles C4'-P-C4' energy: -125.559 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: 14.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -645.179083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.179083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.179083 (E_RNA) where: Base-Base interactions energy: -194.365 where: short stacking energy: -147.853 Base-Backbone interact. energy: 0.118 local terms energy: -450.932472 where: bonds (distance) C4'-P energy: -137.354 bonds (distance) P-C4' energy: -159.070 flat angles C4'-P-C4' energy: -116.314 flat angles P-C4'-P energy: -82.015 tors. eta vs tors. theta energy: 43.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3119.946042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.946042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.946042 (E_RNA) where: Base-Base interactions energy: -2126.743 where: short stacking energy: -911.979 Base-Backbone interact. energy: -0.556 local terms energy: -992.647341 where: bonds (distance) C4'-P energy: -192.928 bonds (distance) P-C4' energy: -177.830 flat angles C4'-P-C4' energy: -212.268 flat angles P-C4'-P energy: -143.773 tors. eta vs tors. theta energy: -265.849 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: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2967.736050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.736050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.736050 (E_RNA) where: Base-Base interactions energy: -2066.118 where: short stacking energy: -868.466 Base-Backbone interact. energy: 0.644 local terms energy: -902.261973 where: bonds (distance) C4'-P energy: -165.125 bonds (distance) P-C4' energy: -175.795 flat angles C4'-P-C4' energy: -205.044 flat angles P-C4'-P energy: -120.223 tors. eta vs tors. theta energy: -236.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2838.329148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.329148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.329148 (E_RNA) where: Base-Base interactions energy: -1956.869 where: short stacking energy: -844.917 Base-Backbone interact. energy: -4.041 local terms energy: -877.419864 where: bonds (distance) C4'-P energy: -165.517 bonds (distance) P-C4' energy: -160.137 flat angles C4'-P-C4' energy: -181.136 flat angles P-C4'-P energy: -128.481 tors. eta vs tors. theta energy: -242.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2581.052974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.052974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.052974 (E_RNA) where: Base-Base interactions energy: -1708.507 where: short stacking energy: -765.006 Base-Backbone interact. energy: -2.891 local terms energy: -869.654525 where: bonds (distance) C4'-P energy: -164.604 bonds (distance) P-C4' energy: -169.642 flat angles C4'-P-C4' energy: -192.816 flat angles P-C4'-P energy: -124.619 tors. eta vs tors. theta energy: -217.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2354.374478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.374478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.374478 (E_RNA) where: Base-Base interactions energy: -1542.142 where: short stacking energy: -696.894 Base-Backbone interact. energy: 1.623 local terms energy: -813.855112 where: bonds (distance) C4'-P energy: -166.493 bonds (distance) P-C4' energy: -173.366 flat angles C4'-P-C4' energy: -172.960 flat angles P-C4'-P energy: -118.036 tors. eta vs tors. theta energy: -183.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2166.856037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.856037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.856037 (E_RNA) where: Base-Base interactions energy: -1392.912 where: short stacking energy: -638.699 Base-Backbone interact. energy: -4.098 local terms energy: -769.846094 where: bonds (distance) C4'-P energy: -162.140 bonds (distance) P-C4' energy: -142.721 flat angles C4'-P-C4' energy: -187.722 flat angles P-C4'-P energy: -112.239 tors. eta vs tors. theta energy: -165.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1657.267160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.267160 (E_RNA) where: Base-Base interactions energy: -1028.771 where: short stacking energy: -486.844 Base-Backbone interact. energy: -1.371 local terms energy: -627.125528 where: bonds (distance) C4'-P energy: -162.910 bonds (distance) P-C4' energy: -131.049 flat angles C4'-P-C4' energy: -153.782 flat angles P-C4'-P energy: -85.733 tors. eta vs tors. theta energy: -93.651 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: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1215.419588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.419588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.419588 (E_RNA) where: Base-Base interactions energy: -651.826 where: short stacking energy: -345.838 Base-Backbone interact. energy: 6.310 local terms energy: -569.903540 where: bonds (distance) C4'-P energy: -170.281 bonds (distance) P-C4' energy: -144.978 flat angles C4'-P-C4' energy: -135.781 flat angles P-C4'-P energy: -74.718 tors. eta vs tors. theta energy: -44.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -880.762292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.762292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.762292 (E_RNA) where: Base-Base interactions energy: -415.044 where: short stacking energy: -263.053 Base-Backbone interact. energy: 4.596 local terms energy: -470.314256 where: bonds (distance) C4'-P energy: -145.371 bonds (distance) P-C4' energy: -149.810 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -41.529 tors. eta vs tors. theta energy: 14.280 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: 285 Temperature: 1.350000 Total energy: -696.897541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.897541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.897541 (E_RNA) where: Base-Base interactions energy: -240.738 where: short stacking energy: -193.768 Base-Backbone interact. energy: 0.614 local terms energy: -456.773879 where: bonds (distance) C4'-P energy: -103.793 bonds (distance) P-C4' energy: -151.913 flat angles C4'-P-C4' energy: -134.422 flat angles P-C4'-P energy: -87.774 tors. eta vs tors. theta energy: 21.128 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: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3074.712021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.712021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.712021 (E_RNA) where: Base-Base interactions energy: -2081.193 where: short stacking energy: -912.819 Base-Backbone interact. energy: 0.703 local terms energy: -994.222367 where: bonds (distance) C4'-P energy: -195.174 bonds (distance) P-C4' energy: -186.564 flat angles C4'-P-C4' energy: -202.599 flat angles P-C4'-P energy: -140.930 tors. eta vs tors. theta energy: -268.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2996.872848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.872848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.872848 (E_RNA) where: Base-Base interactions energy: -2037.291 where: short stacking energy: -845.589 Base-Backbone interact. energy: -1.501 local terms energy: -958.080535 where: bonds (distance) C4'-P energy: -173.565 bonds (distance) P-C4' energy: -189.982 flat angles C4'-P-C4' energy: -200.816 flat angles P-C4'-P energy: -140.246 tors. eta vs tors. theta energy: -253.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2850.046170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.046170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.046170 (E_RNA) where: Base-Base interactions energy: -1949.347 where: short stacking energy: -843.389 Base-Backbone interact. energy: -2.904 local terms energy: -897.795249 where: bonds (distance) C4'-P energy: -168.990 bonds (distance) P-C4' energy: -186.013 flat angles C4'-P-C4' energy: -196.047 flat angles P-C4'-P energy: -122.620 tors. eta vs tors. theta energy: -224.125 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: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2647.280526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.280526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.280526 (E_RNA) where: Base-Base interactions energy: -1784.679 where: short stacking energy: -794.001 Base-Backbone interact. energy: 1.394 local terms energy: -863.995413 where: bonds (distance) C4'-P energy: -179.157 bonds (distance) P-C4' energy: -170.781 flat angles C4'-P-C4' energy: -182.035 flat angles P-C4'-P energy: -107.743 tors. eta vs tors. theta energy: -224.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2362.978048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.978048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.978048 (E_RNA) where: Base-Base interactions energy: -1559.267 where: short stacking energy: -715.127 Base-Backbone interact. energy: -2.369 local terms energy: -801.342102 where: bonds (distance) C4'-P energy: -186.412 bonds (distance) P-C4' energy: -158.469 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -89.105 tors. eta vs tors. theta energy: -197.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2133.396547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.396547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.396547 (E_RNA) where: Base-Base interactions energy: -1389.703 where: short stacking energy: -632.356 Base-Backbone interact. energy: -0.110 local terms energy: -743.583496 where: bonds (distance) C4'-P energy: -149.156 bonds (distance) P-C4' energy: -156.509 flat angles C4'-P-C4' energy: -174.443 flat angles P-C4'-P energy: -105.917 tors. eta vs tors. theta energy: -157.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1657.489192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.489192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.489192 (E_RNA) where: Base-Base interactions energy: -1004.006 where: short stacking energy: -465.146 Base-Backbone interact. energy: 2.167 local terms energy: -655.649880 where: bonds (distance) C4'-P energy: -169.517 bonds (distance) P-C4' energy: -145.674 flat angles C4'-P-C4' energy: -163.976 flat angles P-C4'-P energy: -82.831 tors. eta vs tors. theta energy: -93.651 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: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1196.501672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.501672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.501672 (E_RNA) where: Base-Base interactions energy: -649.046 where: short stacking energy: -337.171 Base-Backbone interact. energy: 4.905 local terms energy: -552.360889 where: bonds (distance) C4'-P energy: -141.542 bonds (distance) P-C4' energy: -148.977 flat angles C4'-P-C4' energy: -151.581 flat angles P-C4'-P energy: -91.263 tors. eta vs tors. theta energy: -18.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -876.667048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.667048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.667048 (E_RNA) where: Base-Base interactions energy: -394.772 where: short stacking energy: -253.061 Base-Backbone interact. energy: -1.433 local terms energy: -480.462343 where: bonds (distance) C4'-P energy: -129.455 bonds (distance) P-C4' energy: -149.313 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -79.298 tors. eta vs tors. theta energy: 22.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -696.335831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.335831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.335831 (E_RNA) where: Base-Base interactions energy: -274.714 where: short stacking energy: -198.361 Base-Backbone interact. energy: 2.844 local terms energy: -424.465919 where: bonds (distance) C4'-P energy: -136.318 bonds (distance) P-C4' energy: -148.727 flat angles C4'-P-C4' energy: -104.483 flat angles P-C4'-P energy: -72.329 tors. eta vs tors. theta energy: 37.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3099.296268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.296268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.296268 (E_RNA) where: Base-Base interactions energy: -2126.870 where: short stacking energy: -902.830 Base-Backbone interact. energy: -4.999 local terms energy: -967.427241 where: bonds (distance) C4'-P energy: -173.429 bonds (distance) P-C4' energy: -185.728 flat angles C4'-P-C4' energy: -213.194 flat angles P-C4'-P energy: -130.227 tors. eta vs tors. theta energy: -264.849 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: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2988.866004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.866004 (E_RNA) where: Base-Base interactions energy: -2005.129 where: short stacking energy: -830.467 Base-Backbone interact. energy: -7.622 local terms energy: -976.115255 where: bonds (distance) C4'-P energy: -177.610 bonds (distance) P-C4' energy: -199.778 flat angles C4'-P-C4' energy: -202.614 flat angles P-C4'-P energy: -153.557 tors. eta vs tors. theta energy: -242.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2855.487223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.487223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.487223 (E_RNA) where: Base-Base interactions energy: -1959.368 where: short stacking energy: -873.927 Base-Backbone interact. energy: 0.625 local terms energy: -896.744985 where: bonds (distance) C4'-P energy: -163.065 bonds (distance) P-C4' energy: -163.616 flat angles C4'-P-C4' energy: -196.259 flat angles P-C4'-P energy: -118.505 tors. eta vs tors. theta energy: -255.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2617.669819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.669819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.669819 (E_RNA) where: Base-Base interactions energy: -1781.325 where: short stacking energy: -786.026 Base-Backbone interact. energy: 4.012 local terms energy: -840.356516 where: bonds (distance) C4'-P energy: -135.339 bonds (distance) P-C4' energy: -158.893 flat angles C4'-P-C4' energy: -196.103 flat angles P-C4'-P energy: -123.502 tors. eta vs tors. theta energy: -226.519 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: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2397.154813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.154813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.154813 (E_RNA) where: Base-Base interactions energy: -1542.206 where: short stacking energy: -674.734 Base-Backbone interact. energy: -5.664 local terms energy: -849.285098 where: bonds (distance) C4'-P energy: -170.515 bonds (distance) P-C4' energy: -170.193 flat angles C4'-P-C4' energy: -183.409 flat angles P-C4'-P energy: -111.733 tors. eta vs tors. theta energy: -213.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2107.578063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.578063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.578063 (E_RNA) where: Base-Base interactions energy: -1369.727 where: short stacking energy: -628.580 Base-Backbone interact. energy: 0.917 local terms energy: -738.768367 where: bonds (distance) C4'-P energy: -161.348 bonds (distance) P-C4' energy: -160.965 flat angles C4'-P-C4' energy: -171.177 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -146.182 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: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1614.609932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.609932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.609932 (E_RNA) where: Base-Base interactions energy: -1006.912 where: short stacking energy: -471.940 Base-Backbone interact. energy: 1.349 local terms energy: -609.046972 where: bonds (distance) C4'-P energy: -142.585 bonds (distance) P-C4' energy: -172.112 flat angles C4'-P-C4' energy: -118.277 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -84.878 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: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1142.469740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.469740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.469740 (E_RNA) where: Base-Base interactions energy: -574.690 where: short stacking energy: -316.489 Base-Backbone interact. energy: 3.421 local terms energy: -571.200244 where: bonds (distance) C4'-P energy: -144.692 bonds (distance) P-C4' energy: -169.278 flat angles C4'-P-C4' energy: -143.228 flat angles P-C4'-P energy: -85.986 tors. eta vs tors. theta energy: -28.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -876.129196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.129196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.129196 (E_RNA) where: Base-Base interactions energy: -365.700 where: short stacking energy: -238.619 Base-Backbone interact. energy: -3.463 local terms energy: -506.966342 where: bonds (distance) C4'-P energy: -157.878 bonds (distance) P-C4' energy: -158.081 flat angles C4'-P-C4' energy: -139.958 flat angles P-C4'-P energy: -68.823 tors. eta vs tors. theta energy: 17.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -686.335516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.335516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.335516 (E_RNA) where: Base-Base interactions energy: -251.699 where: short stacking energy: -206.810 Base-Backbone interact. energy: 5.990 local terms energy: -440.626966 where: bonds (distance) C4'-P energy: -137.617 bonds (distance) P-C4' energy: -136.026 flat angles C4'-P-C4' energy: -121.086 flat angles P-C4'-P energy: -77.260 tors. eta vs tors. theta energy: 31.362 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: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3100.961162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.961162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.961162 (E_RNA) where: Base-Base interactions energy: -2134.529 where: short stacking energy: -912.177 Base-Backbone interact. energy: -2.771 local terms energy: -963.661154 where: bonds (distance) C4'-P energy: -175.455 bonds (distance) P-C4' energy: -173.657 flat angles C4'-P-C4' energy: -211.058 flat angles P-C4'-P energy: -141.361 tors. eta vs tors. theta energy: -262.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2991.141176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.141176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.141176 (E_RNA) where: Base-Base interactions energy: -2054.122 where: short stacking energy: -887.485 Base-Backbone interact. energy: -1.182 local terms energy: -935.837636 where: bonds (distance) C4'-P energy: -166.685 bonds (distance) P-C4' energy: -164.056 flat angles C4'-P-C4' energy: -205.353 flat angles P-C4'-P energy: -147.221 tors. eta vs tors. theta energy: -252.523 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: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2803.947175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.947175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.947175 (E_RNA) where: Base-Base interactions energy: -1893.848 where: short stacking energy: -796.682 Base-Backbone interact. energy: 0.162 local terms energy: -910.262156 where: bonds (distance) C4'-P energy: -178.798 bonds (distance) P-C4' energy: -170.840 flat angles C4'-P-C4' energy: -195.788 flat angles P-C4'-P energy: -137.432 tors. eta vs tors. theta energy: -227.403 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: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2581.182843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.182843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.182843 (E_RNA) where: Base-Base interactions energy: -1745.763 where: short stacking energy: -752.436 Base-Backbone interact. energy: -2.530 local terms energy: -832.890090 where: bonds (distance) C4'-P energy: -154.240 bonds (distance) P-C4' energy: -167.525 flat angles C4'-P-C4' energy: -180.269 flat angles P-C4'-P energy: -106.344 tors. eta vs tors. theta energy: -224.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2402.503569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.503569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.503569 (E_RNA) where: Base-Base interactions energy: -1567.814 where: short stacking energy: -726.704 Base-Backbone interact. energy: -4.200 local terms energy: -830.489239 where: bonds (distance) C4'-P energy: -167.595 bonds (distance) P-C4' energy: -164.953 flat angles C4'-P-C4' energy: -178.628 flat angles P-C4'-P energy: -103.293 tors. eta vs tors. theta energy: -216.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2122.764423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.764423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.764423 (E_RNA) where: Base-Base interactions energy: -1386.530 where: short stacking energy: -622.005 Base-Backbone interact. energy: -3.121 local terms energy: -733.113472 where: bonds (distance) C4'-P energy: -145.139 bonds (distance) P-C4' energy: -143.817 flat angles C4'-P-C4' energy: -170.443 flat angles P-C4'-P energy: -108.414 tors. eta vs tors. theta energy: -165.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1590.175551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.175551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.175551 (E_RNA) where: Base-Base interactions energy: -964.708 where: short stacking energy: -416.580 Base-Backbone interact. energy: 0.486 local terms energy: -625.953948 where: bonds (distance) C4'-P energy: -164.501 bonds (distance) P-C4' energy: -149.169 flat angles C4'-P-C4' energy: -148.140 flat angles P-C4'-P energy: -108.505 tors. eta vs tors. theta energy: -55.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1110.529259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.529259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.529259 (E_RNA) where: Base-Base interactions energy: -550.536 where: short stacking energy: -296.506 Base-Backbone interact. energy: -2.091 local terms energy: -557.901682 where: bonds (distance) C4'-P energy: -150.715 bonds (distance) P-C4' energy: -150.522 flat angles C4'-P-C4' energy: -143.382 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -31.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -841.444250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.444250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.444250 (E_RNA) where: Base-Base interactions energy: -355.514 where: short stacking energy: -231.652 Base-Backbone interact. energy: 0.314 local terms energy: -486.244438 where: bonds (distance) C4'-P energy: -144.014 bonds (distance) P-C4' energy: -145.038 flat angles C4'-P-C4' energy: -110.789 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: 3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -657.227011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.227011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.227011 (E_RNA) where: Base-Base interactions energy: -208.426 where: short stacking energy: -163.304 Base-Backbone interact. energy: 2.423 local terms energy: -451.224037 where: bonds (distance) C4'-P energy: -145.201 bonds (distance) P-C4' energy: -157.410 flat angles C4'-P-C4' energy: -133.984 flat angles P-C4'-P energy: -58.530 tors. eta vs tors. theta energy: 43.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3109.533959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.533959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.533959 (E_RNA) where: Base-Base interactions energy: -2122.014 where: short stacking energy: -909.039 Base-Backbone interact. energy: -7.835 local terms energy: -979.684314 where: bonds (distance) C4'-P energy: -191.714 bonds (distance) P-C4' energy: -192.558 flat angles C4'-P-C4' energy: -194.597 flat angles P-C4'-P energy: -131.063 tors. eta vs tors. theta energy: -269.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2984.076439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.076439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.076439 (E_RNA) where: Base-Base interactions energy: -2049.521 where: short stacking energy: -835.732 Base-Backbone interact. energy: -3.723 local terms energy: -930.832823 where: bonds (distance) C4'-P energy: -159.508 bonds (distance) P-C4' energy: -178.346 flat angles C4'-P-C4' energy: -202.814 flat angles P-C4'-P energy: -145.999 tors. eta vs tors. theta energy: -244.165 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: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2816.165924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.165924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.165924 (E_RNA) where: Base-Base interactions energy: -1890.061 where: short stacking energy: -824.411 Base-Backbone interact. energy: -2.870 local terms energy: -923.235634 where: bonds (distance) C4'-P energy: -174.199 bonds (distance) P-C4' energy: -173.712 flat angles C4'-P-C4' energy: -193.455 flat angles P-C4'-P energy: -147.923 tors. eta vs tors. theta energy: -233.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2628.231336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.231336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.231336 (E_RNA) where: Base-Base interactions energy: -1782.289 where: short stacking energy: -797.350 Base-Backbone interact. energy: -0.457 local terms energy: -845.485462 where: bonds (distance) C4'-P energy: -159.044 bonds (distance) P-C4' energy: -152.856 flat angles C4'-P-C4' energy: -188.356 flat angles P-C4'-P energy: -124.981 tors. eta vs tors. theta energy: -220.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2401.910591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.910591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.910591 (E_RNA) where: Base-Base interactions energy: -1592.078 where: short stacking energy: -726.869 Base-Backbone interact. energy: 2.128 local terms energy: -811.960775 where: bonds (distance) C4'-P energy: -144.126 bonds (distance) P-C4' energy: -178.151 flat angles C4'-P-C4' energy: -178.936 flat angles P-C4'-P energy: -107.686 tors. eta vs tors. theta energy: -203.062 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: 289 Temperature: 1.150000 Total energy: -2125.846111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.846111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.846111 (E_RNA) where: Base-Base interactions energy: -1389.438 where: short stacking energy: -632.409 Base-Backbone interact. energy: 0.025 local terms energy: -736.433244 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -156.610 flat angles C4'-P-C4' energy: -166.309 flat angles P-C4'-P energy: -98.463 tors. eta vs tors. theta energy: -166.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1597.371387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.371387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.371387 (E_RNA) where: Base-Base interactions energy: -980.598 where: short stacking energy: -470.567 Base-Backbone interact. energy: -1.920 local terms energy: -614.853329 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -149.689 flat angles C4'-P-C4' energy: -133.220 flat angles P-C4'-P energy: -93.155 tors. eta vs tors. theta energy: -78.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1105.322729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.322729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.322729 (E_RNA) where: Base-Base interactions energy: -557.286 where: short stacking energy: -303.586 Base-Backbone interact. energy: 0.406 local terms energy: -548.442876 where: bonds (distance) C4'-P energy: -120.372 bonds (distance) P-C4' energy: -166.522 flat angles C4'-P-C4' energy: -147.904 flat angles P-C4'-P energy: -104.303 tors. eta vs tors. theta energy: -9.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -836.800074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.800074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.800074 (E_RNA) where: Base-Base interactions energy: -373.632 where: short stacking energy: -242.284 Base-Backbone interact. energy: 4.217 local terms energy: -467.385078 where: bonds (distance) C4'-P energy: -121.993 bonds (distance) P-C4' energy: -146.443 flat angles C4'-P-C4' energy: -137.380 flat angles P-C4'-P energy: -86.713 tors. eta vs tors. theta energy: 25.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -682.854658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.854658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.854658 (E_RNA) where: Base-Base interactions energy: -255.351 where: short stacking energy: -183.504 Base-Backbone interact. energy: 8.194 local terms energy: -435.698116 where: bonds (distance) C4'-P energy: -133.106 bonds (distance) P-C4' energy: -160.109 flat angles C4'-P-C4' energy: -123.556 flat angles P-C4'-P energy: -66.589 tors. eta vs tors. theta energy: 47.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3085.530922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.530922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.530922 (E_RNA) where: Base-Base interactions energy: -2134.668 where: short stacking energy: -905.087 Base-Backbone interact. energy: -4.423 local terms energy: -946.440231 where: bonds (distance) C4'-P energy: -174.332 bonds (distance) P-C4' energy: -178.873 flat angles C4'-P-C4' energy: -202.556 flat angles P-C4'-P energy: -122.916 tors. eta vs tors. theta energy: -267.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2980.141672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.141672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.141672 (E_RNA) where: Base-Base interactions energy: -2041.314 where: short stacking energy: -851.288 Base-Backbone interact. energy: -1.139 local terms energy: -937.688829 where: bonds (distance) C4'-P energy: -188.544 bonds (distance) P-C4' energy: -179.733 flat angles C4'-P-C4' energy: -179.878 flat angles P-C4'-P energy: -140.513 tors. eta vs tors. theta energy: -249.021 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: 8 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2795.289315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.289315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.289315 (E_RNA) where: Base-Base interactions energy: -1901.798 where: short stacking energy: -805.879 Base-Backbone interact. energy: 2.043 local terms energy: -895.534119 where: bonds (distance) C4'-P energy: -179.387 bonds (distance) P-C4' energy: -152.100 flat angles C4'-P-C4' energy: -203.851 flat angles P-C4'-P energy: -127.730 tors. eta vs tors. theta energy: -232.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2535.073548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.073548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.073548 (E_RNA) where: Base-Base interactions energy: -1709.414 where: short stacking energy: -760.371 Base-Backbone interact. energy: -4.120 local terms energy: -821.539598 where: bonds (distance) C4'-P energy: -163.378 bonds (distance) P-C4' energy: -158.645 flat angles C4'-P-C4' energy: -182.165 flat angles P-C4'-P energy: -114.568 tors. eta vs tors. theta energy: -202.784 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: 290 Temperature: 1.100000 Total energy: -2417.413007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.413007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.413007 (E_RNA) where: Base-Base interactions energy: -1560.158 where: short stacking energy: -709.609 Base-Backbone interact. energy: 1.985 local terms energy: -859.239782 where: bonds (distance) C4'-P energy: -183.118 bonds (distance) P-C4' energy: -161.747 flat angles C4'-P-C4' energy: -177.383 flat angles P-C4'-P energy: -126.279 tors. eta vs tors. theta energy: -210.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2179.070493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.070493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.070493 (E_RNA) where: Base-Base interactions energy: -1429.735 where: short stacking energy: -686.157 Base-Backbone interact. energy: 3.318 local terms energy: -752.653093 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -157.820 flat angles C4'-P-C4' energy: -168.775 flat angles P-C4'-P energy: -110.383 tors. eta vs tors. theta energy: -165.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1589.913553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.913553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.913553 (E_RNA) where: Base-Base interactions energy: -911.045 where: short stacking energy: -432.402 Base-Backbone interact. energy: -2.040 local terms energy: -676.828360 where: bonds (distance) C4'-P energy: -161.291 bonds (distance) P-C4' energy: -160.869 flat angles C4'-P-C4' energy: -170.008 flat angles P-C4'-P energy: -99.049 tors. eta vs tors. theta energy: -85.612 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: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1187.409231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.409231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.409231 (E_RNA) where: Base-Base interactions energy: -656.637 where: short stacking energy: -338.184 Base-Backbone interact. energy: 1.486 local terms energy: -532.258474 where: bonds (distance) C4'-P energy: -150.643 bonds (distance) P-C4' energy: -142.596 flat angles C4'-P-C4' energy: -146.352 flat angles P-C4'-P energy: -86.582 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -782.107446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.107446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.107446 (E_RNA) where: Base-Base interactions energy: -289.487 where: short stacking energy: -208.356 Base-Backbone interact. energy: 3.428 local terms energy: -496.049154 where: bonds (distance) C4'-P energy: -156.096 bonds (distance) P-C4' energy: -144.640 flat angles C4'-P-C4' energy: -129.688 flat angles P-C4'-P energy: -88.387 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: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -690.646505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.646505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.646505 (E_RNA) where: Base-Base interactions energy: -232.362 where: short stacking energy: -170.445 Base-Backbone interact. energy: 3.290 local terms energy: -461.575016 where: bonds (distance) C4'-P energy: -134.777 bonds (distance) P-C4' energy: -160.922 flat angles C4'-P-C4' energy: -108.010 flat angles P-C4'-P energy: -82.927 tors. eta vs tors. theta energy: 25.061 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: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3055.074192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.074192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.074192 (E_RNA) where: Base-Base interactions energy: -2061.062 where: short stacking energy: -888.400 Base-Backbone interact. energy: -5.620 local terms energy: -988.392858 where: bonds (distance) C4'-P energy: -179.977 bonds (distance) P-C4' energy: -176.320 flat angles C4'-P-C4' energy: -216.153 flat angles P-C4'-P energy: -149.070 tors. eta vs tors. theta energy: -266.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2949.762417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.762417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.762417 (E_RNA) where: Base-Base interactions energy: -2024.487 where: short stacking energy: -856.894 Base-Backbone interact. energy: -1.995 local terms energy: -923.280345 where: bonds (distance) C4'-P energy: -151.631 bonds (distance) P-C4' energy: -185.148 flat angles C4'-P-C4' energy: -209.665 flat angles P-C4'-P energy: -149.460 tors. eta vs tors. theta energy: -227.376 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: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2829.552497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.552497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.552497 (E_RNA) where: Base-Base interactions energy: -1914.964 where: short stacking energy: -855.067 Base-Backbone interact. energy: -3.140 local terms energy: -911.448625 where: bonds (distance) C4'-P energy: -159.523 bonds (distance) P-C4' energy: -177.205 flat angles C4'-P-C4' energy: -198.713 flat angles P-C4'-P energy: -133.862 tors. eta vs tors. theta energy: -242.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2581.335005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.335005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.335005 (E_RNA) where: Base-Base interactions energy: -1716.778 where: short stacking energy: -749.498 Base-Backbone interact. energy: 0.932 local terms energy: -865.488531 where: bonds (distance) C4'-P energy: -183.701 bonds (distance) P-C4' energy: -155.748 flat angles C4'-P-C4' energy: -196.435 flat angles P-C4'-P energy: -122.523 tors. eta vs tors. theta energy: -207.080 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: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2425.158211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.158211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.158211 (E_RNA) where: Base-Base interactions energy: -1591.931 where: short stacking energy: -737.535 Base-Backbone interact. energy: -1.409 local terms energy: -831.818521 where: bonds (distance) C4'-P energy: -164.768 bonds (distance) P-C4' energy: -167.115 flat angles C4'-P-C4' energy: -186.162 flat angles P-C4'-P energy: -104.729 tors. eta vs tors. theta energy: -209.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2131.577818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.577818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.577818 (E_RNA) where: Base-Base interactions energy: -1399.618 where: short stacking energy: -597.790 Base-Backbone interact. energy: 2.301 local terms energy: -734.261124 where: bonds (distance) C4'-P energy: -141.950 bonds (distance) P-C4' energy: -158.015 flat angles C4'-P-C4' energy: -173.246 flat angles P-C4'-P energy: -108.729 tors. eta vs tors. theta energy: -152.322 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: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1540.937389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.937389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.937389 (E_RNA) where: Base-Base interactions energy: -918.143 where: short stacking energy: -459.277 Base-Backbone interact. energy: 0.298 local terms energy: -623.092380 where: bonds (distance) C4'-P energy: -153.339 bonds (distance) P-C4' energy: -156.690 flat angles C4'-P-C4' energy: -144.801 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -79.516 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: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1182.942647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.942647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.942647 (E_RNA) where: Base-Base interactions energy: -641.779 where: short stacking energy: -320.825 Base-Backbone interact. energy: -3.969 local terms energy: -537.194757 where: bonds (distance) C4'-P energy: -141.684 bonds (distance) P-C4' energy: -162.280 flat angles C4'-P-C4' energy: -134.507 flat angles P-C4'-P energy: -81.728 tors. eta vs tors. theta energy: -16.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -776.408226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.408226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.408226 (E_RNA) where: Base-Base interactions energy: -301.032 where: short stacking energy: -224.272 Base-Backbone interact. energy: 3.061 local terms energy: -478.437488 where: bonds (distance) C4'-P energy: -154.188 bonds (distance) P-C4' energy: -138.907 flat angles C4'-P-C4' energy: -95.327 flat angles P-C4'-P energy: -81.817 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -783.449671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.449671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.449671 (E_RNA) where: Base-Base interactions energy: -291.044 where: short stacking energy: -211.302 Base-Backbone interact. energy: 4.601 local terms energy: -497.005962 where: bonds (distance) C4'-P energy: -175.707 bonds (distance) P-C4' energy: -166.687 flat angles C4'-P-C4' energy: -101.207 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: 31.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3086.881108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.881108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.881108 (E_RNA) where: Base-Base interactions energy: -2097.716 where: short stacking energy: -919.549 Base-Backbone interact. energy: -4.930 local terms energy: -984.235704 where: bonds (distance) C4'-P energy: -175.243 bonds (distance) P-C4' energy: -180.196 flat angles C4'-P-C4' energy: -208.823 flat angles P-C4'-P energy: -148.355 tors. eta vs tors. theta energy: -271.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2983.617864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.617864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.617864 (E_RNA) where: Base-Base interactions energy: -2043.925 where: short stacking energy: -861.159 Base-Backbone interact. energy: -0.980 local terms energy: -938.712238 where: bonds (distance) C4'-P energy: -162.567 bonds (distance) P-C4' energy: -183.542 flat angles C4'-P-C4' energy: -199.851 flat angles P-C4'-P energy: -143.025 tors. eta vs tors. theta energy: -249.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2836.981696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.981696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.981696 (E_RNA) where: Base-Base interactions energy: -1906.106 where: short stacking energy: -849.225 Base-Backbone interact. energy: -8.138 local terms energy: -922.737469 where: bonds (distance) C4'-P energy: -184.236 bonds (distance) P-C4' energy: -167.885 flat angles C4'-P-C4' energy: -208.066 flat angles P-C4'-P energy: -118.445 tors. eta vs tors. theta energy: -244.106 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: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2608.917035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.917035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.917035 (E_RNA) where: Base-Base interactions energy: -1732.626 where: short stacking energy: -786.480 Base-Backbone interact. energy: 0.601 local terms energy: -876.891710 where: bonds (distance) C4'-P energy: -171.901 bonds (distance) P-C4' energy: -167.943 flat angles C4'-P-C4' energy: -192.398 flat angles P-C4'-P energy: -126.339 tors. eta vs tors. theta energy: -218.311 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: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2421.009465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.009465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.009465 (E_RNA) where: Base-Base interactions energy: -1588.413 where: short stacking energy: -741.449 Base-Backbone interact. energy: -2.388 local terms energy: -830.208279 where: bonds (distance) C4'-P energy: -170.208 bonds (distance) P-C4' energy: -167.359 flat angles C4'-P-C4' energy: -184.126 flat angles P-C4'-P energy: -104.397 tors. eta vs tors. theta energy: -204.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2089.533627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.533627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.533627 (E_RNA) where: Base-Base interactions energy: -1332.831 where: short stacking energy: -582.955 Base-Backbone interact. energy: 0.311 local terms energy: -757.013421 where: bonds (distance) C4'-P energy: -160.579 bonds (distance) P-C4' energy: -179.225 flat angles C4'-P-C4' energy: -166.427 flat angles P-C4'-P energy: -93.513 tors. eta vs tors. theta energy: -157.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1589.613998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.613998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.613998 (E_RNA) where: Base-Base interactions energy: -912.596 where: short stacking energy: -448.178 Base-Backbone interact. energy: 2.930 local terms energy: -679.947604 where: bonds (distance) C4'-P energy: -177.297 bonds (distance) P-C4' energy: -150.074 flat angles C4'-P-C4' energy: -176.143 flat angles P-C4'-P energy: -95.649 tors. eta vs tors. theta energy: -80.785 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: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1129.537217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.537217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.537217 (E_RNA) where: Base-Base interactions energy: -592.850 where: short stacking energy: -325.175 Base-Backbone interact. energy: 5.962 local terms energy: -542.649338 where: bonds (distance) C4'-P energy: -133.718 bonds (distance) P-C4' energy: -155.934 flat angles C4'-P-C4' energy: -139.002 flat angles P-C4'-P energy: -110.631 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -756.968453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.968453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.968453 (E_RNA) where: Base-Base interactions energy: -283.962 where: short stacking energy: -207.375 Base-Backbone interact. energy: 2.704 local terms energy: -475.710623 where: bonds (distance) C4'-P energy: -161.121 bonds (distance) P-C4' energy: -157.552 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -53.659 tors. eta vs tors. theta energy: 14.207 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: 292 Temperature: 1.350000 Total energy: -788.524001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.524001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.524001 (E_RNA) where: Base-Base interactions energy: -306.942 where: short stacking energy: -209.180 Base-Backbone interact. energy: -3.459 local terms energy: -478.122248 where: bonds (distance) C4'-P energy: -152.668 bonds (distance) P-C4' energy: -134.900 flat angles C4'-P-C4' energy: -119.483 flat angles P-C4'-P energy: -86.859 tors. eta vs tors. theta energy: 15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3086.883530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.883530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.883530 (E_RNA) where: Base-Base interactions energy: -2114.819 where: short stacking energy: -915.015 Base-Backbone interact. energy: -3.463 local terms energy: -968.602152 where: bonds (distance) C4'-P energy: -190.031 bonds (distance) P-C4' energy: -186.436 flat angles C4'-P-C4' energy: -200.609 flat angles P-C4'-P energy: -130.549 tors. eta vs tors. theta energy: -260.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2984.457396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.457396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.457396 (E_RNA) where: Base-Base interactions energy: -2045.996 where: short stacking energy: -848.979 Base-Backbone interact. energy: 0.734 local terms energy: -939.194938 where: bonds (distance) C4'-P energy: -166.278 bonds (distance) P-C4' energy: -189.736 flat angles C4'-P-C4' energy: -194.596 flat angles P-C4'-P energy: -145.748 tors. eta vs tors. theta energy: -242.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2768.745262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.745262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.745262 (E_RNA) where: Base-Base interactions energy: -1862.890 where: short stacking energy: -826.140 Base-Backbone interact. energy: 0.617 local terms energy: -906.472218 where: bonds (distance) C4'-P energy: -159.611 bonds (distance) P-C4' energy: -175.793 flat angles C4'-P-C4' energy: -205.996 flat angles P-C4'-P energy: -131.909 tors. eta vs tors. theta energy: -233.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2578.374843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.374843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.374843 (E_RNA) where: Base-Base interactions energy: -1717.469 where: short stacking energy: -766.999 Base-Backbone interact. energy: -1.362 local terms energy: -859.543622 where: bonds (distance) C4'-P energy: -156.973 bonds (distance) P-C4' energy: -170.684 flat angles C4'-P-C4' energy: -198.411 flat angles P-C4'-P energy: -111.265 tors. eta vs tors. theta energy: -222.211 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: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2437.491218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.491218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.491218 (E_RNA) where: Base-Base interactions energy: -1601.445 where: short stacking energy: -738.371 Base-Backbone interact. energy: -3.511 local terms energy: -832.534710 where: bonds (distance) C4'-P energy: -139.189 bonds (distance) P-C4' energy: -165.249 flat angles C4'-P-C4' energy: -194.858 flat angles P-C4'-P energy: -107.887 tors. eta vs tors. theta energy: -225.352 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: 293 Temperature: 1.150000 Total energy: -2086.050415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.050415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.050415 (E_RNA) where: Base-Base interactions energy: -1360.528 where: short stacking energy: -633.059 Base-Backbone interact. energy: -0.104 local terms energy: -725.417688 where: bonds (distance) C4'-P energy: -137.248 bonds (distance) P-C4' energy: -159.744 flat angles C4'-P-C4' energy: -181.712 flat angles P-C4'-P energy: -88.981 tors. eta vs tors. theta energy: -157.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1617.466873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.466873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.466873 (E_RNA) where: Base-Base interactions energy: -972.004 where: short stacking energy: -447.212 Base-Backbone interact. energy: 4.809 local terms energy: -650.271638 where: bonds (distance) C4'-P energy: -168.080 bonds (distance) P-C4' energy: -155.353 flat angles C4'-P-C4' energy: -147.923 flat angles P-C4'-P energy: -87.846 tors. eta vs tors. theta energy: -91.069 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: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1226.686869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.686869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.686869 (E_RNA) where: Base-Base interactions energy: -667.269 where: short stacking energy: -344.160 Base-Backbone interact. energy: -3.252 local terms energy: -556.165702 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -157.983 flat angles C4'-P-C4' energy: -138.186 flat angles P-C4'-P energy: -90.591 tors. eta vs tors. theta energy: -27.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -739.525580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.525580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.525580 (E_RNA) where: Base-Base interactions energy: -251.724 where: short stacking energy: -210.625 Base-Backbone interact. energy: -0.458 local terms energy: -487.343502 where: bonds (distance) C4'-P energy: -134.196 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -129.519 flat angles P-C4'-P energy: -84.237 tors. eta vs tors. theta energy: 15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -718.169850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.169850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.169850 (E_RNA) where: Base-Base interactions energy: -270.782 where: short stacking energy: -194.215 Base-Backbone interact. energy: -3.513 local terms energy: -443.874316 where: bonds (distance) C4'-P energy: -131.591 bonds (distance) P-C4' energy: -153.304 flat angles C4'-P-C4' energy: -126.113 flat angles P-C4'-P energy: -65.507 tors. eta vs tors. theta energy: 32.641 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: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3075.211237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.211237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.211237 (E_RNA) where: Base-Base interactions energy: -2123.283 where: short stacking energy: -878.035 Base-Backbone interact. energy: -6.722 local terms energy: -945.206446 where: bonds (distance) C4'-P energy: -170.895 bonds (distance) P-C4' energy: -186.781 flat angles C4'-P-C4' energy: -198.869 flat angles P-C4'-P energy: -124.794 tors. eta vs tors. theta energy: -263.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -3025.801623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.801623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.801623 (E_RNA) where: Base-Base interactions energy: -2067.656 where: short stacking energy: -888.983 Base-Backbone interact. energy: -1.624 local terms energy: -956.521446 where: bonds (distance) C4'-P energy: -186.106 bonds (distance) P-C4' energy: -179.840 flat angles C4'-P-C4' energy: -196.960 flat angles P-C4'-P energy: -135.824 tors. eta vs tors. theta energy: -257.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2726.539670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.539670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.539670 (E_RNA) where: Base-Base interactions energy: -1827.731 where: short stacking energy: -825.541 Base-Backbone interact. energy: -1.303 local terms energy: -897.505101 where: bonds (distance) C4'-P energy: -171.758 bonds (distance) P-C4' energy: -169.842 flat angles C4'-P-C4' energy: -197.639 flat angles P-C4'-P energy: -125.130 tors. eta vs tors. theta energy: -233.136 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: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2612.578101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.578101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.578101 (E_RNA) where: Base-Base interactions energy: -1753.092 where: short stacking energy: -771.933 Base-Backbone interact. energy: 0.136 local terms energy: -859.622467 where: bonds (distance) C4'-P energy: -151.552 bonds (distance) P-C4' energy: -180.069 flat angles C4'-P-C4' energy: -185.588 flat angles P-C4'-P energy: -127.476 tors. eta vs tors. theta energy: -214.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2426.604378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.604378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.604378 (E_RNA) where: Base-Base interactions energy: -1565.602 where: short stacking energy: -717.848 Base-Backbone interact. energy: -4.394 local terms energy: -856.607669 where: bonds (distance) C4'-P energy: -160.547 bonds (distance) P-C4' energy: -185.089 flat angles C4'-P-C4' energy: -188.927 flat angles P-C4'-P energy: -119.849 tors. eta vs tors. theta energy: -202.196 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: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2021.134344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.134344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.134344 (E_RNA) where: Base-Base interactions energy: -1282.357 where: short stacking energy: -592.420 Base-Backbone interact. energy: 1.744 local terms energy: -740.522259 where: bonds (distance) C4'-P energy: -151.280 bonds (distance) P-C4' energy: -186.519 flat angles C4'-P-C4' energy: -156.885 flat angles P-C4'-P energy: -106.684 tors. eta vs tors. theta energy: -139.154 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: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1704.966369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.966369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.966369 (E_RNA) where: Base-Base interactions energy: -1000.716 where: short stacking energy: -495.944 Base-Backbone interact. energy: 1.943 local terms energy: -706.193489 where: bonds (distance) C4'-P energy: -147.105 bonds (distance) P-C4' energy: -160.814 flat angles C4'-P-C4' energy: -184.451 flat angles P-C4'-P energy: -114.723 tors. eta vs tors. theta energy: -99.101 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: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1211.730283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.730283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.730283 (E_RNA) where: Base-Base interactions energy: -667.443 where: short stacking energy: -355.915 Base-Backbone interact. energy: -4.855 local terms energy: -539.431903 where: bonds (distance) C4'-P energy: -142.582 bonds (distance) P-C4' energy: -134.304 flat angles C4'-P-C4' energy: -133.276 flat angles P-C4'-P energy: -93.137 tors. eta vs tors. theta energy: -36.133 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: 294 Temperature: 1.300000 Total energy: -833.460551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.460551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.460551 (E_RNA) where: Base-Base interactions energy: -333.648 where: short stacking energy: -225.874 Base-Backbone interact. energy: 1.577 local terms energy: -501.389787 where: bonds (distance) C4'-P energy: -138.920 bonds (distance) P-C4' energy: -149.195 flat angles C4'-P-C4' energy: -140.385 flat angles P-C4'-P energy: -79.375 tors. eta vs tors. theta energy: 6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -746.067470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.067470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.067470 (E_RNA) where: Base-Base interactions energy: -289.545 where: short stacking energy: -204.905 Base-Backbone interact. energy: -2.182 local terms energy: -454.340294 where: bonds (distance) C4'-P energy: -145.555 bonds (distance) P-C4' energy: -157.642 flat angles C4'-P-C4' energy: -117.445 flat angles P-C4'-P energy: -60.160 tors. eta vs tors. theta energy: 26.462 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: 295 Temperature: 0.900000 Total energy: -3093.699493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.699493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.699493 (E_RNA) where: Base-Base interactions energy: -2126.134 where: short stacking energy: -896.240 Base-Backbone interact. energy: 0.610 local terms energy: -968.176106 where: bonds (distance) C4'-P energy: -178.361 bonds (distance) P-C4' energy: -190.399 flat angles C4'-P-C4' energy: -210.366 flat angles P-C4'-P energy: -129.442 tors. eta vs tors. theta energy: -259.608 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: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -3006.774598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.774598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.774598 (E_RNA) where: Base-Base interactions energy: -2080.772 where: short stacking energy: -904.091 Base-Backbone interact. energy: -3.843 local terms energy: -922.159593 where: bonds (distance) C4'-P energy: -157.013 bonds (distance) P-C4' energy: -157.900 flat angles C4'-P-C4' energy: -210.550 flat angles P-C4'-P energy: -137.915 tors. eta vs tors. theta energy: -258.781 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2793.713518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.713518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.713518 (E_RNA) where: Base-Base interactions energy: -1885.239 where: short stacking energy: -824.666 Base-Backbone interact. energy: -2.448 local terms energy: -906.026617 where: bonds (distance) C4'-P energy: -169.378 bonds (distance) P-C4' energy: -195.599 flat angles C4'-P-C4' energy: -194.346 flat angles P-C4'-P energy: -115.286 tors. eta vs tors. theta energy: -231.419 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: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2607.397348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.397348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.397348 (E_RNA) where: Base-Base interactions energy: -1786.322 where: short stacking energy: -794.586 Base-Backbone interact. energy: 1.906 local terms energy: -822.981435 where: bonds (distance) C4'-P energy: -162.808 bonds (distance) P-C4' energy: -165.662 flat angles C4'-P-C4' energy: -162.397 flat angles P-C4'-P energy: -117.545 tors. eta vs tors. theta energy: -214.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2402.756840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.756840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.756840 (E_RNA) where: Base-Base interactions energy: -1573.450 where: short stacking energy: -704.829 Base-Backbone interact. energy: -1.833 local terms energy: -827.473174 where: bonds (distance) C4'-P energy: -157.805 bonds (distance) P-C4' energy: -160.511 flat angles C4'-P-C4' energy: -191.077 flat angles P-C4'-P energy: -102.606 tors. eta vs tors. theta energy: -215.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2024.556686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.556686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.556686 (E_RNA) where: Base-Base interactions energy: -1304.354 where: short stacking energy: -603.223 Base-Backbone interact. energy: -3.000 local terms energy: -717.202271 where: bonds (distance) C4'-P energy: -147.343 bonds (distance) P-C4' energy: -150.479 flat angles C4'-P-C4' energy: -167.971 flat angles P-C4'-P energy: -109.360 tors. eta vs tors. theta energy: -142.049 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: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1730.065905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.065905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.065905 (E_RNA) where: Base-Base interactions energy: -1056.515 where: short stacking energy: -496.753 Base-Backbone interact. energy: 4.564 local terms energy: -678.114392 where: bonds (distance) C4'-P energy: -144.077 bonds (distance) P-C4' energy: -170.961 flat angles C4'-P-C4' energy: -151.744 flat angles P-C4'-P energy: -104.819 tors. eta vs tors. theta energy: -106.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1172.158807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.158807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.158807 (E_RNA) where: Base-Base interactions energy: -608.845 where: short stacking energy: -300.974 Base-Backbone interact. energy: -2.639 local terms energy: -560.674794 where: bonds (distance) C4'-P energy: -160.560 bonds (distance) P-C4' energy: -145.188 flat angles C4'-P-C4' energy: -152.502 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -14.511 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: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -864.720129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.720129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.720129 (E_RNA) where: Base-Base interactions energy: -366.648 where: short stacking energy: -228.127 Base-Backbone interact. energy: -3.339 local terms energy: -494.732602 where: bonds (distance) C4'-P energy: -148.161 bonds (distance) P-C4' energy: -171.120 flat angles C4'-P-C4' energy: -104.463 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: 7.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -803.768669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.768669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.768669 (E_RNA) where: Base-Base interactions energy: -381.922 where: short stacking energy: -213.895 Base-Backbone interact. energy: -0.887 local terms energy: -420.959474 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -149.991 flat angles C4'-P-C4' energy: -108.294 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: 34.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3074.469036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.469036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.469036 (E_RNA) where: Base-Base interactions energy: -2116.144 where: short stacking energy: -898.255 Base-Backbone interact. energy: -1.401 local terms energy: -956.923501 where: bonds (distance) C4'-P energy: -179.621 bonds (distance) P-C4' energy: -184.324 flat angles C4'-P-C4' energy: -203.325 flat angles P-C4'-P energy: -135.309 tors. eta vs tors. theta energy: -254.345 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: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3054.292734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.292734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.292734 (E_RNA) where: Base-Base interactions energy: -2067.370 where: short stacking energy: -883.627 Base-Backbone interact. energy: -3.398 local terms energy: -983.524312 where: bonds (distance) C4'-P energy: -178.508 bonds (distance) P-C4' energy: -176.265 flat angles C4'-P-C4' energy: -227.551 flat angles P-C4'-P energy: -132.042 tors. eta vs tors. theta energy: -269.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2816.745179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.745179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.745179 (E_RNA) where: Base-Base interactions energy: -1887.773 where: short stacking energy: -837.669 Base-Backbone interact. energy: -2.804 local terms energy: -926.168105 where: bonds (distance) C4'-P energy: -169.496 bonds (distance) P-C4' energy: -180.064 flat angles C4'-P-C4' energy: -198.909 flat angles P-C4'-P energy: -135.104 tors. eta vs tors. theta energy: -242.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2627.997699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.997699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.997699 (E_RNA) where: Base-Base interactions energy: -1749.052 where: short stacking energy: -781.616 Base-Backbone interact. energy: 0.961 local terms energy: -879.906685 where: bonds (distance) C4'-P energy: -165.690 bonds (distance) P-C4' energy: -171.948 flat angles C4'-P-C4' energy: -182.631 flat angles P-C4'-P energy: -119.330 tors. eta vs tors. theta energy: -240.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2396.879861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.879861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.879861 (E_RNA) where: Base-Base interactions energy: -1577.490 where: short stacking energy: -711.513 Base-Backbone interact. energy: 1.690 local terms energy: -821.079143 where: bonds (distance) C4'-P energy: -164.069 bonds (distance) P-C4' energy: -180.667 flat angles C4'-P-C4' energy: -170.596 flat angles P-C4'-P energy: -118.146 tors. eta vs tors. theta energy: -187.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2049.595573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.595573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.595573 (E_RNA) where: Base-Base interactions energy: -1287.290 where: short stacking energy: -562.272 Base-Backbone interact. energy: 0.320 local terms energy: -762.625577 where: bonds (distance) C4'-P energy: -167.785 bonds (distance) P-C4' energy: -162.605 flat angles C4'-P-C4' energy: -168.439 flat angles P-C4'-P energy: -110.012 tors. eta vs tors. theta energy: -153.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1783.634449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.634449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.634449 (E_RNA) where: Base-Base interactions energy: -1109.545 where: short stacking energy: -485.499 Base-Backbone interact. energy: -4.393 local terms energy: -669.696177 where: bonds (distance) C4'-P energy: -158.380 bonds (distance) P-C4' energy: -181.533 flat angles C4'-P-C4' energy: -150.262 flat angles P-C4'-P energy: -84.164 tors. eta vs tors. theta energy: -95.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1259.720997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.720997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.720997 (E_RNA) where: Base-Base interactions energy: -710.118 where: short stacking energy: -347.631 Base-Backbone interact. energy: -1.988 local terms energy: -547.615288 where: bonds (distance) C4'-P energy: -138.103 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -130.559 flat angles P-C4'-P energy: -96.449 tors. eta vs tors. theta energy: -24.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -938.309652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.309652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.309652 (E_RNA) where: Base-Base interactions energy: -440.563 where: short stacking energy: -268.826 Base-Backbone interact. energy: 4.948 local terms energy: -502.695381 where: bonds (distance) C4'-P energy: -153.666 bonds (distance) P-C4' energy: -135.469 flat angles C4'-P-C4' energy: -130.597 flat angles P-C4'-P energy: -80.540 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -742.092367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.092367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.092367 (E_RNA) where: Base-Base interactions energy: -295.815 where: short stacking energy: -205.692 Base-Backbone interact. energy: 3.792 local terms energy: -450.069659 where: bonds (distance) C4'-P energy: -135.434 bonds (distance) P-C4' energy: -159.304 flat angles C4'-P-C4' energy: -118.940 flat angles P-C4'-P energy: -75.522 tors. eta vs tors. theta energy: 39.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3095.430539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.430539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.430539 (E_RNA) where: Base-Base interactions energy: -2117.508 where: short stacking energy: -902.818 Base-Backbone interact. energy: -2.326 local terms energy: -975.596667 where: bonds (distance) C4'-P energy: -175.226 bonds (distance) P-C4' energy: -193.960 flat angles C4'-P-C4' energy: -213.130 flat angles P-C4'-P energy: -142.531 tors. eta vs tors. theta energy: -250.749 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: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3008.221937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.221937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.221937 (E_RNA) where: Base-Base interactions energy: -2038.516 where: short stacking energy: -895.023 Base-Backbone interact. energy: -3.409 local terms energy: -966.297177 where: bonds (distance) C4'-P energy: -180.722 bonds (distance) P-C4' energy: -177.180 flat angles C4'-P-C4' energy: -199.087 flat angles P-C4'-P energy: -143.820 tors. eta vs tors. theta energy: -265.488 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: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2808.874978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.874978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.874978 (E_RNA) where: Base-Base interactions energy: -1891.786 where: short stacking energy: -828.363 Base-Backbone interact. energy: -0.794 local terms energy: -916.294942 where: bonds (distance) C4'-P energy: -174.926 bonds (distance) P-C4' energy: -174.996 flat angles C4'-P-C4' energy: -201.061 flat angles P-C4'-P energy: -124.115 tors. eta vs tors. theta energy: -241.198 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: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2645.617533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.617533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.617533 (E_RNA) where: Base-Base interactions energy: -1817.746 where: short stacking energy: -798.338 Base-Backbone interact. energy: -2.549 local terms energy: -825.321905 where: bonds (distance) C4'-P energy: -159.024 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -169.418 flat angles P-C4'-P energy: -119.028 tors. eta vs tors. theta energy: -224.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2447.103656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.103656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.103656 (E_RNA) where: Base-Base interactions energy: -1590.624 where: short stacking energy: -712.735 Base-Backbone interact. energy: -2.552 local terms energy: -853.927941 where: bonds (distance) C4'-P energy: -163.129 bonds (distance) P-C4' energy: -173.640 flat angles C4'-P-C4' energy: -182.480 flat angles P-C4'-P energy: -117.761 tors. eta vs tors. theta energy: -216.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2126.180495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.180495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.180495 (E_RNA) where: Base-Base interactions energy: -1347.430 where: short stacking energy: -654.768 Base-Backbone interact. energy: 1.926 local terms energy: -780.675992 where: bonds (distance) C4'-P energy: -151.404 bonds (distance) P-C4' energy: -162.460 flat angles C4'-P-C4' energy: -181.562 flat angles P-C4'-P energy: -119.057 tors. eta vs tors. theta energy: -166.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1635.621769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.621769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.621769 (E_RNA) where: Base-Base interactions energy: -948.070 where: short stacking energy: -456.279 Base-Backbone interact. energy: 10.066 local terms energy: -697.617087 where: bonds (distance) C4'-P energy: -154.994 bonds (distance) P-C4' energy: -165.996 flat angles C4'-P-C4' energy: -173.432 flat angles P-C4'-P energy: -102.004 tors. eta vs tors. theta energy: -101.191 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: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1292.851887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.851887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.851887 (E_RNA) where: Base-Base interactions energy: -706.756 where: short stacking energy: -346.868 Base-Backbone interact. energy: -1.267 local terms energy: -584.828679 where: bonds (distance) C4'-P energy: -150.441 bonds (distance) P-C4' energy: -161.883 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -83.857 tors. eta vs tors. theta energy: -43.270 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -912.215328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.215328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.215328 (E_RNA) where: Base-Base interactions energy: -397.960 where: short stacking energy: -235.176 Base-Backbone interact. energy: 4.825 local terms energy: -519.080227 where: bonds (distance) C4'-P energy: -154.247 bonds (distance) P-C4' energy: -140.895 flat angles C4'-P-C4' energy: -142.111 flat angles P-C4'-P energy: -81.710 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: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -778.410492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.410492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.410492 (E_RNA) where: Base-Base interactions energy: -338.961 where: short stacking energy: -228.193 Base-Backbone interact. energy: 2.626 local terms energy: -442.075337 where: bonds (distance) C4'-P energy: -132.779 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -133.306 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: 21.058 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: 298 Temperature: 0.900000 Total energy: -3071.385025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.385025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.385025 (E_RNA) where: Base-Base interactions energy: -2134.190 where: short stacking energy: -911.597 Base-Backbone interact. energy: -4.432 local terms energy: -932.763469 where: bonds (distance) C4'-P energy: -181.723 bonds (distance) P-C4' energy: -168.178 flat angles C4'-P-C4' energy: -196.785 flat angles P-C4'-P energy: -129.223 tors. eta vs tors. theta energy: -256.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -3005.698780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.698780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.698780 (E_RNA) where: Base-Base interactions energy: -2051.400 where: short stacking energy: -892.832 Base-Backbone interact. energy: -1.100 local terms energy: -953.198617 where: bonds (distance) C4'-P energy: -168.022 bonds (distance) P-C4' energy: -187.436 flat angles C4'-P-C4' energy: -201.974 flat angles P-C4'-P energy: -136.869 tors. eta vs tors. theta energy: -258.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2797.479454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.479454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.479454 (E_RNA) where: Base-Base interactions energy: -1878.954 where: short stacking energy: -833.135 Base-Backbone interact. energy: -2.404 local terms energy: -916.121747 where: bonds (distance) C4'-P energy: -176.831 bonds (distance) P-C4' energy: -169.390 flat angles C4'-P-C4' energy: -194.290 flat angles P-C4'-P energy: -142.714 tors. eta vs tors. theta energy: -232.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2661.724004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.724004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.724004 (E_RNA) where: Base-Base interactions energy: -1787.686 where: short stacking energy: -784.601 Base-Backbone interact. energy: 1.480 local terms energy: -875.518301 where: bonds (distance) C4'-P energy: -160.931 bonds (distance) P-C4' energy: -179.586 flat angles C4'-P-C4' energy: -173.120 flat angles P-C4'-P energy: -123.419 tors. eta vs tors. theta energy: -238.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2406.796926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.796926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.796926 (E_RNA) where: Base-Base interactions energy: -1611.697 where: short stacking energy: -699.968 Base-Backbone interact. energy: 3.321 local terms energy: -798.421275 where: bonds (distance) C4'-P energy: -160.439 bonds (distance) P-C4' energy: -163.526 flat angles C4'-P-C4' energy: -165.384 flat angles P-C4'-P energy: -118.266 tors. eta vs tors. theta energy: -190.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2045.045453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.045453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.045453 (E_RNA) where: Base-Base interactions energy: -1256.600 where: short stacking energy: -601.253 Base-Backbone interact. energy: -3.663 local terms energy: -784.781833 where: bonds (distance) C4'-P energy: -157.279 bonds (distance) P-C4' energy: -164.937 flat angles C4'-P-C4' energy: -175.107 flat angles P-C4'-P energy: -104.071 tors. eta vs tors. theta energy: -183.388 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: 298 Temperature: 1.200000 Total energy: -1657.756934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.756934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.756934 (E_RNA) where: Base-Base interactions energy: -993.652 where: short stacking energy: -488.084 Base-Backbone interact. energy: 1.420 local terms energy: -665.525075 where: bonds (distance) C4'-P energy: -152.188 bonds (distance) P-C4' energy: -172.096 flat angles C4'-P-C4' energy: -155.940 flat angles P-C4'-P energy: -93.266 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: 8, replica: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1323.590323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.590323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.590323 (E_RNA) where: Base-Base interactions energy: -738.419 where: short stacking energy: -398.746 Base-Backbone interact. energy: 1.994 local terms energy: -587.165670 where: bonds (distance) C4'-P energy: -121.518 bonds (distance) P-C4' energy: -160.609 flat angles C4'-P-C4' energy: -150.617 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -60.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -932.881444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.881444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.881444 (E_RNA) where: Base-Base interactions energy: -428.418 where: short stacking energy: -263.334 Base-Backbone interact. energy: -2.862 local terms energy: -501.600947 where: bonds (distance) C4'-P energy: -143.516 bonds (distance) P-C4' energy: -149.610 flat angles C4'-P-C4' energy: -132.363 flat angles P-C4'-P energy: -71.923 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -770.295106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.295106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.295106 (E_RNA) where: Base-Base interactions energy: -302.720 where: short stacking energy: -201.052 Base-Backbone interact. energy: -0.891 local terms energy: -466.683435 where: bonds (distance) C4'-P energy: -125.670 bonds (distance) P-C4' energy: -163.352 flat angles C4'-P-C4' energy: -120.324 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: 27.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3071.315588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.315588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.315588 (E_RNA) where: Base-Base interactions energy: -2123.028 where: short stacking energy: -868.983 Base-Backbone interact. energy: -3.971 local terms energy: -944.317456 where: bonds (distance) C4'-P energy: -168.904 bonds (distance) P-C4' energy: -179.145 flat angles C4'-P-C4' energy: -203.064 flat angles P-C4'-P energy: -152.006 tors. eta vs tors. theta energy: -241.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3001.588830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.588830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.588830 (E_RNA) where: Base-Base interactions energy: -2050.757 where: short stacking energy: -875.754 Base-Backbone interact. energy: -1.101 local terms energy: -949.730239 where: bonds (distance) C4'-P energy: -170.271 bonds (distance) P-C4' energy: -182.867 flat angles C4'-P-C4' energy: -207.244 flat angles P-C4'-P energy: -132.884 tors. eta vs tors. theta energy: -256.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2746.185977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.185977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.185977 (E_RNA) where: Base-Base interactions energy: -1852.993 where: short stacking energy: -835.923 Base-Backbone interact. energy: -4.402 local terms energy: -888.790602 where: bonds (distance) C4'-P energy: -164.342 bonds (distance) P-C4' energy: -164.618 flat angles C4'-P-C4' energy: -201.778 flat angles P-C4'-P energy: -119.342 tors. eta vs tors. theta energy: -238.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2615.272092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.272092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.272092 (E_RNA) where: Base-Base interactions energy: -1746.392 where: short stacking energy: -764.729 Base-Backbone interact. energy: -0.360 local terms energy: -868.520816 where: bonds (distance) C4'-P energy: -171.814 bonds (distance) P-C4' energy: -170.888 flat angles C4'-P-C4' energy: -189.039 flat angles P-C4'-P energy: -132.026 tors. eta vs tors. theta energy: -204.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2370.979584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.979584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.979584 (E_RNA) where: Base-Base interactions energy: -1556.429 where: short stacking energy: -688.410 Base-Backbone interact. energy: -1.895 local terms energy: -812.655623 where: bonds (distance) C4'-P energy: -174.642 bonds (distance) P-C4' energy: -160.532 flat angles C4'-P-C4' energy: -184.579 flat angles P-C4'-P energy: -110.523 tors. eta vs tors. theta energy: -182.379 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: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2057.497782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.497782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.497782 (E_RNA) where: Base-Base interactions energy: -1286.488 where: short stacking energy: -624.877 Base-Backbone interact. energy: -0.041 local terms energy: -770.968799 where: bonds (distance) C4'-P energy: -171.465 bonds (distance) P-C4' energy: -155.197 flat angles C4'-P-C4' energy: -170.882 flat angles P-C4'-P energy: -106.350 tors. eta vs tors. theta energy: -167.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1749.523160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.523160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.523160 (E_RNA) where: Base-Base interactions energy: -1077.015 where: short stacking energy: -486.479 Base-Backbone interact. energy: -4.436 local terms energy: -668.071996 where: bonds (distance) C4'-P energy: -137.677 bonds (distance) P-C4' energy: -152.567 flat angles C4'-P-C4' energy: -170.055 flat angles P-C4'-P energy: -109.202 tors. eta vs tors. theta energy: -98.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1319.685097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.685097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.685097 (E_RNA) where: Base-Base interactions energy: -742.227 where: short stacking energy: -352.895 Base-Backbone interact. energy: 1.057 local terms energy: -578.515801 where: bonds (distance) C4'-P energy: -142.055 bonds (distance) P-C4' energy: -159.303 flat angles C4'-P-C4' energy: -154.649 flat angles P-C4'-P energy: -95.921 tors. eta vs tors. theta energy: -26.588 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: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -858.788827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.788827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.788827 (E_RNA) where: Base-Base interactions energy: -382.437 where: short stacking energy: -223.796 Base-Backbone interact. energy: 4.801 local terms energy: -481.152239 where: bonds (distance) C4'-P energy: -134.430 bonds (distance) P-C4' energy: -146.542 flat angles C4'-P-C4' energy: -140.376 flat angles P-C4'-P energy: -85.235 tors. eta vs tors. theta energy: 25.431 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: 299 Temperature: 1.350000 Total energy: -762.744853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.744853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.744853 (E_RNA) where: Base-Base interactions energy: -325.402 where: short stacking energy: -246.554 Base-Backbone interact. energy: 8.381 local terms energy: -445.724726 where: bonds (distance) C4'-P energy: -122.081 bonds (distance) P-C4' energy: -164.211 flat angles C4'-P-C4' energy: -104.477 flat angles P-C4'-P energy: -73.447 tors. eta vs tors. theta energy: 18.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3100.433094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.433094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.433094 (E_RNA) where: Base-Base interactions energy: -2135.225 where: short stacking energy: -919.769 Base-Backbone interact. energy: -2.633 local terms energy: -962.574551 where: bonds (distance) C4'-P energy: -176.020 bonds (distance) P-C4' energy: -184.513 flat angles C4'-P-C4' energy: -205.910 flat angles P-C4'-P energy: -131.668 tors. eta vs tors. theta energy: -264.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -3039.128083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.128083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.128083 (E_RNA) where: Base-Base interactions energy: -2086.558 where: short stacking energy: -895.627 Base-Backbone interact. energy: 0.337 local terms energy: -952.907140 where: bonds (distance) C4'-P energy: -175.794 bonds (distance) P-C4' energy: -185.668 flat angles C4'-P-C4' energy: -200.096 flat angles P-C4'-P energy: -129.636 tors. eta vs tors. theta energy: -261.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2764.292990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.292990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.292990 (E_RNA) where: Base-Base interactions energy: -1866.292 where: short stacking energy: -813.214 Base-Backbone interact. energy: -3.680 local terms energy: -894.320919 where: bonds (distance) C4'-P energy: -170.286 bonds (distance) P-C4' energy: -160.118 flat angles C4'-P-C4' energy: -189.350 flat angles P-C4'-P energy: -131.635 tors. eta vs tors. theta energy: -242.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2623.775572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.775572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.775572 (E_RNA) where: Base-Base interactions energy: -1779.733 where: short stacking energy: -731.380 Base-Backbone interact. energy: -3.963 local terms energy: -840.079658 where: bonds (distance) C4'-P energy: -144.045 bonds (distance) P-C4' energy: -182.956 flat angles C4'-P-C4' energy: -191.797 flat angles P-C4'-P energy: -114.131 tors. eta vs tors. theta energy: -207.151 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: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2357.145216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.145216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.145216 (E_RNA) where: Base-Base interactions energy: -1564.525 where: short stacking energy: -695.828 Base-Backbone interact. energy: -1.750 local terms energy: -790.869366 where: bonds (distance) C4'-P energy: -155.219 bonds (distance) P-C4' energy: -173.979 flat angles C4'-P-C4' energy: -170.184 flat angles P-C4'-P energy: -112.674 tors. eta vs tors. theta energy: -178.814 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2019.810459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.810459 (E_RNA) where: Base-Base interactions energy: -1295.217 where: short stacking energy: -610.930 Base-Backbone interact. energy: 1.162 local terms energy: -725.755690 where: bonds (distance) C4'-P energy: -159.572 bonds (distance) P-C4' energy: -151.097 flat angles C4'-P-C4' energy: -154.392 flat angles P-C4'-P energy: -108.195 tors. eta vs tors. theta energy: -152.499 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: 7, replica: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1775.832066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.832066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.832066 (E_RNA) where: Base-Base interactions energy: -1103.931 where: short stacking energy: -523.040 Base-Backbone interact. energy: -3.521 local terms energy: -668.380032 where: bonds (distance) C4'-P energy: -157.090 bonds (distance) P-C4' energy: -116.894 flat angles C4'-P-C4' energy: -171.333 flat angles P-C4'-P energy: -119.321 tors. eta vs tors. theta energy: -103.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1279.216375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.216375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.216375 (E_RNA) where: Base-Base interactions energy: -719.412 where: short stacking energy: -332.102 Base-Backbone interact. energy: -0.391 local terms energy: -559.412733 where: bonds (distance) C4'-P energy: -161.770 bonds (distance) P-C4' energy: -179.210 flat angles C4'-P-C4' energy: -116.296 flat angles P-C4'-P energy: -80.046 tors. eta vs tors. theta energy: -22.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -917.895991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.895991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.895991 (E_RNA) where: Base-Base interactions energy: -435.630 where: short stacking energy: -242.450 Base-Backbone interact. energy: -1.410 local terms energy: -480.855460 where: bonds (distance) C4'-P energy: -141.145 bonds (distance) P-C4' energy: -138.510 flat angles C4'-P-C4' energy: -136.454 flat angles P-C4'-P energy: -82.567 tors. eta vs tors. theta energy: 17.821 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: 300 Temperature: 1.350000 Total energy: -752.128151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.128151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.128151 (E_RNA) where: Base-Base interactions energy: -269.123 where: short stacking energy: -194.966 Base-Backbone interact. energy: -4.193 local terms energy: -478.812147 where: bonds (distance) C4'-P energy: -149.616 bonds (distance) P-C4' energy: -143.994 flat angles C4'-P-C4' energy: -141.086 flat angles P-C4'-P energy: -89.467 tors. eta vs tors. theta energy: 45.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3061.915236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.915236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.915236 (E_RNA) where: Base-Base interactions energy: -2103.956 where: short stacking energy: -883.149 Base-Backbone interact. energy: 2.704 local terms energy: -960.662768 where: bonds (distance) C4'-P energy: -168.350 bonds (distance) P-C4' energy: -203.042 flat angles C4'-P-C4' energy: -194.384 flat angles P-C4'-P energy: -136.514 tors. eta vs tors. theta energy: -258.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -3023.986168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.986168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.986168 (E_RNA) where: Base-Base interactions energy: -2066.489 where: short stacking energy: -874.887 Base-Backbone interact. energy: -3.398 local terms energy: -954.099360 where: bonds (distance) C4'-P energy: -179.286 bonds (distance) P-C4' energy: -183.762 flat angles C4'-P-C4' energy: -211.840 flat angles P-C4'-P energy: -125.099 tors. eta vs tors. theta energy: -254.113 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: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2737.963496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.963496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.963496 (E_RNA) where: Base-Base interactions energy: -1834.445 where: short stacking energy: -825.252 Base-Backbone interact. energy: -1.555 local terms energy: -901.963379 where: bonds (distance) C4'-P energy: -156.035 bonds (distance) P-C4' energy: -187.237 flat angles C4'-P-C4' energy: -200.373 flat angles P-C4'-P energy: -119.264 tors. eta vs tors. theta energy: -239.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2592.674999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.674999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.674999 (E_RNA) where: Base-Base interactions energy: -1718.284 where: short stacking energy: -750.873 Base-Backbone interact. energy: -5.034 local terms energy: -869.356612 where: bonds (distance) C4'-P energy: -186.462 bonds (distance) P-C4' energy: -154.587 flat angles C4'-P-C4' energy: -188.625 flat angles P-C4'-P energy: -136.786 tors. eta vs tors. theta energy: -202.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2369.528902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.528902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.528902 (E_RNA) where: Base-Base interactions energy: -1570.875 where: short stacking energy: -679.789 Base-Backbone interact. energy: -2.730 local terms energy: -795.924071 where: bonds (distance) C4'-P energy: -163.855 bonds (distance) P-C4' energy: -146.988 flat angles C4'-P-C4' energy: -207.059 flat angles P-C4'-P energy: -91.846 tors. eta vs tors. theta energy: -186.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2009.236518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.236518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.236518 (E_RNA) where: Base-Base interactions energy: -1263.039 where: short stacking energy: -609.169 Base-Backbone interact. energy: -1.409 local terms energy: -744.788741 where: bonds (distance) C4'-P energy: -158.527 bonds (distance) P-C4' energy: -152.240 flat angles C4'-P-C4' energy: -184.496 flat angles P-C4'-P energy: -88.639 tors. eta vs tors. theta energy: -160.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1710.677303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.677303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.677303 (E_RNA) where: Base-Base interactions energy: -1060.692 where: short stacking energy: -480.127 Base-Backbone interact. energy: -3.105 local terms energy: -646.880329 where: bonds (distance) C4'-P energy: -148.666 bonds (distance) P-C4' energy: -152.580 flat angles C4'-P-C4' energy: -150.319 flat angles P-C4'-P energy: -100.949 tors. eta vs tors. theta energy: -94.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1285.735123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.735123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.735123 (E_RNA) where: Base-Base interactions energy: -714.734 where: short stacking energy: -370.710 Base-Backbone interact. energy: 0.918 local terms energy: -571.918901 where: bonds (distance) C4'-P energy: -140.617 bonds (distance) P-C4' energy: -157.349 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -99.478 tors. eta vs tors. theta energy: -38.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1049.098749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.098749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.098749 (E_RNA) where: Base-Base interactions energy: -544.140 where: short stacking energy: -291.231 Base-Backbone interact. energy: 11.765 local terms energy: -516.724392 where: bonds (distance) C4'-P energy: -139.551 bonds (distance) P-C4' energy: -155.234 flat angles C4'-P-C4' energy: -131.236 flat angles P-C4'-P energy: -73.901 tors. eta vs tors. theta energy: -16.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -709.402626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.402626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.402626 (E_RNA) where: Base-Base interactions energy: -239.337 where: short stacking energy: -159.013 Base-Backbone interact. energy: -0.507 local terms energy: -469.558621 where: bonds (distance) C4'-P energy: -156.604 bonds (distance) P-C4' energy: -141.700 flat angles C4'-P-C4' energy: -115.644 flat angles P-C4'-P energy: -75.743 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: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3086.399815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.399815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.399815 (E_RNA) where: Base-Base interactions energy: -2110.019 where: short stacking energy: -885.392 Base-Backbone interact. energy: -2.058 local terms energy: -974.322850 where: bonds (distance) C4'-P energy: -185.862 bonds (distance) P-C4' energy: -188.671 flat angles C4'-P-C4' energy: -200.407 flat angles P-C4'-P energy: -146.472 tors. eta vs tors. theta energy: -252.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -3046.266560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.266560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.266560 (E_RNA) where: Base-Base interactions energy: -2064.736 where: short stacking energy: -878.063 Base-Backbone interact. energy: -1.217 local terms energy: -980.313343 where: bonds (distance) C4'-P energy: -172.421 bonds (distance) P-C4' energy: -194.824 flat angles C4'-P-C4' energy: -203.367 flat angles P-C4'-P energy: -142.349 tors. eta vs tors. theta energy: -267.352 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: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2820.283416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.283416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.283416 (E_RNA) where: Base-Base interactions energy: -1884.762 where: short stacking energy: -870.531 Base-Backbone interact. energy: -0.394 local terms energy: -935.127553 where: bonds (distance) C4'-P energy: -183.690 bonds (distance) P-C4' energy: -180.676 flat angles C4'-P-C4' energy: -199.832 flat angles P-C4'-P energy: -117.547 tors. eta vs tors. theta energy: -253.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2582.101385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.101385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.101385 (E_RNA) where: Base-Base interactions energy: -1741.710 where: short stacking energy: -732.228 Base-Backbone interact. energy: -4.383 local terms energy: -836.008171 where: bonds (distance) C4'-P energy: -183.893 bonds (distance) P-C4' energy: -158.104 flat angles C4'-P-C4' energy: -173.899 flat angles P-C4'-P energy: -112.627 tors. eta vs tors. theta energy: -207.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2425.419152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.419152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.419152 (E_RNA) where: Base-Base interactions energy: -1601.549 where: short stacking energy: -746.771 Base-Backbone interact. energy: 0.629 local terms energy: -824.499063 where: bonds (distance) C4'-P energy: -160.802 bonds (distance) P-C4' energy: -162.341 flat angles C4'-P-C4' energy: -178.890 flat angles P-C4'-P energy: -105.865 tors. eta vs tors. theta energy: -216.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2087.073895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.073895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.073895 (E_RNA) where: Base-Base interactions energy: -1319.384 where: short stacking energy: -615.741 Base-Backbone interact. energy: -0.098 local terms energy: -767.592416 where: bonds (distance) C4'-P energy: -149.864 bonds (distance) P-C4' energy: -154.930 flat angles C4'-P-C4' energy: -191.556 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -167.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1739.652544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.652544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.652544 (E_RNA) where: Base-Base interactions energy: -1081.959 where: short stacking energy: -494.770 Base-Backbone interact. energy: 0.246 local terms energy: -657.939270 where: bonds (distance) C4'-P energy: -151.399 bonds (distance) P-C4' energy: -136.865 flat angles C4'-P-C4' energy: -160.350 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -103.980 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: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1313.283149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.283149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.283149 (E_RNA) where: Base-Base interactions energy: -733.773 where: short stacking energy: -364.520 Base-Backbone interact. energy: 1.292 local terms energy: -580.802730 where: bonds (distance) C4'-P energy: -163.953 bonds (distance) P-C4' energy: -156.727 flat angles C4'-P-C4' energy: -142.251 flat angles P-C4'-P energy: -78.587 tors. eta vs tors. theta energy: -39.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1025.165671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.165671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.165671 (E_RNA) where: Base-Base interactions energy: -509.581 where: short stacking energy: -286.947 Base-Backbone interact. energy: -3.504 local terms energy: -512.079952 where: bonds (distance) C4'-P energy: -130.091 bonds (distance) P-C4' energy: -157.504 flat angles C4'-P-C4' energy: -129.841 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -766.387050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.387050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.387050 (E_RNA) where: Base-Base interactions energy: -254.001 where: short stacking energy: -169.714 Base-Backbone interact. energy: -1.666 local terms energy: -510.720114 where: bonds (distance) C4'-P energy: -163.122 bonds (distance) P-C4' energy: -158.975 flat angles C4'-P-C4' energy: -115.296 flat angles P-C4'-P energy: -82.923 tors. eta vs tors. theta energy: 9.597 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: 303 Temperature: 0.900000 Total energy: -3072.076281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.076281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.076281 (E_RNA) where: Base-Base interactions energy: -2072.357 where: short stacking energy: -883.319 Base-Backbone interact. energy: -0.777 local terms energy: -998.941835 where: bonds (distance) C4'-P energy: -195.014 bonds (distance) P-C4' energy: -189.702 flat angles C4'-P-C4' energy: -207.700 flat angles P-C4'-P energy: -146.991 tors. eta vs tors. theta energy: -259.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -3083.628083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.628083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.628083 (E_RNA) where: Base-Base interactions energy: -2106.430 where: short stacking energy: -906.575 Base-Backbone interact. energy: -5.129 local terms energy: -972.069346 where: bonds (distance) C4'-P energy: -173.665 bonds (distance) P-C4' energy: -174.961 flat angles C4'-P-C4' energy: -214.095 flat angles P-C4'-P energy: -138.787 tors. eta vs tors. theta energy: -270.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2793.158981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.158981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.158981 (E_RNA) where: Base-Base interactions energy: -1882.119 where: short stacking energy: -841.381 Base-Backbone interact. energy: -3.364 local terms energy: -907.676521 where: bonds (distance) C4'-P energy: -169.482 bonds (distance) P-C4' energy: -165.983 flat angles C4'-P-C4' energy: -205.055 flat angles P-C4'-P energy: -139.737 tors. eta vs tors. theta energy: -227.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2586.349824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.349824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.349824 (E_RNA) where: Base-Base interactions energy: -1760.957 where: short stacking energy: -752.516 Base-Backbone interact. energy: -1.653 local terms energy: -823.739442 where: bonds (distance) C4'-P energy: -167.893 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -188.258 flat angles P-C4'-P energy: -117.096 tors. eta vs tors. theta energy: -199.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2514.502271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.502271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.502271 (E_RNA) where: Base-Base interactions energy: -1644.117 where: short stacking energy: -715.994 Base-Backbone interact. energy: 0.777 local terms energy: -871.162141 where: bonds (distance) C4'-P energy: -164.291 bonds (distance) P-C4' energy: -182.016 flat angles C4'-P-C4' energy: -193.746 flat angles P-C4'-P energy: -121.302 tors. eta vs tors. theta energy: -209.808 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: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2025.204612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.204612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.204612 (E_RNA) where: Base-Base interactions energy: -1296.748 where: short stacking energy: -607.188 Base-Backbone interact. energy: 4.561 local terms energy: -733.017171 where: bonds (distance) C4'-P energy: -149.896 bonds (distance) P-C4' energy: -168.743 flat angles C4'-P-C4' energy: -164.254 flat angles P-C4'-P energy: -100.801 tors. eta vs tors. theta energy: -149.323 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: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1729.814411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.814411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.814411 (E_RNA) where: Base-Base interactions energy: -1094.393 where: short stacking energy: -455.656 Base-Backbone interact. energy: -1.698 local terms energy: -633.723906 where: bonds (distance) C4'-P energy: -122.013 bonds (distance) P-C4' energy: -165.832 flat angles C4'-P-C4' energy: -165.993 flat angles P-C4'-P energy: -106.200 tors. eta vs tors. theta energy: -73.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1262.696716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.696716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.696716 (E_RNA) where: Base-Base interactions energy: -692.104 where: short stacking energy: -343.044 Base-Backbone interact. energy: 1.448 local terms energy: -572.040623 where: bonds (distance) C4'-P energy: -157.342 bonds (distance) P-C4' energy: -151.145 flat angles C4'-P-C4' energy: -146.567 flat angles P-C4'-P energy: -89.165 tors. eta vs tors. theta energy: -27.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -993.459090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.459090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.459090 (E_RNA) where: Base-Base interactions energy: -483.914 where: short stacking energy: -275.978 Base-Backbone interact. energy: 0.305 local terms energy: -509.849319 where: bonds (distance) C4'-P energy: -155.435 bonds (distance) P-C4' energy: -145.589 flat angles C4'-P-C4' energy: -139.618 flat angles P-C4'-P energy: -61.347 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: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -644.638469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.638469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.638469 (E_RNA) where: Base-Base interactions energy: -225.773 where: short stacking energy: -180.622 Base-Backbone interact. energy: 2.706 local terms energy: -421.571776 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -147.028 flat angles C4'-P-C4' energy: -112.235 flat angles P-C4'-P energy: -72.056 tors. eta vs tors. theta energy: 57.754 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: 304 Temperature: 0.900000 Total energy: -3066.228586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.228586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.228586 (E_RNA) where: Base-Base interactions energy: -2102.297 where: short stacking energy: -890.585 Base-Backbone interact. energy: -2.495 local terms energy: -961.436758 where: bonds (distance) C4'-P energy: -173.159 bonds (distance) P-C4' energy: -199.922 flat angles C4'-P-C4' energy: -197.040 flat angles P-C4'-P energy: -143.780 tors. eta vs tors. theta energy: -247.536 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: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -3039.414683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.414683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.414683 (E_RNA) where: Base-Base interactions energy: -2077.063 where: short stacking energy: -889.779 Base-Backbone interact. energy: -2.338 local terms energy: -960.013311 where: bonds (distance) C4'-P energy: -175.099 bonds (distance) P-C4' energy: -180.326 flat angles C4'-P-C4' energy: -211.876 flat angles P-C4'-P energy: -137.066 tors. eta vs tors. theta energy: -255.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2814.334254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.334254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.334254 (E_RNA) where: Base-Base interactions energy: -1913.519 where: short stacking energy: -844.472 Base-Backbone interact. energy: -0.415 local terms energy: -900.400904 where: bonds (distance) C4'-P energy: -152.741 bonds (distance) P-C4' energy: -189.264 flat angles C4'-P-C4' energy: -195.358 flat angles P-C4'-P energy: -113.392 tors. eta vs tors. theta energy: -249.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2569.581454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.581454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.581454 (E_RNA) where: Base-Base interactions energy: -1730.163 where: short stacking energy: -752.643 Base-Backbone interact. energy: -0.226 local terms energy: -839.192784 where: bonds (distance) C4'-P energy: -157.388 bonds (distance) P-C4' energy: -171.503 flat angles C4'-P-C4' energy: -183.316 flat angles P-C4'-P energy: -105.339 tors. eta vs tors. theta energy: -221.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2475.566659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.566659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.566659 (E_RNA) where: Base-Base interactions energy: -1614.891 where: short stacking energy: -738.544 Base-Backbone interact. energy: -0.497 local terms energy: -860.178631 where: bonds (distance) C4'-P energy: -180.432 bonds (distance) P-C4' energy: -169.401 flat angles C4'-P-C4' energy: -182.066 flat angles P-C4'-P energy: -115.246 tors. eta vs tors. theta energy: -213.033 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: 304 Temperature: 1.150000 Total energy: -2080.843089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.843089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.843089 (E_RNA) where: Base-Base interactions energy: -1307.020 where: short stacking energy: -657.306 Base-Backbone interact. energy: -1.397 local terms energy: -772.425943 where: bonds (distance) C4'-P energy: -146.663 bonds (distance) P-C4' energy: -151.347 flat angles C4'-P-C4' energy: -177.624 flat angles P-C4'-P energy: -122.623 tors. eta vs tors. theta energy: -174.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1786.048355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.048355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.048355 (E_RNA) where: Base-Base interactions energy: -1136.639 where: short stacking energy: -512.723 Base-Backbone interact. energy: -0.808 local terms energy: -648.601541 where: bonds (distance) C4'-P energy: -142.720 bonds (distance) P-C4' energy: -154.019 flat angles C4'-P-C4' energy: -175.374 flat angles P-C4'-P energy: -74.051 tors. eta vs tors. theta energy: -102.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1482.024190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.024190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.024190 (E_RNA) where: Base-Base interactions energy: -859.008 where: short stacking energy: -439.776 Base-Backbone interact. energy: 0.384 local terms energy: -623.399987 where: bonds (distance) C4'-P energy: -145.313 bonds (distance) P-C4' energy: -178.168 flat angles C4'-P-C4' energy: -144.072 flat angles P-C4'-P energy: -76.964 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: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -976.542730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.542730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.542730 (E_RNA) where: Base-Base interactions energy: -489.284 where: short stacking energy: -288.312 Base-Backbone interact. energy: 1.867 local terms energy: -489.125406 where: bonds (distance) C4'-P energy: -137.445 bonds (distance) P-C4' energy: -140.430 flat angles C4'-P-C4' energy: -116.729 flat angles P-C4'-P energy: -86.160 tors. eta vs tors. theta energy: -8.362 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: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -689.548625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.548625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.548625 (E_RNA) where: Base-Base interactions energy: -245.983 where: short stacking energy: -200.320 Base-Backbone interact. energy: 1.202 local terms energy: -444.768228 where: bonds (distance) C4'-P energy: -125.540 bonds (distance) P-C4' energy: -163.254 flat angles C4'-P-C4' energy: -123.624 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: 19.197 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3047.994472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.994472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.994472 (E_RNA) where: Base-Base interactions energy: -2073.756 where: short stacking energy: -899.939 Base-Backbone interact. energy: -5.126 local terms energy: -969.112209 where: bonds (distance) C4'-P energy: -193.654 bonds (distance) P-C4' energy: -173.186 flat angles C4'-P-C4' energy: -199.310 flat angles P-C4'-P energy: -139.958 tors. eta vs tors. theta energy: -263.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -3046.094690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.094690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.094690 (E_RNA) where: Base-Base interactions energy: -2088.842 where: short stacking energy: -894.810 Base-Backbone interact. energy: -0.262 local terms energy: -956.990225 where: bonds (distance) C4'-P energy: -170.332 bonds (distance) P-C4' energy: -188.081 flat angles C4'-P-C4' energy: -204.165 flat angles P-C4'-P energy: -142.890 tors. eta vs tors. theta energy: -251.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2786.200114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.200114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.200114 (E_RNA) where: Base-Base interactions energy: -1907.964 where: short stacking energy: -839.498 Base-Backbone interact. energy: -3.731 local terms energy: -874.504631 where: bonds (distance) C4'-P energy: -174.388 bonds (distance) P-C4' energy: -160.626 flat angles C4'-P-C4' energy: -202.162 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -230.285 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: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2611.055545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.055545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.055545 (E_RNA) where: Base-Base interactions energy: -1760.487 where: short stacking energy: -759.435 Base-Backbone interact. energy: 3.672 local terms energy: -854.240323 where: bonds (distance) C4'-P energy: -168.872 bonds (distance) P-C4' energy: -170.604 flat angles C4'-P-C4' energy: -189.384 flat angles P-C4'-P energy: -105.307 tors. eta vs tors. theta energy: -220.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2468.813620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.813620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.813620 (E_RNA) where: Base-Base interactions energy: -1656.897 where: short stacking energy: -768.273 Base-Backbone interact. energy: -2.890 local terms energy: -809.026297 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -187.637 flat angles P-C4'-P energy: -116.232 tors. eta vs tors. theta energy: -204.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2031.440960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.440960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.440960 (E_RNA) where: Base-Base interactions energy: -1270.805 where: short stacking energy: -583.643 Base-Backbone interact. energy: 0.454 local terms energy: -761.090344 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -176.978 flat angles C4'-P-C4' energy: -165.765 flat angles P-C4'-P energy: -112.466 tors. eta vs tors. theta energy: -150.238 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: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1743.604451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.604451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.604451 (E_RNA) where: Base-Base interactions energy: -1076.550 where: short stacking energy: -473.622 Base-Backbone interact. energy: 5.960 local terms energy: -673.015061 where: bonds (distance) C4'-P energy: -148.535 bonds (distance) P-C4' energy: -165.832 flat angles C4'-P-C4' energy: -164.722 flat angles P-C4'-P energy: -100.582 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: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1427.755347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.755347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.755347 (E_RNA) where: Base-Base interactions energy: -843.956 where: short stacking energy: -364.755 Base-Backbone interact. energy: -5.114 local terms energy: -578.685776 where: bonds (distance) C4'-P energy: -141.834 bonds (distance) P-C4' energy: -162.747 flat angles C4'-P-C4' energy: -133.676 flat angles P-C4'-P energy: -96.291 tors. eta vs tors. theta energy: -44.138 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: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -992.557920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.557920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.557920 (E_RNA) where: Base-Base interactions energy: -477.750 where: short stacking energy: -262.997 Base-Backbone interact. energy: 2.872 local terms energy: -517.679933 where: bonds (distance) C4'-P energy: -155.003 bonds (distance) P-C4' energy: -154.428 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: 16.876 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: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -723.999998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.999998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.999998 (E_RNA) where: Base-Base interactions energy: -279.454 where: short stacking energy: -193.578 Base-Backbone interact. energy: 13.759 local terms energy: -458.305390 where: bonds (distance) C4'-P energy: -122.106 bonds (distance) P-C4' energy: -159.760 flat angles C4'-P-C4' energy: -112.351 flat angles P-C4'-P energy: -85.889 tors. eta vs tors. theta energy: 21.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3059.468155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.468155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.468155 (E_RNA) where: Base-Base interactions energy: -2056.865 where: short stacking energy: -857.970 Base-Backbone interact. energy: -1.581 local terms energy: -1001.022348 where: bonds (distance) C4'-P energy: -176.671 bonds (distance) P-C4' energy: -194.589 flat angles C4'-P-C4' energy: -219.630 flat angles P-C4'-P energy: -150.001 tors. eta vs tors. theta energy: -260.131 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: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -3030.315945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.315945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.315945 (E_RNA) where: Base-Base interactions energy: -2088.747 where: short stacking energy: -898.287 Base-Backbone interact. energy: -3.042 local terms energy: -938.526504 where: bonds (distance) C4'-P energy: -158.904 bonds (distance) P-C4' energy: -181.190 flat angles C4'-P-C4' energy: -199.342 flat angles P-C4'-P energy: -145.349 tors. eta vs tors. theta energy: -253.741 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: 306 Temperature: 1.000000 Total energy: -2771.135752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.135752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.135752 (E_RNA) where: Base-Base interactions energy: -1859.199 where: short stacking energy: -798.379 Base-Backbone interact. energy: 3.943 local terms energy: -915.879788 where: bonds (distance) C4'-P energy: -179.690 bonds (distance) P-C4' energy: -176.092 flat angles C4'-P-C4' energy: -205.104 flat angles P-C4'-P energy: -125.780 tors. eta vs tors. theta energy: -229.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2580.100873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.100873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.100873 (E_RNA) where: Base-Base interactions energy: -1743.047 where: short stacking energy: -722.938 Base-Backbone interact. energy: -1.742 local terms energy: -835.311983 where: bonds (distance) C4'-P energy: -171.368 bonds (distance) P-C4' energy: -168.358 flat angles C4'-P-C4' energy: -173.990 flat angles P-C4'-P energy: -119.349 tors. eta vs tors. theta energy: -202.248 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: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2381.218803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.218803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.218803 (E_RNA) where: Base-Base interactions energy: -1562.358 where: short stacking energy: -724.570 Base-Backbone interact. energy: 0.477 local terms energy: -819.337783 where: bonds (distance) C4'-P energy: -164.229 bonds (distance) P-C4' energy: -175.623 flat angles C4'-P-C4' energy: -173.537 flat angles P-C4'-P energy: -97.450 tors. eta vs tors. theta energy: -208.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2052.091144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.091144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.091144 (E_RNA) where: Base-Base interactions energy: -1294.742 where: short stacking energy: -612.158 Base-Backbone interact. energy: -2.194 local terms energy: -755.155236 where: bonds (distance) C4'-P energy: -153.774 bonds (distance) P-C4' energy: -161.277 flat angles C4'-P-C4' energy: -164.214 flat angles P-C4'-P energy: -103.846 tors. eta vs tors. theta energy: -172.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1707.690096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.690096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.690096 (E_RNA) where: Base-Base interactions energy: -1066.865 where: short stacking energy: -508.932 Base-Backbone interact. energy: -1.756 local terms energy: -639.069892 where: bonds (distance) C4'-P energy: -132.070 bonds (distance) P-C4' energy: -174.719 flat angles C4'-P-C4' energy: -142.246 flat angles P-C4'-P energy: -94.770 tors. eta vs tors. theta energy: -95.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1423.064653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.064653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.064653 (E_RNA) where: Base-Base interactions energy: -835.427 where: short stacking energy: -386.893 Base-Backbone interact. energy: -0.973 local terms energy: -586.664958 where: bonds (distance) C4'-P energy: -163.283 bonds (distance) P-C4' energy: -151.403 flat angles C4'-P-C4' energy: -142.681 flat angles P-C4'-P energy: -81.963 tors. eta vs tors. theta energy: -47.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1018.031048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.031048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.031048 (E_RNA) where: Base-Base interactions energy: -489.421 where: short stacking energy: -300.368 Base-Backbone interact. energy: -0.947 local terms energy: -527.663392 where: bonds (distance) C4'-P energy: -130.125 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -115.904 flat angles P-C4'-P energy: -107.837 tors. eta vs tors. theta energy: -13.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -732.893090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.893090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.893090 (E_RNA) where: Base-Base interactions energy: -267.585 where: short stacking energy: -198.309 Base-Backbone interact. energy: 1.052 local terms energy: -466.359508 where: bonds (distance) C4'-P energy: -130.887 bonds (distance) P-C4' energy: -156.283 flat angles C4'-P-C4' energy: -119.794 flat angles P-C4'-P energy: -85.121 tors. eta vs tors. theta energy: 25.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3070.328749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.328749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.328749 (E_RNA) where: Base-Base interactions energy: -2115.997 where: short stacking energy: -882.312 Base-Backbone interact. energy: -5.173 local terms energy: -949.158459 where: bonds (distance) C4'-P energy: -166.951 bonds (distance) P-C4' energy: -177.206 flat angles C4'-P-C4' energy: -209.009 flat angles P-C4'-P energy: -140.755 tors. eta vs tors. theta energy: -255.238 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: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -3002.003277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.003277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.003277 (E_RNA) where: Base-Base interactions energy: -2035.694 where: short stacking energy: -861.317 Base-Backbone interact. energy: -4.780 local terms energy: -961.528835 where: bonds (distance) C4'-P energy: -175.395 bonds (distance) P-C4' energy: -176.959 flat angles C4'-P-C4' energy: -218.557 flat angles P-C4'-P energy: -130.075 tors. eta vs tors. theta energy: -260.544 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: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2778.079499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.079499 (E_RNA) where: Base-Base interactions energy: -1883.917 where: short stacking energy: -828.704 Base-Backbone interact. energy: 2.023 local terms energy: -896.186231 where: bonds (distance) C4'-P energy: -181.829 bonds (distance) P-C4' energy: -167.275 flat angles C4'-P-C4' energy: -192.533 flat angles P-C4'-P energy: -120.341 tors. eta vs tors. theta energy: -234.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2622.036751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.036751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.036751 (E_RNA) where: Base-Base interactions energy: -1782.442 where: short stacking energy: -756.207 Base-Backbone interact. energy: -3.817 local terms energy: -835.776989 where: bonds (distance) C4'-P energy: -166.207 bonds (distance) P-C4' energy: -168.840 flat angles C4'-P-C4' energy: -180.062 flat angles P-C4'-P energy: -106.788 tors. eta vs tors. theta energy: -213.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2434.671192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.671192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.671192 (E_RNA) where: Base-Base interactions energy: -1609.336 where: short stacking energy: -757.349 Base-Backbone interact. energy: 1.666 local terms energy: -827.001991 where: bonds (distance) C4'-P energy: -145.892 bonds (distance) P-C4' energy: -145.606 flat angles C4'-P-C4' energy: -190.946 flat angles P-C4'-P energy: -124.282 tors. eta vs tors. theta energy: -220.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2045.888421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.888421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.888421 (E_RNA) where: Base-Base interactions energy: -1278.647 where: short stacking energy: -606.021 Base-Backbone interact. energy: 1.332 local terms energy: -768.573526 where: bonds (distance) C4'-P energy: -167.180 bonds (distance) P-C4' energy: -175.266 flat angles C4'-P-C4' energy: -188.687 flat angles P-C4'-P energy: -86.945 tors. eta vs tors. theta energy: -150.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1707.167484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.167484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.167484 (E_RNA) where: Base-Base interactions energy: -1069.834 where: short stacking energy: -474.546 Base-Backbone interact. energy: -0.457 local terms energy: -636.876244 where: bonds (distance) C4'-P energy: -160.504 bonds (distance) P-C4' energy: -142.863 flat angles C4'-P-C4' energy: -159.139 flat angles P-C4'-P energy: -102.950 tors. eta vs tors. theta energy: -71.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1426.249613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.249613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.249613 (E_RNA) where: Base-Base interactions energy: -820.111 where: short stacking energy: -418.919 Base-Backbone interact. energy: 1.542 local terms energy: -607.680626 where: bonds (distance) C4'-P energy: -158.658 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -149.837 flat angles P-C4'-P energy: -87.745 tors. eta vs tors. theta energy: -60.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1014.259504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.259504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.259504 (E_RNA) where: Base-Base interactions energy: -494.965 where: short stacking energy: -275.015 Base-Backbone interact. energy: -1.117 local terms energy: -518.176797 where: bonds (distance) C4'-P energy: -149.296 bonds (distance) P-C4' energy: -138.866 flat angles C4'-P-C4' energy: -141.871 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -1.421 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: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -682.652400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.652400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.652400 (E_RNA) where: Base-Base interactions energy: -234.897 where: short stacking energy: -184.585 Base-Backbone interact. energy: -0.122 local terms energy: -447.633617 where: bonds (distance) C4'-P energy: -149.124 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -111.923 flat angles P-C4'-P energy: -73.755 tors. eta vs tors. theta energy: 24.723 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: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3091.471271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.471271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.471271 (E_RNA) where: Base-Base interactions energy: -2129.455 where: short stacking energy: -875.570 Base-Backbone interact. energy: -0.194 local terms energy: -961.822880 where: bonds (distance) C4'-P energy: -179.634 bonds (distance) P-C4' energy: -175.762 flat angles C4'-P-C4' energy: -219.404 flat angles P-C4'-P energy: -134.073 tors. eta vs tors. theta energy: -252.951 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: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -3004.722947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.722947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.722947 (E_RNA) where: Base-Base interactions energy: -2069.904 where: short stacking energy: -899.001 Base-Backbone interact. energy: -1.566 local terms energy: -933.253583 where: bonds (distance) C4'-P energy: -155.401 bonds (distance) P-C4' energy: -182.158 flat angles C4'-P-C4' energy: -209.755 flat angles P-C4'-P energy: -133.840 tors. eta vs tors. theta energy: -252.100 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: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2733.878064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.878064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.878064 (E_RNA) where: Base-Base interactions energy: -1865.580 where: short stacking energy: -819.066 Base-Backbone interact. energy: 7.411 local terms energy: -875.708707 where: bonds (distance) C4'-P energy: -151.779 bonds (distance) P-C4' energy: -189.532 flat angles C4'-P-C4' energy: -179.134 flat angles P-C4'-P energy: -117.750 tors. eta vs tors. theta energy: -237.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2655.020986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.020986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.020986 (E_RNA) where: Base-Base interactions energy: -1790.000 where: short stacking energy: -753.329 Base-Backbone interact. energy: -7.006 local terms energy: -858.014937 where: bonds (distance) C4'-P energy: -164.233 bonds (distance) P-C4' energy: -165.225 flat angles C4'-P-C4' energy: -184.491 flat angles P-C4'-P energy: -126.173 tors. eta vs tors. theta energy: -217.893 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: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2423.920889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.920889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.920889 (E_RNA) where: Base-Base interactions energy: -1609.002 where: short stacking energy: -713.738 Base-Backbone interact. energy: -5.809 local terms energy: -809.109983 where: bonds (distance) C4'-P energy: -164.832 bonds (distance) P-C4' energy: -164.041 flat angles C4'-P-C4' energy: -190.842 flat angles P-C4'-P energy: -94.958 tors. eta vs tors. theta energy: -194.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2010.823466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.823466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.823466 (E_RNA) where: Base-Base interactions energy: -1259.202 where: short stacking energy: -594.821 Base-Backbone interact. energy: -3.796 local terms energy: -747.825447 where: bonds (distance) C4'-P energy: -150.106 bonds (distance) P-C4' energy: -168.792 flat angles C4'-P-C4' energy: -170.043 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -159.195 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: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1756.189280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.189280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.189280 (E_RNA) where: Base-Base interactions energy: -1086.751 where: short stacking energy: -483.528 Base-Backbone interact. energy: -1.711 local terms energy: -667.727248 where: bonds (distance) C4'-P energy: -151.236 bonds (distance) P-C4' energy: -166.982 flat angles C4'-P-C4' energy: -170.813 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -89.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1403.567646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.567646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.567646 (E_RNA) where: Base-Base interactions energy: -777.028 where: short stacking energy: -372.414 Base-Backbone interact. energy: -4.783 local terms energy: -621.756104 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -166.564 flat angles C4'-P-C4' energy: -129.404 flat angles P-C4'-P energy: -94.250 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: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1022.965753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.965753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.965753 (E_RNA) where: Base-Base interactions energy: -518.946 where: short stacking energy: -291.576 Base-Backbone interact. energy: 5.489 local terms energy: -509.508681 where: bonds (distance) C4'-P energy: -124.053 bonds (distance) P-C4' energy: -168.170 flat angles C4'-P-C4' energy: -114.351 flat angles P-C4'-P energy: -98.101 tors. eta vs tors. theta energy: -4.834 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: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -676.320306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.320306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.320306 (E_RNA) where: Base-Base interactions energy: -223.046 where: short stacking energy: -190.049 Base-Backbone interact. energy: 6.799 local terms energy: -460.073641 where: bonds (distance) C4'-P energy: -124.711 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -124.573 flat angles P-C4'-P energy: -82.162 tors. eta vs tors. theta energy: 32.226 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: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3115.553513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.553513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.553513 (E_RNA) where: Base-Base interactions energy: -2133.100 where: short stacking energy: -880.764 Base-Backbone interact. energy: -4.101 local terms energy: -978.352925 where: bonds (distance) C4'-P energy: -180.088 bonds (distance) P-C4' energy: -187.866 flat angles C4'-P-C4' energy: -207.310 flat angles P-C4'-P energy: -146.507 tors. eta vs tors. theta energy: -256.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -3046.061290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.061290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.061290 (E_RNA) where: Base-Base interactions energy: -2082.226 where: short stacking energy: -912.476 Base-Backbone interact. energy: -1.099 local terms energy: -962.736454 where: bonds (distance) C4'-P energy: -172.984 bonds (distance) P-C4' energy: -186.184 flat angles C4'-P-C4' energy: -206.557 flat angles P-C4'-P energy: -131.230 tors. eta vs tors. theta energy: -265.781 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: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2729.129611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.129611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.129611 (E_RNA) where: Base-Base interactions energy: -1837.946 where: short stacking energy: -810.455 Base-Backbone interact. energy: 1.501 local terms energy: -892.683927 where: bonds (distance) C4'-P energy: -177.816 bonds (distance) P-C4' energy: -174.989 flat angles C4'-P-C4' energy: -192.579 flat angles P-C4'-P energy: -123.777 tors. eta vs tors. theta energy: -223.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2623.244051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.244051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.244051 (E_RNA) where: Base-Base interactions energy: -1750.395 where: short stacking energy: -765.923 Base-Backbone interact. energy: -1.316 local terms energy: -871.533157 where: bonds (distance) C4'-P energy: -156.815 bonds (distance) P-C4' energy: -181.814 flat angles C4'-P-C4' energy: -188.400 flat angles P-C4'-P energy: -120.980 tors. eta vs tors. theta energy: -223.524 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: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2472.510433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.510433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.510433 (E_RNA) where: Base-Base interactions energy: -1633.445 where: short stacking energy: -742.344 Base-Backbone interact. energy: -2.156 local terms energy: -836.909582 where: bonds (distance) C4'-P energy: -152.933 bonds (distance) P-C4' energy: -174.398 flat angles C4'-P-C4' energy: -183.582 flat angles P-C4'-P energy: -108.777 tors. eta vs tors. theta energy: -217.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2040.909381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.909381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.909381 (E_RNA) where: Base-Base interactions energy: -1307.475 where: short stacking energy: -622.034 Base-Backbone interact. energy: 3.281 local terms energy: -736.715131 where: bonds (distance) C4'-P energy: -142.226 bonds (distance) P-C4' energy: -162.924 flat angles C4'-P-C4' energy: -173.353 flat angles P-C4'-P energy: -100.474 tors. eta vs tors. theta energy: -157.738 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: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1745.712420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.712420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.712420 (E_RNA) where: Base-Base interactions energy: -1048.213 where: short stacking energy: -480.707 Base-Backbone interact. energy: -2.748 local terms energy: -694.751316 where: bonds (distance) C4'-P energy: -174.267 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -160.887 flat angles P-C4'-P energy: -97.267 tors. eta vs tors. theta energy: -94.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1376.020478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.020478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.020478 (E_RNA) where: Base-Base interactions energy: -820.760 where: short stacking energy: -351.509 Base-Backbone interact. energy: -1.740 local terms energy: -553.520868 where: bonds (distance) C4'-P energy: -126.546 bonds (distance) P-C4' energy: -160.747 flat angles C4'-P-C4' energy: -151.550 flat angles P-C4'-P energy: -93.685 tors. eta vs tors. theta energy: -20.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1052.870254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.870254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.870254 (E_RNA) where: Base-Base interactions energy: -508.241 where: short stacking energy: -281.900 Base-Backbone interact. energy: -0.689 local terms energy: -543.940433 where: bonds (distance) C4'-P energy: -152.204 bonds (distance) P-C4' energy: -161.825 flat angles C4'-P-C4' energy: -135.045 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -19.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -660.238969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.238969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.238969 (E_RNA) where: Base-Base interactions energy: -235.703 where: short stacking energy: -196.828 Base-Backbone interact. energy: 2.250 local terms energy: -426.786074 where: bonds (distance) C4'-P energy: -161.863 bonds (distance) P-C4' energy: -138.984 flat angles C4'-P-C4' energy: -100.564 flat angles P-C4'-P energy: -65.147 tors. eta vs tors. theta energy: 39.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3035.080981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.080981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.080981 (E_RNA) where: Base-Base interactions energy: -2022.751 where: short stacking energy: -871.992 Base-Backbone interact. energy: -0.534 local terms energy: -1011.795373 where: bonds (distance) C4'-P energy: -191.749 bonds (distance) P-C4' energy: -201.307 flat angles C4'-P-C4' energy: -213.198 flat angles P-C4'-P energy: -151.546 tors. eta vs tors. theta energy: -253.995 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: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2985.532694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.532694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.532694 (E_RNA) where: Base-Base interactions energy: -2044.432 where: short stacking energy: -906.955 Base-Backbone interact. energy: -3.279 local terms energy: -937.821721 where: bonds (distance) C4'-P energy: -179.966 bonds (distance) P-C4' energy: -171.492 flat angles C4'-P-C4' energy: -193.883 flat angles P-C4'-P energy: -126.920 tors. eta vs tors. theta energy: -265.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2739.220704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.220704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.220704 (E_RNA) where: Base-Base interactions energy: -1847.644 where: short stacking energy: -778.249 Base-Backbone interact. energy: -0.705 local terms energy: -890.871140 where: bonds (distance) C4'-P energy: -155.827 bonds (distance) P-C4' energy: -181.253 flat angles C4'-P-C4' energy: -206.215 flat angles P-C4'-P energy: -121.039 tors. eta vs tors. theta energy: -226.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2644.412101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.412101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.412101 (E_RNA) where: Base-Base interactions energy: -1804.423 where: short stacking energy: -763.329 Base-Backbone interact. energy: 2.858 local terms energy: -842.847329 where: bonds (distance) C4'-P energy: -162.485 bonds (distance) P-C4' energy: -162.744 flat angles C4'-P-C4' energy: -184.381 flat angles P-C4'-P energy: -107.980 tors. eta vs tors. theta energy: -225.256 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: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2361.623556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.623556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.623556 (E_RNA) where: Base-Base interactions energy: -1529.704 where: short stacking energy: -704.693 Base-Backbone interact. energy: 2.533 local terms energy: -834.452609 where: bonds (distance) C4'-P energy: -178.556 bonds (distance) P-C4' energy: -172.932 flat angles C4'-P-C4' energy: -163.234 flat angles P-C4'-P energy: -123.060 tors. eta vs tors. theta energy: -196.671 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: 310 Temperature: 1.150000 Total energy: -2221.649592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.649592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.649592 (E_RNA) where: Base-Base interactions energy: -1454.024 where: short stacking energy: -658.631 Base-Backbone interact. energy: -0.059 local terms energy: -767.566897 where: bonds (distance) C4'-P energy: -161.797 bonds (distance) P-C4' energy: -165.464 flat angles C4'-P-C4' energy: -187.228 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -164.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1839.027562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.027562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.027562 (E_RNA) where: Base-Base interactions energy: -1181.596 where: short stacking energy: -528.970 Base-Backbone interact. energy: 0.349 local terms energy: -657.780785 where: bonds (distance) C4'-P energy: -117.609 bonds (distance) P-C4' energy: -165.436 flat angles C4'-P-C4' energy: -158.505 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -112.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1299.403965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.403965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.403965 (E_RNA) where: Base-Base interactions energy: -691.591 where: short stacking energy: -345.750 Base-Backbone interact. energy: -1.344 local terms energy: -606.469096 where: bonds (distance) C4'-P energy: -146.336 bonds (distance) P-C4' energy: -174.584 flat angles C4'-P-C4' energy: -152.401 flat angles P-C4'-P energy: -85.880 tors. eta vs tors. theta energy: -47.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1148.416494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.416494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.416494 (E_RNA) where: Base-Base interactions energy: -621.579 where: short stacking energy: -320.052 Base-Backbone interact. energy: -2.628 local terms energy: -524.209380 where: bonds (distance) C4'-P energy: -150.350 bonds (distance) P-C4' energy: -158.666 flat angles C4'-P-C4' energy: -130.319 flat angles P-C4'-P energy: -68.297 tors. eta vs tors. theta energy: -16.577 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: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -688.793414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.793414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.793414 (E_RNA) where: Base-Base interactions energy: -253.896 where: short stacking energy: -184.465 Base-Backbone interact. energy: 1.507 local terms energy: -436.404737 where: bonds (distance) C4'-P energy: -143.393 bonds (distance) P-C4' energy: -119.934 flat angles C4'-P-C4' energy: -130.946 flat angles P-C4'-P energy: -80.459 tors. eta vs tors. theta energy: 38.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3079.180977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.180977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.180977 (E_RNA) where: Base-Base interactions energy: -2108.430 where: short stacking energy: -885.710 Base-Backbone interact. energy: -0.711 local terms energy: -970.040371 where: bonds (distance) C4'-P energy: -178.649 bonds (distance) P-C4' energy: -189.967 flat angles C4'-P-C4' energy: -202.413 flat angles P-C4'-P energy: -150.265 tors. eta vs tors. theta energy: -248.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2976.652522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.652522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.652522 (E_RNA) where: Base-Base interactions energy: -2009.259 where: short stacking energy: -889.723 Base-Backbone interact. energy: -1.949 local terms energy: -965.444694 where: bonds (distance) C4'-P energy: -174.881 bonds (distance) P-C4' energy: -184.612 flat angles C4'-P-C4' energy: -199.514 flat angles P-C4'-P energy: -132.854 tors. eta vs tors. theta energy: -273.583 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: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2756.175523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.175523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.175523 (E_RNA) where: Base-Base interactions energy: -1856.677 where: short stacking energy: -782.073 Base-Backbone interact. energy: -1.813 local terms energy: -897.685229 where: bonds (distance) C4'-P energy: -169.701 bonds (distance) P-C4' energy: -186.100 flat angles C4'-P-C4' energy: -182.250 flat angles P-C4'-P energy: -131.233 tors. eta vs tors. theta energy: -228.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2547.904899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.904899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.904899 (E_RNA) where: Base-Base interactions energy: -1701.701 where: short stacking energy: -746.790 Base-Backbone interact. energy: 6.521 local terms energy: -852.724914 where: bonds (distance) C4'-P energy: -137.940 bonds (distance) P-C4' energy: -173.202 flat angles C4'-P-C4' energy: -191.957 flat angles P-C4'-P energy: -119.571 tors. eta vs tors. theta energy: -230.054 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: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2388.547260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.547260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.547260 (E_RNA) where: Base-Base interactions energy: -1579.550 where: short stacking energy: -724.537 Base-Backbone interact. energy: -2.564 local terms energy: -806.433447 where: bonds (distance) C4'-P energy: -155.128 bonds (distance) P-C4' energy: -160.028 flat angles C4'-P-C4' energy: -157.906 flat angles P-C4'-P energy: -129.628 tors. eta vs tors. theta energy: -203.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2145.942243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.942243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.942243 (E_RNA) where: Base-Base interactions energy: -1343.678 where: short stacking energy: -638.148 Base-Backbone interact. energy: 1.894 local terms energy: -804.158108 where: bonds (distance) C4'-P energy: -158.262 bonds (distance) P-C4' energy: -179.555 flat angles C4'-P-C4' energy: -181.823 flat angles P-C4'-P energy: -117.215 tors. eta vs tors. theta energy: -167.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1799.200100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.200100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.200100 (E_RNA) where: Base-Base interactions energy: -1140.141 where: short stacking energy: -518.605 Base-Backbone interact. energy: -1.035 local terms energy: -658.023947 where: bonds (distance) C4'-P energy: -150.909 bonds (distance) P-C4' energy: -160.329 flat angles C4'-P-C4' energy: -171.786 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -108.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1295.175768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.175768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.175768 (E_RNA) where: Base-Base interactions energy: -745.796 where: short stacking energy: -369.399 Base-Backbone interact. energy: -1.629 local terms energy: -547.750228 where: bonds (distance) C4'-P energy: -139.816 bonds (distance) P-C4' energy: -154.243 flat angles C4'-P-C4' energy: -150.781 flat angles P-C4'-P energy: -71.430 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: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1078.205220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.205220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.205220 (E_RNA) where: Base-Base interactions energy: -566.147 where: short stacking energy: -293.656 Base-Backbone interact. energy: 6.459 local terms energy: -518.517490 where: bonds (distance) C4'-P energy: -154.378 bonds (distance) P-C4' energy: -163.632 flat angles C4'-P-C4' energy: -136.514 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: 11.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -704.528589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.528589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.528589 (E_RNA) where: Base-Base interactions energy: -258.823 where: short stacking energy: -189.697 Base-Backbone interact. energy: 0.447 local terms energy: -446.152951 where: bonds (distance) C4'-P energy: -139.776 bonds (distance) P-C4' energy: -139.896 flat angles C4'-P-C4' energy: -121.580 flat angles P-C4'-P energy: -78.582 tors. eta vs tors. theta energy: 33.681 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: 312 Temperature: 0.900000 Total energy: -3086.425117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.425117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.425117 (E_RNA) where: Base-Base interactions energy: -2085.079 where: short stacking energy: -877.489 Base-Backbone interact. energy: -3.315 local terms energy: -998.030877 where: bonds (distance) C4'-P energy: -189.053 bonds (distance) P-C4' energy: -193.518 flat angles C4'-P-C4' energy: -206.356 flat angles P-C4'-P energy: -146.169 tors. eta vs tors. theta energy: -262.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -3012.163693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.163693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.163693 (E_RNA) where: Base-Base interactions energy: -2034.690 where: short stacking energy: -910.602 Base-Backbone interact. energy: -2.041 local terms energy: -975.431884 where: bonds (distance) C4'-P energy: -193.665 bonds (distance) P-C4' energy: -173.810 flat angles C4'-P-C4' energy: -198.773 flat angles P-C4'-P energy: -134.809 tors. eta vs tors. theta energy: -274.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2800.641935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.641935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.641935 (E_RNA) where: Base-Base interactions energy: -1904.340 where: short stacking energy: -790.509 Base-Backbone interact. energy: 0.885 local terms energy: -897.186472 where: bonds (distance) C4'-P energy: -173.257 bonds (distance) P-C4' energy: -177.027 flat angles C4'-P-C4' energy: -190.621 flat angles P-C4'-P energy: -132.359 tors. eta vs tors. theta energy: -223.923 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: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2593.893594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.893594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.893594 (E_RNA) where: Base-Base interactions energy: -1700.064 where: short stacking energy: -791.130 Base-Backbone interact. energy: 0.923 local terms energy: -894.752918 where: bonds (distance) C4'-P energy: -165.886 bonds (distance) P-C4' energy: -179.546 flat angles C4'-P-C4' energy: -193.733 flat angles P-C4'-P energy: -132.875 tors. eta vs tors. theta energy: -222.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2403.087377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.087377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.087377 (E_RNA) where: Base-Base interactions energy: -1562.989 where: short stacking energy: -729.454 Base-Backbone interact. energy: -1.347 local terms energy: -838.752056 where: bonds (distance) C4'-P energy: -161.520 bonds (distance) P-C4' energy: -177.589 flat angles C4'-P-C4' energy: -187.206 flat angles P-C4'-P energy: -104.231 tors. eta vs tors. theta energy: -208.206 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: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2111.828439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.828439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.828439 (E_RNA) where: Base-Base interactions energy: -1360.434 where: short stacking energy: -639.322 Base-Backbone interact. energy: -0.828 local terms energy: -750.566340 where: bonds (distance) C4'-P energy: -164.921 bonds (distance) P-C4' energy: -143.866 flat angles C4'-P-C4' energy: -167.845 flat angles P-C4'-P energy: -104.800 tors. eta vs tors. theta energy: -169.134 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: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1831.269167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.269167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.269167 (E_RNA) where: Base-Base interactions energy: -1132.674 where: short stacking energy: -522.615 Base-Backbone interact. energy: -2.431 local terms energy: -696.163919 where: bonds (distance) C4'-P energy: -160.684 bonds (distance) P-C4' energy: -162.424 flat angles C4'-P-C4' energy: -160.146 flat angles P-C4'-P energy: -101.875 tors. eta vs tors. theta energy: -111.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1260.469624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.469624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.469624 (E_RNA) where: Base-Base interactions energy: -714.751 where: short stacking energy: -325.736 Base-Backbone interact. energy: -5.980 local terms energy: -539.738427 where: bonds (distance) C4'-P energy: -150.078 bonds (distance) P-C4' energy: -153.673 flat angles C4'-P-C4' energy: -150.215 flat angles P-C4'-P energy: -75.132 tors. eta vs tors. theta energy: -10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1082.056077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.056077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.056077 (E_RNA) where: Base-Base interactions energy: -574.661 where: short stacking energy: -319.450 Base-Backbone interact. energy: 4.006 local terms energy: -511.400354 where: bonds (distance) C4'-P energy: -123.659 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -147.073 flat angles P-C4'-P energy: -75.958 tors. eta vs tors. theta energy: -12.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -721.370736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.370736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.370736 (E_RNA) where: Base-Base interactions energy: -257.200 where: short stacking energy: -186.137 Base-Backbone interact. energy: 6.286 local terms energy: -470.456497 where: bonds (distance) C4'-P energy: -155.073 bonds (distance) P-C4' energy: -158.249 flat angles C4'-P-C4' energy: -115.854 flat angles P-C4'-P energy: -85.463 tors. eta vs tors. theta energy: 44.183 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: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3096.421323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.421323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.421323 (E_RNA) where: Base-Base interactions energy: -2112.907 where: short stacking energy: -882.605 Base-Backbone interact. energy: -0.719 local terms energy: -982.795656 where: bonds (distance) C4'-P energy: -177.523 bonds (distance) P-C4' energy: -187.751 flat angles C4'-P-C4' energy: -215.435 flat angles P-C4'-P energy: -135.106 tors. eta vs tors. theta energy: -266.981 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: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -3015.154609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.154609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.154609 (E_RNA) where: Base-Base interactions energy: -2046.281 where: short stacking energy: -877.936 Base-Backbone interact. energy: -2.276 local terms energy: -966.597652 where: bonds (distance) C4'-P energy: -170.904 bonds (distance) P-C4' energy: -175.902 flat angles C4'-P-C4' energy: -200.017 flat angles P-C4'-P energy: -150.314 tors. eta vs tors. theta energy: -269.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2808.982268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.982268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.982268 (E_RNA) where: Base-Base interactions energy: -1929.844 where: short stacking energy: -834.491 Base-Backbone interact. energy: 5.319 local terms energy: -884.457825 where: bonds (distance) C4'-P energy: -175.645 bonds (distance) P-C4' energy: -176.034 flat angles C4'-P-C4' energy: -183.000 flat angles P-C4'-P energy: -121.889 tors. eta vs tors. theta energy: -227.890 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: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2531.240728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.240728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.240728 (E_RNA) where: Base-Base interactions energy: -1685.537 where: short stacking energy: -748.165 Base-Backbone interact. energy: -4.218 local terms energy: -841.486381 where: bonds (distance) C4'-P energy: -162.320 bonds (distance) P-C4' energy: -174.851 flat angles C4'-P-C4' energy: -188.908 flat angles P-C4'-P energy: -115.030 tors. eta vs tors. theta energy: -200.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2409.458200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.458200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.458200 (E_RNA) where: Base-Base interactions energy: -1592.792 where: short stacking energy: -742.824 Base-Backbone interact. energy: -0.054 local terms energy: -816.611467 where: bonds (distance) C4'-P energy: -162.175 bonds (distance) P-C4' energy: -147.114 flat angles C4'-P-C4' energy: -191.380 flat angles P-C4'-P energy: -110.999 tors. eta vs tors. theta energy: -204.944 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: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2185.234910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.234910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.234910 (E_RNA) where: Base-Base interactions energy: -1410.144 where: short stacking energy: -671.834 Base-Backbone interact. energy: 4.048 local terms energy: -779.139184 where: bonds (distance) C4'-P energy: -151.858 bonds (distance) P-C4' energy: -162.063 flat angles C4'-P-C4' energy: -173.203 flat angles P-C4'-P energy: -118.092 tors. eta vs tors. theta energy: -173.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1817.707728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.707728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.707728 (E_RNA) where: Base-Base interactions energy: -1158.397 where: short stacking energy: -528.396 Base-Backbone interact. energy: -1.641 local terms energy: -657.669449 where: bonds (distance) C4'-P energy: -150.826 bonds (distance) P-C4' energy: -143.506 flat angles C4'-P-C4' energy: -184.525 flat angles P-C4'-P energy: -88.466 tors. eta vs tors. theta energy: -90.347 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: 8, replica: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1290.786492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.786492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.786492 (E_RNA) where: Base-Base interactions energy: -724.906 where: short stacking energy: -374.289 Base-Backbone interact. energy: 4.004 local terms energy: -569.884622 where: bonds (distance) C4'-P energy: -138.603 bonds (distance) P-C4' energy: -156.373 flat angles C4'-P-C4' energy: -142.157 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -29.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1122.999726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.999726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.999726 (E_RNA) where: Base-Base interactions energy: -612.033 where: short stacking energy: -293.550 Base-Backbone interact. energy: -0.615 local terms energy: -510.351391 where: bonds (distance) C4'-P energy: -127.819 bonds (distance) P-C4' energy: -148.854 flat angles C4'-P-C4' energy: -136.302 flat angles P-C4'-P energy: -85.082 tors. eta vs tors. theta energy: -12.296 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: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -694.974478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.974478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.974478 (E_RNA) where: Base-Base interactions energy: -267.962 where: short stacking energy: -218.586 Base-Backbone interact. energy: -1.289 local terms energy: -425.722730 where: bonds (distance) C4'-P energy: -132.332 bonds (distance) P-C4' energy: -169.584 flat angles C4'-P-C4' energy: -95.953 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: 23.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3083.963190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.963190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.963190 (E_RNA) where: Base-Base interactions energy: -2107.467 where: short stacking energy: -865.883 Base-Backbone interact. energy: -1.036 local terms energy: -975.460061 where: bonds (distance) C4'-P energy: -168.812 bonds (distance) P-C4' energy: -193.949 flat angles C4'-P-C4' energy: -213.998 flat angles P-C4'-P energy: -146.410 tors. eta vs tors. theta energy: -252.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3006.667567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.667567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.667567 (E_RNA) where: Base-Base interactions energy: -2014.582 where: short stacking energy: -883.710 Base-Backbone interact. energy: -2.025 local terms energy: -990.060003 where: bonds (distance) C4'-P energy: -176.921 bonds (distance) P-C4' energy: -174.266 flat angles C4'-P-C4' energy: -212.190 flat angles P-C4'-P energy: -150.150 tors. eta vs tors. theta energy: -276.534 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: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2825.682534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.682534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.682534 (E_RNA) where: Base-Base interactions energy: -1923.649 where: short stacking energy: -842.176 Base-Backbone interact. energy: -1.555 local terms energy: -900.478489 where: bonds (distance) C4'-P energy: -171.262 bonds (distance) P-C4' energy: -171.157 flat angles C4'-P-C4' energy: -201.391 flat angles P-C4'-P energy: -129.629 tors. eta vs tors. theta energy: -227.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2474.585758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.585758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.585758 (E_RNA) where: Base-Base interactions energy: -1641.626 where: short stacking energy: -713.293 Base-Backbone interact. energy: 1.668 local terms energy: -834.628233 where: bonds (distance) C4'-P energy: -165.532 bonds (distance) P-C4' energy: -181.081 flat angles C4'-P-C4' energy: -172.683 flat angles P-C4'-P energy: -112.004 tors. eta vs tors. theta energy: -203.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2407.588528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.588528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.588528 (E_RNA) where: Base-Base interactions energy: -1585.946 where: short stacking energy: -714.235 Base-Backbone interact. energy: -1.366 local terms energy: -820.276752 where: bonds (distance) C4'-P energy: -153.520 bonds (distance) P-C4' energy: -168.062 flat angles C4'-P-C4' energy: -188.904 flat angles P-C4'-P energy: -108.421 tors. eta vs tors. theta energy: -201.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2162.618224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.618224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.618224 (E_RNA) where: Base-Base interactions energy: -1381.040 where: short stacking energy: -637.570 Base-Backbone interact. energy: -1.420 local terms energy: -780.158201 where: bonds (distance) C4'-P energy: -151.006 bonds (distance) P-C4' energy: -176.344 flat angles C4'-P-C4' energy: -174.046 flat angles P-C4'-P energy: -109.545 tors. eta vs tors. theta energy: -169.217 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: 314 Temperature: 1.200000 Total energy: -1815.984427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.984427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.984427 (E_RNA) where: Base-Base interactions energy: -1121.344 where: short stacking energy: -502.592 Base-Backbone interact. energy: 0.772 local terms energy: -695.412915 where: bonds (distance) C4'-P energy: -155.109 bonds (distance) P-C4' energy: -163.200 flat angles C4'-P-C4' energy: -178.276 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: -117.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1223.938002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.938002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.938002 (E_RNA) where: Base-Base interactions energy: -667.884 where: short stacking energy: -338.563 Base-Backbone interact. energy: -4.607 local terms energy: -551.447508 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -170.303 flat angles C4'-P-C4' energy: -144.009 flat angles P-C4'-P energy: -91.043 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1146.545459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.545459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.545459 (E_RNA) where: Base-Base interactions energy: -630.443 where: short stacking energy: -340.689 Base-Backbone interact. energy: -1.252 local terms energy: -514.850853 where: bonds (distance) C4'-P energy: -151.855 bonds (distance) P-C4' energy: -132.499 flat angles C4'-P-C4' energy: -124.125 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: -23.267 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: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -705.069785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.069785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.069785 (E_RNA) where: Base-Base interactions energy: -266.540 where: short stacking energy: -191.635 Base-Backbone interact. energy: -2.676 local terms energy: -435.853580 where: bonds (distance) C4'-P energy: -141.510 bonds (distance) P-C4' energy: -153.559 flat angles C4'-P-C4' energy: -117.017 flat angles P-C4'-P energy: -62.489 tors. eta vs tors. theta energy: 38.721 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: 315 Temperature: 0.900000 Total energy: -3037.504891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.504891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.504891 (E_RNA) where: Base-Base interactions energy: -2083.103 where: short stacking energy: -871.695 Base-Backbone interact. energy: -2.998 local terms energy: -951.403874 where: bonds (distance) C4'-P energy: -182.852 bonds (distance) P-C4' energy: -178.543 flat angles C4'-P-C4' energy: -198.415 flat angles P-C4'-P energy: -141.674 tors. eta vs tors. theta energy: -249.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -3009.237272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.237272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.237272 (E_RNA) where: Base-Base interactions energy: -2078.471 where: short stacking energy: -875.253 Base-Backbone interact. energy: -0.999 local terms energy: -929.767070 where: bonds (distance) C4'-P energy: -173.097 bonds (distance) P-C4' energy: -185.529 flat angles C4'-P-C4' energy: -190.770 flat angles P-C4'-P energy: -125.309 tors. eta vs tors. theta energy: -255.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2835.974596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.974596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.974596 (E_RNA) where: Base-Base interactions energy: -1921.787 where: short stacking energy: -840.193 Base-Backbone interact. energy: -0.648 local terms energy: -913.539719 where: bonds (distance) C4'-P energy: -159.052 bonds (distance) P-C4' energy: -170.535 flat angles C4'-P-C4' energy: -201.440 flat angles P-C4'-P energy: -142.170 tors. eta vs tors. theta energy: -240.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2488.635124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.635124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.635124 (E_RNA) where: Base-Base interactions energy: -1634.160 where: short stacking energy: -729.826 Base-Backbone interact. energy: -2.009 local terms energy: -852.466376 where: bonds (distance) C4'-P energy: -173.375 bonds (distance) P-C4' energy: -165.658 flat angles C4'-P-C4' energy: -193.194 flat angles P-C4'-P energy: -121.713 tors. eta vs tors. theta energy: -198.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2411.055154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.055154 (E_RNA) where: Base-Base interactions energy: -1619.299 where: short stacking energy: -736.572 Base-Backbone interact. energy: 0.311 local terms energy: -792.067098 where: bonds (distance) C4'-P energy: -149.113 bonds (distance) P-C4' energy: -160.123 flat angles C4'-P-C4' energy: -171.393 flat angles P-C4'-P energy: -118.206 tors. eta vs tors. theta energy: -193.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2217.503948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.503948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.503948 (E_RNA) where: Base-Base interactions energy: -1412.577 where: short stacking energy: -672.284 Base-Backbone interact. energy: -2.804 local terms energy: -802.123600 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -172.349 flat angles C4'-P-C4' energy: -177.822 flat angles P-C4'-P energy: -116.253 tors. eta vs tors. theta energy: -180.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1829.660353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.660353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.660353 (E_RNA) where: Base-Base interactions energy: -1162.065 where: short stacking energy: -535.240 Base-Backbone interact. energy: -2.478 local terms energy: -665.118107 where: bonds (distance) C4'-P energy: -143.051 bonds (distance) P-C4' energy: -152.267 flat angles C4'-P-C4' energy: -158.126 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -101.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1266.387773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.387773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.387773 (E_RNA) where: Base-Base interactions energy: -727.804 where: short stacking energy: -359.599 Base-Backbone interact. energy: -2.166 local terms energy: -536.417418 where: bonds (distance) C4'-P energy: -140.021 bonds (distance) P-C4' energy: -164.914 flat angles C4'-P-C4' energy: -152.495 flat angles P-C4'-P energy: -58.511 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: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1144.880566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.880566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.880566 (E_RNA) where: Base-Base interactions energy: -627.329 where: short stacking energy: -326.596 Base-Backbone interact. energy: 7.627 local terms energy: -525.178611 where: bonds (distance) C4'-P energy: -150.080 bonds (distance) P-C4' energy: -144.438 flat angles C4'-P-C4' energy: -133.194 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -31.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -751.409929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.409929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.409929 (E_RNA) where: Base-Base interactions energy: -289.037 where: short stacking energy: -186.051 Base-Backbone interact. energy: -1.791 local terms energy: -460.582235 where: bonds (distance) C4'-P energy: -127.940 bonds (distance) P-C4' energy: -148.141 flat angles C4'-P-C4' energy: -134.188 flat angles P-C4'-P energy: -88.671 tors. eta vs tors. theta energy: 38.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3064.341861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.341861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.341861 (E_RNA) where: Base-Base interactions energy: -2091.303 where: short stacking energy: -902.698 Base-Backbone interact. energy: -5.763 local terms energy: -967.275781 where: bonds (distance) C4'-P energy: -184.923 bonds (distance) P-C4' energy: -177.963 flat angles C4'-P-C4' energy: -214.608 flat angles P-C4'-P energy: -126.296 tors. eta vs tors. theta energy: -263.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2960.159651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.159651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.159651 (E_RNA) where: Base-Base interactions energy: -2034.171 where: short stacking energy: -863.509 Base-Backbone interact. energy: -0.188 local terms energy: -925.800276 where: bonds (distance) C4'-P energy: -165.098 bonds (distance) P-C4' energy: -185.861 flat angles C4'-P-C4' energy: -204.789 flat angles P-C4'-P energy: -125.102 tors. eta vs tors. theta energy: -244.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2827.152551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.152551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.152551 (E_RNA) where: Base-Base interactions energy: -1917.991 where: short stacking energy: -865.208 Base-Backbone interact. energy: 1.119 local terms energy: -910.280622 where: bonds (distance) C4'-P energy: -157.751 bonds (distance) P-C4' energy: -177.566 flat angles C4'-P-C4' energy: -202.316 flat angles P-C4'-P energy: -117.110 tors. eta vs tors. theta energy: -255.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2496.096086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.096086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.096086 (E_RNA) where: Base-Base interactions energy: -1688.280 where: short stacking energy: -728.267 Base-Backbone interact. energy: -3.276 local terms energy: -804.540776 where: bonds (distance) C4'-P energy: -164.715 bonds (distance) P-C4' energy: -158.043 flat angles C4'-P-C4' energy: -178.567 flat angles P-C4'-P energy: -102.512 tors. eta vs tors. theta energy: -200.703 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: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2370.932937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.932937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.932937 (E_RNA) where: Base-Base interactions energy: -1566.718 where: short stacking energy: -685.088 Base-Backbone interact. energy: -2.484 local terms energy: -801.730597 where: bonds (distance) C4'-P energy: -160.611 bonds (distance) P-C4' energy: -166.091 flat angles C4'-P-C4' energy: -178.897 flat angles P-C4'-P energy: -126.178 tors. eta vs tors. theta energy: -169.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2221.880679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.880679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.880679 (E_RNA) where: Base-Base interactions energy: -1465.253 where: short stacking energy: -682.444 Base-Backbone interact. energy: -0.667 local terms energy: -755.961282 where: bonds (distance) C4'-P energy: -129.547 bonds (distance) P-C4' energy: -169.118 flat angles C4'-P-C4' energy: -172.499 flat angles P-C4'-P energy: -112.353 tors. eta vs tors. theta energy: -172.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1807.994077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.994077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.994077 (E_RNA) where: Base-Base interactions energy: -1142.059 where: short stacking energy: -501.391 Base-Backbone interact. energy: -2.816 local terms energy: -663.119040 where: bonds (distance) C4'-P energy: -174.107 bonds (distance) P-C4' energy: -147.754 flat angles C4'-P-C4' energy: -155.491 flat angles P-C4'-P energy: -99.173 tors. eta vs tors. theta energy: -86.593 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: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1218.995452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.995452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.995452 (E_RNA) where: Base-Base interactions energy: -657.316 where: short stacking energy: -348.682 Base-Backbone interact. energy: 4.190 local terms energy: -565.869003 where: bonds (distance) C4'-P energy: -141.544 bonds (distance) P-C4' energy: -169.720 flat angles C4'-P-C4' energy: -127.934 flat angles P-C4'-P energy: -113.572 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: 316 Temperature: 1.300000 Total energy: -1037.258178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.258178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.258178 (E_RNA) where: Base-Base interactions energy: -534.502 where: short stacking energy: -299.733 Base-Backbone interact. energy: 2.828 local terms energy: -505.584528 where: bonds (distance) C4'-P energy: -157.238 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -132.339 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -4.805 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: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -673.721163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.721163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.721163 (E_RNA) where: Base-Base interactions energy: -233.316 where: short stacking energy: -207.250 Base-Backbone interact. energy: 3.218 local terms energy: -443.623854 where: bonds (distance) C4'-P energy: -113.946 bonds (distance) P-C4' energy: -144.374 flat angles C4'-P-C4' energy: -144.181 flat angles P-C4'-P energy: -61.958 tors. eta vs tors. theta energy: 20.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3094.590240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.590240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.590240 (E_RNA) where: Base-Base interactions energy: -2135.080 where: short stacking energy: -931.771 Base-Backbone interact. energy: -4.248 local terms energy: -955.261867 where: bonds (distance) C4'-P energy: -163.301 bonds (distance) P-C4' energy: -179.050 flat angles C4'-P-C4' energy: -215.078 flat angles P-C4'-P energy: -134.181 tors. eta vs tors. theta energy: -263.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2997.774805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.774805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.774805 (E_RNA) where: Base-Base interactions energy: -2063.165 where: short stacking energy: -871.943 Base-Backbone interact. energy: -0.402 local terms energy: -934.208451 where: bonds (distance) C4'-P energy: -163.254 bonds (distance) P-C4' energy: -187.874 flat angles C4'-P-C4' energy: -201.538 flat angles P-C4'-P energy: -128.456 tors. eta vs tors. theta energy: -253.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2815.075052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.075052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.075052 (E_RNA) where: Base-Base interactions energy: -1940.301 where: short stacking energy: -814.669 Base-Backbone interact. energy: -5.539 local terms energy: -869.235380 where: bonds (distance) C4'-P energy: -168.326 bonds (distance) P-C4' energy: -154.442 flat angles C4'-P-C4' energy: -189.853 flat angles P-C4'-P energy: -122.952 tors. eta vs tors. theta energy: -233.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2550.563679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.563679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.563679 (E_RNA) where: Base-Base interactions energy: -1737.245 where: short stacking energy: -713.828 Base-Backbone interact. energy: -3.082 local terms energy: -810.235980 where: bonds (distance) C4'-P energy: -154.319 bonds (distance) P-C4' energy: -157.653 flat angles C4'-P-C4' energy: -178.772 flat angles P-C4'-P energy: -123.222 tors. eta vs tors. theta energy: -196.269 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: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2445.104862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.104862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.104862 (E_RNA) where: Base-Base interactions energy: -1602.319 where: short stacking energy: -709.497 Base-Backbone interact. energy: -0.370 local terms energy: -842.415639 where: bonds (distance) C4'-P energy: -163.721 bonds (distance) P-C4' energy: -180.126 flat angles C4'-P-C4' energy: -178.211 flat angles P-C4'-P energy: -124.660 tors. eta vs tors. theta energy: -195.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2165.471222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.471222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.471222 (E_RNA) where: Base-Base interactions energy: -1372.332 where: short stacking energy: -636.310 Base-Backbone interact. energy: 1.877 local terms energy: -795.015661 where: bonds (distance) C4'-P energy: -176.779 bonds (distance) P-C4' energy: -165.987 flat angles C4'-P-C4' energy: -180.743 flat angles P-C4'-P energy: -83.559 tors. eta vs tors. theta energy: -187.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1738.860066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.860066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.860066 (E_RNA) where: Base-Base interactions energy: -1107.054 where: short stacking energy: -509.876 Base-Backbone interact. energy: -0.711 local terms energy: -631.095279 where: bonds (distance) C4'-P energy: -127.936 bonds (distance) P-C4' energy: -150.598 flat angles C4'-P-C4' energy: -169.119 flat angles P-C4'-P energy: -92.263 tors. eta vs tors. theta energy: -91.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1246.886115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.886115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.886115 (E_RNA) where: Base-Base interactions energy: -695.944 where: short stacking energy: -354.860 Base-Backbone interact. energy: -1.877 local terms energy: -549.064816 where: bonds (distance) C4'-P energy: -132.866 bonds (distance) P-C4' energy: -158.935 flat angles C4'-P-C4' energy: -154.895 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -21.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1063.895931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.895931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.895931 (E_RNA) where: Base-Base interactions energy: -536.529 where: short stacking energy: -315.781 Base-Backbone interact. energy: -0.805 local terms energy: -526.562422 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -114.943 flat angles P-C4'-P energy: -90.103 tors. eta vs tors. theta energy: -29.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -681.404662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.404662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.404662 (E_RNA) where: Base-Base interactions energy: -223.436 where: short stacking energy: -193.233 Base-Backbone interact. energy: -2.376 local terms energy: -455.593248 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -144.143 flat angles C4'-P-C4' energy: -129.127 flat angles P-C4'-P energy: -86.157 tors. eta vs tors. theta energy: 34.597 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: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3054.768583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.768583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.768583 (E_RNA) where: Base-Base interactions energy: -2083.751 where: short stacking energy: -903.101 Base-Backbone interact. energy: -3.932 local terms energy: -967.086029 where: bonds (distance) C4'-P energy: -187.849 bonds (distance) P-C4' energy: -179.672 flat angles C4'-P-C4' energy: -211.015 flat angles P-C4'-P energy: -129.137 tors. eta vs tors. theta energy: -259.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2950.847228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.847228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.847228 (E_RNA) where: Base-Base interactions energy: -2012.429 where: short stacking energy: -855.685 Base-Backbone interact. energy: -6.567 local terms energy: -931.851189 where: bonds (distance) C4'-P energy: -170.985 bonds (distance) P-C4' energy: -179.419 flat angles C4'-P-C4' energy: -207.684 flat angles P-C4'-P energy: -136.218 tors. eta vs tors. theta energy: -237.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2792.026595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.026595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.026595 (E_RNA) where: Base-Base interactions energy: -1913.544 where: short stacking energy: -791.008 Base-Backbone interact. energy: -2.716 local terms energy: -875.766500 where: bonds (distance) C4'-P energy: -176.730 bonds (distance) P-C4' energy: -161.679 flat angles C4'-P-C4' energy: -200.435 flat angles P-C4'-P energy: -107.874 tors. eta vs tors. theta energy: -229.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2519.264659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.264659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.264659 (E_RNA) where: Base-Base interactions energy: -1675.573 where: short stacking energy: -738.438 Base-Backbone interact. energy: -1.571 local terms energy: -842.120584 where: bonds (distance) C4'-P energy: -155.904 bonds (distance) P-C4' energy: -175.562 flat angles C4'-P-C4' energy: -192.490 flat angles P-C4'-P energy: -116.502 tors. eta vs tors. theta energy: -201.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2477.918908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.918908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.918908 (E_RNA) where: Base-Base interactions energy: -1632.907 where: short stacking energy: -737.615 Base-Backbone interact. energy: 2.134 local terms energy: -847.145815 where: bonds (distance) C4'-P energy: -161.415 bonds (distance) P-C4' energy: -175.142 flat angles C4'-P-C4' energy: -165.711 flat angles P-C4'-P energy: -123.993 tors. eta vs tors. theta energy: -220.884 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: 318 Temperature: 1.150000 Total energy: -2176.927806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.927806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.927806 (E_RNA) where: Base-Base interactions energy: -1401.778 where: short stacking energy: -639.841 Base-Backbone interact. energy: -1.926 local terms energy: -773.223240 where: bonds (distance) C4'-P energy: -151.326 bonds (distance) P-C4' energy: -164.937 flat angles C4'-P-C4' energy: -174.028 flat angles P-C4'-P energy: -99.054 tors. eta vs tors. theta energy: -183.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1800.206759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.206759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.206759 (E_RNA) where: Base-Base interactions energy: -1144.940 where: short stacking energy: -497.299 Base-Backbone interact. energy: -0.898 local terms energy: -654.368007 where: bonds (distance) C4'-P energy: -141.703 bonds (distance) P-C4' energy: -171.835 flat angles C4'-P-C4' energy: -147.536 flat angles P-C4'-P energy: -96.435 tors. eta vs tors. theta energy: -96.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1211.740633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.740633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.740633 (E_RNA) where: Base-Base interactions energy: -630.633 where: short stacking energy: -328.577 Base-Backbone interact. energy: 2.266 local terms energy: -583.373855 where: bonds (distance) C4'-P energy: -146.673 bonds (distance) P-C4' energy: -169.779 flat angles C4'-P-C4' energy: -158.878 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -17.059 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: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -938.950228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.950228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.950228 (E_RNA) where: Base-Base interactions energy: -466.602 where: short stacking energy: -275.335 Base-Backbone interact. energy: 3.444 local terms energy: -475.792046 where: bonds (distance) C4'-P energy: -117.459 bonds (distance) P-C4' energy: -153.178 flat angles C4'-P-C4' energy: -118.103 flat angles P-C4'-P energy: -90.679 tors. eta vs tors. theta energy: 3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -741.569703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.569703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.569703 (E_RNA) where: Base-Base interactions energy: -299.213 where: short stacking energy: -214.449 Base-Backbone interact. energy: 0.422 local terms energy: -442.778680 where: bonds (distance) C4'-P energy: -120.778 bonds (distance) P-C4' energy: -151.274 flat angles C4'-P-C4' energy: -120.486 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: 29.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3071.786006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.786006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.786006 (E_RNA) where: Base-Base interactions energy: -2102.200 where: short stacking energy: -906.475 Base-Backbone interact. energy: -1.577 local terms energy: -968.008919 where: bonds (distance) C4'-P energy: -178.608 bonds (distance) P-C4' energy: -183.073 flat angles C4'-P-C4' energy: -197.736 flat angles P-C4'-P energy: -144.927 tors. eta vs tors. theta energy: -263.665 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: 319 Temperature: 0.950000 Total energy: -2916.961705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.961705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.961705 (E_RNA) where: Base-Base interactions energy: -1992.919 where: short stacking energy: -836.686 Base-Backbone interact. energy: -4.375 local terms energy: -919.667689 where: bonds (distance) C4'-P energy: -178.819 bonds (distance) P-C4' energy: -174.731 flat angles C4'-P-C4' energy: -202.406 flat angles P-C4'-P energy: -135.591 tors. eta vs tors. theta energy: -228.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2850.700817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.700817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.700817 (E_RNA) where: Base-Base interactions energy: -1917.367 where: short stacking energy: -842.500 Base-Backbone interact. energy: -7.012 local terms energy: -926.321769 where: bonds (distance) C4'-P energy: -176.881 bonds (distance) P-C4' energy: -188.459 flat angles C4'-P-C4' energy: -188.973 flat angles P-C4'-P energy: -129.914 tors. eta vs tors. theta energy: -242.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2543.309854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.309854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.309854 (E_RNA) where: Base-Base interactions energy: -1713.162 where: short stacking energy: -760.472 Base-Backbone interact. energy: -1.073 local terms energy: -829.074732 where: bonds (distance) C4'-P energy: -162.741 bonds (distance) P-C4' energy: -153.174 flat angles C4'-P-C4' energy: -174.648 flat angles P-C4'-P energy: -120.648 tors. eta vs tors. theta energy: -217.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2446.627981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.627981 (E_RNA) where: Base-Base interactions energy: -1613.727 where: short stacking energy: -718.187 Base-Backbone interact. energy: -4.610 local terms energy: -828.291323 where: bonds (distance) C4'-P energy: -147.462 bonds (distance) P-C4' energy: -180.473 flat angles C4'-P-C4' energy: -180.991 flat angles P-C4'-P energy: -120.090 tors. eta vs tors. theta energy: -199.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2177.112802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.112802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.112802 (E_RNA) where: Base-Base interactions energy: -1415.654 where: short stacking energy: -616.585 Base-Backbone interact. energy: -0.556 local terms energy: -760.902979 where: bonds (distance) C4'-P energy: -142.945 bonds (distance) P-C4' energy: -161.167 flat angles C4'-P-C4' energy: -177.780 flat angles P-C4'-P energy: -110.821 tors. eta vs tors. theta energy: -168.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1729.181976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.181976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.181976 (E_RNA) where: Base-Base interactions energy: -1095.481 where: short stacking energy: -482.865 Base-Backbone interact. energy: 6.504 local terms energy: -640.204587 where: bonds (distance) C4'-P energy: -157.275 bonds (distance) P-C4' energy: -151.311 flat angles C4'-P-C4' energy: -158.925 flat angles P-C4'-P energy: -95.871 tors. eta vs tors. theta energy: -76.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1230.368411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.368411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.368411 (E_RNA) where: Base-Base interactions energy: -633.904 where: short stacking energy: -331.543 Base-Backbone interact. energy: -0.629 local terms energy: -595.835982 where: bonds (distance) C4'-P energy: -136.994 bonds (distance) P-C4' energy: -170.105 flat angles C4'-P-C4' energy: -150.087 flat angles P-C4'-P energy: -98.676 tors. eta vs tors. theta energy: -39.973 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: 319 Temperature: 1.300000 Total energy: -928.439159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.439159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.439159 (E_RNA) where: Base-Base interactions energy: -411.664 where: short stacking energy: -241.543 Base-Backbone interact. energy: 5.808 local terms energy: -522.583125 where: bonds (distance) C4'-P energy: -145.511 bonds (distance) P-C4' energy: -155.838 flat angles C4'-P-C4' energy: -130.928 flat angles P-C4'-P energy: -84.912 tors. eta vs tors. theta energy: -5.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -748.023876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.023876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.023876 (E_RNA) where: Base-Base interactions energy: -308.754 where: short stacking energy: -215.697 Base-Backbone interact. energy: -0.376 local terms energy: -438.893803 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -144.903 flat angles C4'-P-C4' energy: -121.086 flat angles P-C4'-P energy: -85.355 tors. eta vs tors. theta energy: 31.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3046.120905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.120905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.120905 (E_RNA) where: Base-Base interactions energy: -2067.039 where: short stacking energy: -895.281 Base-Backbone interact. energy: -6.077 local terms energy: -973.005193 where: bonds (distance) C4'-P energy: -182.733 bonds (distance) P-C4' energy: -174.361 flat angles C4'-P-C4' energy: -211.515 flat angles P-C4'-P energy: -142.644 tors. eta vs tors. theta energy: -261.752 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: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2951.786980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.786980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.786980 (E_RNA) where: Base-Base interactions energy: -2059.796 where: short stacking energy: -858.428 Base-Backbone interact. energy: -0.961 local terms energy: -891.029458 where: bonds (distance) C4'-P energy: -158.853 bonds (distance) P-C4' energy: -168.542 flat angles C4'-P-C4' energy: -203.989 flat angles P-C4'-P energy: -115.461 tors. eta vs tors. theta energy: -244.184 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: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2842.243229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.243229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.243229 (E_RNA) where: Base-Base interactions energy: -1921.376 where: short stacking energy: -835.846 Base-Backbone interact. energy: 1.556 local terms energy: -922.422977 where: bonds (distance) C4'-P energy: -173.167 bonds (distance) P-C4' energy: -181.372 flat angles C4'-P-C4' energy: -195.130 flat angles P-C4'-P energy: -130.907 tors. eta vs tors. theta energy: -241.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2551.417716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.417716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.417716 (E_RNA) where: Base-Base interactions energy: -1718.981 where: short stacking energy: -730.614 Base-Backbone interact. energy: -4.096 local terms energy: -828.341266 where: bonds (distance) C4'-P energy: -157.891 bonds (distance) P-C4' energy: -153.375 flat angles C4'-P-C4' energy: -190.396 flat angles P-C4'-P energy: -112.013 tors. eta vs tors. theta energy: -214.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2438.334666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.334666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.334666 (E_RNA) where: Base-Base interactions energy: -1625.722 where: short stacking energy: -701.305 Base-Backbone interact. energy: -0.426 local terms energy: -812.186247 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -154.670 flat angles C4'-P-C4' energy: -186.411 flat angles P-C4'-P energy: -116.031 tors. eta vs tors. theta energy: -205.451 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: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2172.471438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.471438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.471438 (E_RNA) where: Base-Base interactions energy: -1381.972 where: short stacking energy: -630.011 Base-Backbone interact. energy: -1.191 local terms energy: -789.307755 where: bonds (distance) C4'-P energy: -161.236 bonds (distance) P-C4' energy: -174.428 flat angles C4'-P-C4' energy: -184.213 flat angles P-C4'-P energy: -106.606 tors. eta vs tors. theta energy: -162.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1704.645887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.645887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.645887 (E_RNA) where: Base-Base interactions energy: -1030.917 where: short stacking energy: -502.088 Base-Backbone interact. energy: -1.550 local terms energy: -672.178621 where: bonds (distance) C4'-P energy: -164.323 bonds (distance) P-C4' energy: -157.723 flat angles C4'-P-C4' energy: -163.500 flat angles P-C4'-P energy: -91.347 tors. eta vs tors. theta energy: -95.286 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: 3 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1231.576383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.576383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.576383 (E_RNA) where: Base-Base interactions energy: -660.926 where: short stacking energy: -349.502 Base-Backbone interact. energy: -0.987 local terms energy: -569.664299 where: bonds (distance) C4'-P energy: -140.049 bonds (distance) P-C4' energy: -170.168 flat angles C4'-P-C4' energy: -138.940 flat angles P-C4'-P energy: -86.386 tors. eta vs tors. theta energy: -34.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -983.152734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.152734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.152734 (E_RNA) where: Base-Base interactions energy: -453.717 where: short stacking energy: -288.052 Base-Backbone interact. energy: -1.334 local terms energy: -528.101614 where: bonds (distance) C4'-P energy: -143.431 bonds (distance) P-C4' energy: -156.453 flat angles C4'-P-C4' energy: -139.627 flat angles P-C4'-P energy: -79.442 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: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -740.172906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.172906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.172906 (E_RNA) where: Base-Base interactions energy: -275.867 where: short stacking energy: -194.516 Base-Backbone interact. energy: -0.367 local terms energy: -463.938334 where: bonds (distance) C4'-P energy: -159.170 bonds (distance) P-C4' energy: -162.506 flat angles C4'-P-C4' energy: -139.033 flat angles P-C4'-P energy: -54.230 tors. eta vs tors. theta energy: 51.001 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: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3066.325097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.325097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.325097 (E_RNA) where: Base-Base interactions energy: -2095.922 where: short stacking energy: -900.204 Base-Backbone interact. energy: -6.249 local terms energy: -964.153832 where: bonds (distance) C4'-P energy: -185.977 bonds (distance) P-C4' energy: -177.497 flat angles C4'-P-C4' energy: -196.186 flat angles P-C4'-P energy: -141.535 tors. eta vs tors. theta energy: -262.958 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: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2942.267534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.267534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.267534 (E_RNA) where: Base-Base interactions energy: -2023.766 where: short stacking energy: -839.405 Base-Backbone interact. energy: -3.725 local terms energy: -914.776503 where: bonds (distance) C4'-P energy: -166.280 bonds (distance) P-C4' energy: -176.427 flat angles C4'-P-C4' energy: -196.583 flat angles P-C4'-P energy: -135.130 tors. eta vs tors. theta energy: -240.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2797.743683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.743683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.743683 (E_RNA) where: Base-Base interactions energy: -1912.846 where: short stacking energy: -827.240 Base-Backbone interact. energy: -0.589 local terms energy: -884.308835 where: bonds (distance) C4'-P energy: -163.925 bonds (distance) P-C4' energy: -169.767 flat angles C4'-P-C4' energy: -196.711 flat angles P-C4'-P energy: -117.555 tors. eta vs tors. theta energy: -236.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2530.520373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.520373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.520373 (E_RNA) where: Base-Base interactions energy: -1683.281 where: short stacking energy: -705.554 Base-Backbone interact. energy: -3.120 local terms energy: -844.119584 where: bonds (distance) C4'-P energy: -149.990 bonds (distance) P-C4' energy: -182.752 flat angles C4'-P-C4' energy: -185.196 flat angles P-C4'-P energy: -128.134 tors. eta vs tors. theta energy: -198.048 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: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2419.155584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.155584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.155584 (E_RNA) where: Base-Base interactions energy: -1589.958 where: short stacking energy: -700.517 Base-Backbone interact. energy: 3.235 local terms energy: -832.433136 where: bonds (distance) C4'-P energy: -163.782 bonds (distance) P-C4' energy: -166.728 flat angles C4'-P-C4' energy: -180.581 flat angles P-C4'-P energy: -115.997 tors. eta vs tors. theta energy: -205.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2144.294511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.294511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.294511 (E_RNA) where: Base-Base interactions energy: -1379.100 where: short stacking energy: -626.174 Base-Backbone interact. energy: -5.907 local terms energy: -759.287470 where: bonds (distance) C4'-P energy: -160.704 bonds (distance) P-C4' energy: -164.875 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -108.220 tors. eta vs tors. theta energy: -165.579 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: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1716.632510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.632510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.632510 (E_RNA) where: Base-Base interactions energy: -1054.469 where: short stacking energy: -514.313 Base-Backbone interact. energy: -1.325 local terms energy: -660.838193 where: bonds (distance) C4'-P energy: -142.065 bonds (distance) P-C4' energy: -138.866 flat angles C4'-P-C4' energy: -168.617 flat angles P-C4'-P energy: -112.437 tors. eta vs tors. theta energy: -98.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1240.184399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.184399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.184399 (E_RNA) where: Base-Base interactions energy: -639.897 where: short stacking energy: -328.007 Base-Backbone interact. energy: -3.550 local terms energy: -596.736925 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -150.662 flat angles P-C4'-P energy: -95.078 tors. eta vs tors. theta energy: -44.346 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: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1035.630490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.630490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.630490 (E_RNA) where: Base-Base interactions energy: -517.221 where: short stacking energy: -291.252 Base-Backbone interact. energy: -0.922 local terms energy: -517.487325 where: bonds (distance) C4'-P energy: -147.509 bonds (distance) P-C4' energy: -166.290 flat angles C4'-P-C4' energy: -105.507 flat angles P-C4'-P energy: -94.382 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -718.889169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.889169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.889169 (E_RNA) where: Base-Base interactions energy: -251.723 where: short stacking energy: -228.707 Base-Backbone interact. energy: 5.015 local terms energy: -472.180792 where: bonds (distance) C4'-P energy: -144.907 bonds (distance) P-C4' energy: -160.925 flat angles C4'-P-C4' energy: -115.714 flat angles P-C4'-P energy: -71.049 tors. eta vs tors. theta energy: 20.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3079.295942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.295942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.295942 (E_RNA) where: Base-Base interactions energy: -2115.317 where: short stacking energy: -892.012 Base-Backbone interact. energy: -2.336 local terms energy: -961.642852 where: bonds (distance) C4'-P energy: -172.374 bonds (distance) P-C4' energy: -175.570 flat angles C4'-P-C4' energy: -203.949 flat angles P-C4'-P energy: -146.709 tors. eta vs tors. theta energy: -263.040 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: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2926.192709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.192709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.192709 (E_RNA) where: Base-Base interactions energy: -2025.989 where: short stacking energy: -834.978 Base-Backbone interact. energy: -1.099 local terms energy: -899.104522 where: bonds (distance) C4'-P energy: -158.806 bonds (distance) P-C4' energy: -191.086 flat angles C4'-P-C4' energy: -196.201 flat angles P-C4'-P energy: -120.084 tors. eta vs tors. theta energy: -232.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2859.997518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.997518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.997518 (E_RNA) where: Base-Base interactions energy: -1926.061 where: short stacking energy: -840.306 Base-Backbone interact. energy: 6.362 local terms energy: -940.298945 where: bonds (distance) C4'-P energy: -173.783 bonds (distance) P-C4' energy: -181.927 flat angles C4'-P-C4' energy: -201.655 flat angles P-C4'-P energy: -143.636 tors. eta vs tors. theta energy: -239.298 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: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2519.593917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.593917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.593917 (E_RNA) where: Base-Base interactions energy: -1703.920 where: short stacking energy: -784.284 Base-Backbone interact. energy: -3.221 local terms energy: -812.452894 where: bonds (distance) C4'-P energy: -147.625 bonds (distance) P-C4' energy: -148.595 flat angles C4'-P-C4' energy: -188.434 flat angles P-C4'-P energy: -116.833 tors. eta vs tors. theta energy: -210.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2411.852855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.852855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.852855 (E_RNA) where: Base-Base interactions energy: -1611.191 where: short stacking energy: -738.490 Base-Backbone interact. energy: 0.235 local terms energy: -800.896231 where: bonds (distance) C4'-P energy: -145.025 bonds (distance) P-C4' energy: -179.811 flat angles C4'-P-C4' energy: -173.760 flat angles P-C4'-P energy: -95.079 tors. eta vs tors. theta energy: -207.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2115.571813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.571813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.571813 (E_RNA) where: Base-Base interactions energy: -1337.630 where: short stacking energy: -639.393 Base-Backbone interact. energy: 0.312 local terms energy: -778.253311 where: bonds (distance) C4'-P energy: -166.318 bonds (distance) P-C4' energy: -173.627 flat angles C4'-P-C4' energy: -171.008 flat angles P-C4'-P energy: -110.746 tors. eta vs tors. theta energy: -156.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1675.898811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.898811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.898811 (E_RNA) where: Base-Base interactions energy: -1000.423 where: short stacking energy: -484.526 Base-Backbone interact. energy: 2.814 local terms energy: -678.290229 where: bonds (distance) C4'-P energy: -162.879 bonds (distance) P-C4' energy: -166.459 flat angles C4'-P-C4' energy: -167.840 flat angles P-C4'-P energy: -84.924 tors. eta vs tors. theta energy: -96.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1213.499266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.499266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.499266 (E_RNA) where: Base-Base interactions energy: -661.433 where: short stacking energy: -333.447 Base-Backbone interact. energy: 3.917 local terms energy: -555.983961 where: bonds (distance) C4'-P energy: -159.767 bonds (distance) P-C4' energy: -152.154 flat angles C4'-P-C4' energy: -137.914 flat angles P-C4'-P energy: -83.300 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: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -920.825011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.825011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.825011 (E_RNA) where: Base-Base interactions energy: -446.166 where: short stacking energy: -268.827 Base-Backbone interact. energy: 2.327 local terms energy: -476.985335 where: bonds (distance) C4'-P energy: -132.011 bonds (distance) P-C4' energy: -163.210 flat angles C4'-P-C4' energy: -137.240 flat angles P-C4'-P energy: -53.611 tors. eta vs tors. theta energy: 9.088 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: 322 Temperature: 1.350000 Total energy: -720.081000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.081000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.081000 (E_RNA) where: Base-Base interactions energy: -237.150 where: short stacking energy: -193.441 Base-Backbone interact. energy: 5.123 local terms energy: -488.054556 where: bonds (distance) C4'-P energy: -142.367 bonds (distance) P-C4' energy: -167.599 flat angles C4'-P-C4' energy: -129.238 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: 22.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3123.201471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.201471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.201471 (E_RNA) where: Base-Base interactions energy: -2149.876 where: short stacking energy: -949.346 Base-Backbone interact. energy: -0.986 local terms energy: -972.339231 where: bonds (distance) C4'-P energy: -179.743 bonds (distance) P-C4' energy: -181.919 flat angles C4'-P-C4' energy: -206.944 flat angles P-C4'-P energy: -138.463 tors. eta vs tors. theta energy: -265.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2946.381179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.381179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.381179 (E_RNA) where: Base-Base interactions energy: -1992.784 where: short stacking energy: -838.786 Base-Backbone interact. energy: -4.998 local terms energy: -948.598490 where: bonds (distance) C4'-P energy: -178.311 bonds (distance) P-C4' energy: -187.394 flat angles C4'-P-C4' energy: -210.335 flat angles P-C4'-P energy: -134.453 tors. eta vs tors. theta energy: -238.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2813.037924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.037924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.037924 (E_RNA) where: Base-Base interactions energy: -1935.119 where: short stacking energy: -812.756 Base-Backbone interact. energy: -0.273 local terms energy: -877.645650 where: bonds (distance) C4'-P energy: -157.836 bonds (distance) P-C4' energy: -154.137 flat angles C4'-P-C4' energy: -212.298 flat angles P-C4'-P energy: -127.043 tors. eta vs tors. theta energy: -226.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2544.473174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.473174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.473174 (E_RNA) where: Base-Base interactions energy: -1720.107 where: short stacking energy: -721.565 Base-Backbone interact. energy: -1.963 local terms energy: -822.402984 where: bonds (distance) C4'-P energy: -150.757 bonds (distance) P-C4' energy: -165.119 flat angles C4'-P-C4' energy: -178.487 flat angles P-C4'-P energy: -126.888 tors. eta vs tors. theta energy: -201.152 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: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2439.062066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.062066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.062066 (E_RNA) where: Base-Base interactions energy: -1585.576 where: short stacking energy: -716.317 Base-Backbone interact. energy: -1.203 local terms energy: -852.282829 where: bonds (distance) C4'-P energy: -168.884 bonds (distance) P-C4' energy: -173.751 flat angles C4'-P-C4' energy: -184.861 flat angles P-C4'-P energy: -123.891 tors. eta vs tors. theta energy: -200.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2124.536592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.536592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.536592 (E_RNA) where: Base-Base interactions energy: -1394.778 where: short stacking energy: -589.885 Base-Backbone interact. energy: 5.720 local terms energy: -735.478411 where: bonds (distance) C4'-P energy: -152.578 bonds (distance) P-C4' energy: -178.240 flat angles C4'-P-C4' energy: -168.301 flat angles P-C4'-P energy: -103.342 tors. eta vs tors. theta energy: -133.017 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: 323 Temperature: 1.200000 Total energy: -1694.170735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.170735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.170735 (E_RNA) where: Base-Base interactions energy: -1026.130 where: short stacking energy: -491.482 Base-Backbone interact. energy: 2.498 local terms energy: -670.538368 where: bonds (distance) C4'-P energy: -155.294 bonds (distance) P-C4' energy: -161.137 flat angles C4'-P-C4' energy: -157.153 flat angles P-C4'-P energy: -98.825 tors. eta vs tors. theta energy: -98.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1168.506144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.506144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.506144 (E_RNA) where: Base-Base interactions energy: -567.671 where: short stacking energy: -295.234 Base-Backbone interact. energy: 0.993 local terms energy: -601.828279 where: bonds (distance) C4'-P energy: -176.366 bonds (distance) P-C4' energy: -155.194 flat angles C4'-P-C4' energy: -141.596 flat angles P-C4'-P energy: -100.922 tors. eta vs tors. theta energy: -27.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -896.150157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.150157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.150157 (E_RNA) where: Base-Base interactions energy: -412.106 where: short stacking energy: -242.444 Base-Backbone interact. energy: 3.893 local terms energy: -487.938018 where: bonds (distance) C4'-P energy: -130.169 bonds (distance) P-C4' energy: -160.237 flat angles C4'-P-C4' energy: -108.771 flat angles P-C4'-P energy: -103.062 tors. eta vs tors. theta energy: 14.302 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: 323 Temperature: 1.350000 Total energy: -726.072594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.072594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.072594 (E_RNA) where: Base-Base interactions energy: -295.722 where: short stacking energy: -220.884 Base-Backbone interact. energy: 7.518 local terms energy: -437.868782 where: bonds (distance) C4'-P energy: -118.663 bonds (distance) P-C4' energy: -132.321 flat angles C4'-P-C4' energy: -136.260 flat angles P-C4'-P energy: -83.631 tors. eta vs tors. theta energy: 33.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3093.161403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.161403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.161403 (E_RNA) where: Base-Base interactions energy: -2111.079 where: short stacking energy: -904.947 Base-Backbone interact. energy: -7.125 local terms energy: -974.957374 where: bonds (distance) C4'-P energy: -187.890 bonds (distance) P-C4' energy: -176.876 flat angles C4'-P-C4' energy: -200.687 flat angles P-C4'-P energy: -145.989 tors. eta vs tors. theta energy: -263.516 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: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2878.386172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.386172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.386172 (E_RNA) where: Base-Base interactions energy: -1919.071 where: short stacking energy: -794.785 Base-Backbone interact. energy: 0.375 local terms energy: -959.690450 where: bonds (distance) C4'-P energy: -184.403 bonds (distance) P-C4' energy: -184.539 flat angles C4'-P-C4' energy: -196.903 flat angles P-C4'-P energy: -149.418 tors. eta vs tors. theta energy: -244.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2848.836693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.836693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.836693 (E_RNA) where: Base-Base interactions energy: -1943.938 where: short stacking energy: -843.120 Base-Backbone interact. energy: 1.071 local terms energy: -905.969222 where: bonds (distance) C4'-P energy: -161.758 bonds (distance) P-C4' energy: -180.768 flat angles C4'-P-C4' energy: -211.154 flat angles P-C4'-P energy: -122.051 tors. eta vs tors. theta energy: -230.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2574.867191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.867191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.867191 (E_RNA) where: Base-Base interactions energy: -1700.218 where: short stacking energy: -762.553 Base-Backbone interact. energy: 2.408 local terms energy: -877.057152 where: bonds (distance) C4'-P energy: -159.550 bonds (distance) P-C4' energy: -175.593 flat angles C4'-P-C4' energy: -195.224 flat angles P-C4'-P energy: -122.758 tors. eta vs tors. theta energy: -223.932 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: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2444.123291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.123291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.123291 (E_RNA) where: Base-Base interactions energy: -1576.958 where: short stacking energy: -716.705 Base-Backbone interact. energy: -2.987 local terms energy: -864.178279 where: bonds (distance) C4'-P energy: -176.037 bonds (distance) P-C4' energy: -173.449 flat angles C4'-P-C4' energy: -192.179 flat angles P-C4'-P energy: -107.479 tors. eta vs tors. theta energy: -215.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2173.858151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.858151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.858151 (E_RNA) where: Base-Base interactions energy: -1379.328 where: short stacking energy: -649.396 Base-Backbone interact. energy: -1.871 local terms energy: -792.659350 where: bonds (distance) C4'-P energy: -161.166 bonds (distance) P-C4' energy: -169.253 flat angles C4'-P-C4' energy: -188.216 flat angles P-C4'-P energy: -109.660 tors. eta vs tors. theta energy: -164.365 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: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1642.062768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.062768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.062768 (E_RNA) where: Base-Base interactions energy: -1016.654 where: short stacking energy: -446.922 Base-Backbone interact. energy: -3.313 local terms energy: -622.095856 where: bonds (distance) C4'-P energy: -150.878 bonds (distance) P-C4' energy: -132.756 flat angles C4'-P-C4' energy: -151.341 flat angles P-C4'-P energy: -108.848 tors. eta vs tors. theta energy: -78.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1163.365763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.365763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.365763 (E_RNA) where: Base-Base interactions energy: -647.417 where: short stacking energy: -331.731 Base-Backbone interact. energy: 5.300 local terms energy: -521.248903 where: bonds (distance) C4'-P energy: -146.956 bonds (distance) P-C4' energy: -153.614 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -847.731405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.731405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.731405 (E_RNA) where: Base-Base interactions energy: -369.867 where: short stacking energy: -238.145 Base-Backbone interact. energy: -1.992 local terms energy: -475.872548 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -175.238 flat angles C4'-P-C4' energy: -108.822 flat angles P-C4'-P energy: -68.495 tors. eta vs tors. theta energy: 19.804 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: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -879.797254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.797254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.797254 (E_RNA) where: Base-Base interactions energy: -393.065 where: short stacking energy: -254.128 Base-Backbone interact. energy: -1.889 local terms energy: -484.843439 where: bonds (distance) C4'-P energy: -153.499 bonds (distance) P-C4' energy: -157.697 flat angles C4'-P-C4' energy: -129.879 flat angles P-C4'-P energy: -54.890 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: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3128.893008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.893008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.893008 (E_RNA) where: Base-Base interactions energy: -2156.227 where: short stacking energy: -935.739 Base-Backbone interact. energy: -3.899 local terms energy: -968.766177 where: bonds (distance) C4'-P energy: -159.292 bonds (distance) P-C4' energy: -185.668 flat angles C4'-P-C4' energy: -210.249 flat angles P-C4'-P energy: -144.192 tors. eta vs tors. theta energy: -269.365 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: 325 Temperature: 0.950000 Total energy: -2913.619029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.619029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.619029 (E_RNA) where: Base-Base interactions energy: -2003.580 where: short stacking energy: -818.492 Base-Backbone interact. energy: 0.418 local terms energy: -910.457431 where: bonds (distance) C4'-P energy: -164.846 bonds (distance) P-C4' energy: -186.653 flat angles C4'-P-C4' energy: -202.346 flat angles P-C4'-P energy: -130.589 tors. eta vs tors. theta energy: -226.023 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: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2866.564872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.564872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.564872 (E_RNA) where: Base-Base interactions energy: -1975.027 where: short stacking energy: -870.175 Base-Backbone interact. energy: 0.636 local terms energy: -892.174138 where: bonds (distance) C4'-P energy: -147.530 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -203.386 flat angles P-C4'-P energy: -136.659 tors. eta vs tors. theta energy: -244.698 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: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2592.699858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.699858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.699858 (E_RNA) where: Base-Base interactions energy: -1756.839 where: short stacking energy: -731.066 Base-Backbone interact. energy: 1.021 local terms energy: -836.881612 where: bonds (distance) C4'-P energy: -163.286 bonds (distance) P-C4' energy: -169.652 flat angles C4'-P-C4' energy: -174.663 flat angles P-C4'-P energy: -112.308 tors. eta vs tors. theta energy: -216.972 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: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2377.769149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.769149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.769149 (E_RNA) where: Base-Base interactions energy: -1548.274 where: short stacking energy: -700.417 Base-Backbone interact. energy: -0.681 local terms energy: -828.814174 where: bonds (distance) C4'-P energy: -159.461 bonds (distance) P-C4' energy: -157.544 flat angles C4'-P-C4' energy: -194.969 flat angles P-C4'-P energy: -119.495 tors. eta vs tors. theta energy: -197.346 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: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2183.658267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.658267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.658267 (E_RNA) where: Base-Base interactions energy: -1433.384 where: short stacking energy: -620.657 Base-Backbone interact. energy: 1.272 local terms energy: -751.546348 where: bonds (distance) C4'-P energy: -167.218 bonds (distance) P-C4' energy: -156.935 flat angles C4'-P-C4' energy: -180.640 flat angles P-C4'-P energy: -103.066 tors. eta vs tors. theta energy: -143.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1747.457163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.457163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.457163 (E_RNA) where: Base-Base interactions energy: -1099.027 where: short stacking energy: -501.923 Base-Backbone interact. energy: 0.632 local terms energy: -649.061470 where: bonds (distance) C4'-P energy: -141.708 bonds (distance) P-C4' energy: -151.236 flat angles C4'-P-C4' energy: -165.231 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -91.023 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: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1128.374922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.374922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.374922 (E_RNA) where: Base-Base interactions energy: -577.715 where: short stacking energy: -346.537 Base-Backbone interact. energy: -3.939 local terms energy: -546.720725 where: bonds (distance) C4'-P energy: -160.162 bonds (distance) P-C4' energy: -153.420 flat angles C4'-P-C4' energy: -140.560 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -25.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -878.657515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.657515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.657515 (E_RNA) where: Base-Base interactions energy: -386.091 where: short stacking energy: -245.069 Base-Backbone interact. energy: 3.382 local terms energy: -495.947735 where: bonds (distance) C4'-P energy: -129.561 bonds (distance) P-C4' energy: -150.079 flat angles C4'-P-C4' energy: -155.236 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: 20.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -878.288988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.288988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.288988 (E_RNA) where: Base-Base interactions energy: -411.718 where: short stacking energy: -225.413 Base-Backbone interact. energy: 3.185 local terms energy: -469.756246 where: bonds (distance) C4'-P energy: -139.130 bonds (distance) P-C4' energy: -155.432 flat angles C4'-P-C4' energy: -133.344 flat angles P-C4'-P energy: -63.085 tors. eta vs tors. theta energy: 21.235 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: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3130.859867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.859867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.859867 (E_RNA) where: Base-Base interactions energy: -2144.899 where: short stacking energy: -921.613 Base-Backbone interact. energy: -1.623 local terms energy: -984.337626 where: bonds (distance) C4'-P energy: -174.936 bonds (distance) P-C4' energy: -175.732 flat angles C4'-P-C4' energy: -211.016 flat angles P-C4'-P energy: -151.576 tors. eta vs tors. theta energy: -271.078 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: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2921.406434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.406434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.406434 (E_RNA) where: Base-Base interactions energy: -2010.640 where: short stacking energy: -863.450 Base-Backbone interact. energy: -2.669 local terms energy: -908.097913 where: bonds (distance) C4'-P energy: -161.773 bonds (distance) P-C4' energy: -173.943 flat angles C4'-P-C4' energy: -192.865 flat angles P-C4'-P energy: -134.254 tors. eta vs tors. theta energy: -245.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2857.715292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.715292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.715292 (E_RNA) where: Base-Base interactions energy: -1936.422 where: short stacking energy: -853.875 Base-Backbone interact. energy: -3.312 local terms energy: -917.980707 where: bonds (distance) C4'-P energy: -180.160 bonds (distance) P-C4' energy: -161.152 flat angles C4'-P-C4' energy: -201.461 flat angles P-C4'-P energy: -123.464 tors. eta vs tors. theta energy: -251.743 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: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2623.679776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.679776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.679776 (E_RNA) where: Base-Base interactions energy: -1776.969 where: short stacking energy: -732.693 Base-Backbone interact. energy: -2.452 local terms energy: -844.259176 where: bonds (distance) C4'-P energy: -149.693 bonds (distance) P-C4' energy: -167.347 flat angles C4'-P-C4' energy: -186.292 flat angles P-C4'-P energy: -125.252 tors. eta vs tors. theta energy: -215.676 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: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2400.977558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.977558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.977558 (E_RNA) where: Base-Base interactions energy: -1559.848 where: short stacking energy: -738.193 Base-Backbone interact. energy: -0.267 local terms energy: -840.862791 where: bonds (distance) C4'-P energy: -179.052 bonds (distance) P-C4' energy: -174.193 flat angles C4'-P-C4' energy: -189.402 flat angles P-C4'-P energy: -100.948 tors. eta vs tors. theta energy: -197.268 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: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2194.009793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.009793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.009793 (E_RNA) where: Base-Base interactions energy: -1442.219 where: short stacking energy: -679.274 Base-Backbone interact. energy: -1.004 local terms energy: -750.787363 where: bonds (distance) C4'-P energy: -147.192 bonds (distance) P-C4' energy: -151.183 flat angles C4'-P-C4' energy: -178.227 flat angles P-C4'-P energy: -102.459 tors. eta vs tors. theta energy: -171.726 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: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1747.493422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.493422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.493422 (E_RNA) where: Base-Base interactions energy: -1083.041 where: short stacking energy: -530.466 Base-Backbone interact. energy: 7.239 local terms energy: -671.691555 where: bonds (distance) C4'-P energy: -158.421 bonds (distance) P-C4' energy: -161.009 flat angles C4'-P-C4' energy: -143.354 flat angles P-C4'-P energy: -92.102 tors. eta vs tors. theta energy: -116.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1117.486087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.486087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.486087 (E_RNA) where: Base-Base interactions energy: -577.057 where: short stacking energy: -337.932 Base-Backbone interact. energy: 0.042 local terms energy: -540.471035 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -154.356 flat angles C4'-P-C4' energy: -143.545 flat angles P-C4'-P energy: -95.699 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1002.273525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.273525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.273525 (E_RNA) where: Base-Base interactions energy: -529.744 where: short stacking energy: -289.409 Base-Backbone interact. energy: -1.982 local terms energy: -470.547102 where: bonds (distance) C4'-P energy: -134.649 bonds (distance) P-C4' energy: -151.017 flat angles C4'-P-C4' energy: -132.812 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: 18.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -858.539899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.539899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.539899 (E_RNA) where: Base-Base interactions energy: -412.163 where: short stacking energy: -245.194 Base-Backbone interact. energy: 1.808 local terms energy: -448.184273 where: bonds (distance) C4'-P energy: -133.302 bonds (distance) P-C4' energy: -149.671 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -86.938 tors. eta vs tors. theta energy: 28.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3150.052683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.052683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.052683 (E_RNA) where: Base-Base interactions energy: -2156.544 where: short stacking energy: -920.985 Base-Backbone interact. energy: -3.237 local terms energy: -990.271779 where: bonds (distance) C4'-P energy: -188.700 bonds (distance) P-C4' energy: -189.674 flat angles C4'-P-C4' energy: -214.662 flat angles P-C4'-P energy: -130.056 tors. eta vs tors. theta energy: -267.181 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: 327 Temperature: 0.950000 Total energy: -2905.696237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.696237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.696237 (E_RNA) where: Base-Base interactions energy: -2018.545 where: short stacking energy: -864.186 Base-Backbone interact. energy: -0.683 local terms energy: -886.468868 where: bonds (distance) C4'-P energy: -161.515 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -198.674 flat angles P-C4'-P energy: -140.632 tors. eta vs tors. theta energy: -228.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2846.429280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.429280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.429280 (E_RNA) where: Base-Base interactions energy: -1917.954 where: short stacking energy: -824.883 Base-Backbone interact. energy: -6.541 local terms energy: -921.934416 where: bonds (distance) C4'-P energy: -165.800 bonds (distance) P-C4' energy: -166.703 flat angles C4'-P-C4' energy: -203.111 flat angles P-C4'-P energy: -131.759 tors. eta vs tors. theta energy: -254.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2595.599322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.599322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.599322 (E_RNA) where: Base-Base interactions energy: -1679.184 where: short stacking energy: -748.504 Base-Backbone interact. energy: -1.827 local terms energy: -914.588275 where: bonds (distance) C4'-P energy: -169.736 bonds (distance) P-C4' energy: -181.756 flat angles C4'-P-C4' energy: -196.868 flat angles P-C4'-P energy: -132.747 tors. eta vs tors. theta energy: -233.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2430.914139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.914139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.914139 (E_RNA) where: Base-Base interactions energy: -1603.895 where: short stacking energy: -703.358 Base-Backbone interact. energy: -2.678 local terms energy: -824.340619 where: bonds (distance) C4'-P energy: -166.126 bonds (distance) P-C4' energy: -158.060 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -124.439 tors. eta vs tors. theta energy: -197.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2248.427558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.427558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.427558 (E_RNA) where: Base-Base interactions energy: -1446.944 where: short stacking energy: -673.758 Base-Backbone interact. energy: -4.137 local terms energy: -797.345953 where: bonds (distance) C4'-P energy: -167.190 bonds (distance) P-C4' energy: -164.896 flat angles C4'-P-C4' energy: -181.327 flat angles P-C4'-P energy: -114.065 tors. eta vs tors. theta energy: -169.869 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: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1788.455454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.455454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.455454 (E_RNA) where: Base-Base interactions energy: -1105.631 where: short stacking energy: -486.607 Base-Backbone interact. energy: 0.667 local terms energy: -683.491374 where: bonds (distance) C4'-P energy: -160.450 bonds (distance) P-C4' energy: -161.771 flat angles C4'-P-C4' energy: -161.914 flat angles P-C4'-P energy: -86.969 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: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1161.915459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.915459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.915459 (E_RNA) where: Base-Base interactions energy: -599.049 where: short stacking energy: -350.060 Base-Backbone interact. energy: 1.772 local terms energy: -564.637874 where: bonds (distance) C4'-P energy: -158.060 bonds (distance) P-C4' energy: -150.341 flat angles C4'-P-C4' energy: -137.758 flat angles P-C4'-P energy: -85.160 tors. eta vs tors. theta energy: -33.319 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: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1037.261421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.261421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.261421 (E_RNA) where: Base-Base interactions energy: -557.379 where: short stacking energy: -292.682 Base-Backbone interact. energy: -1.072 local terms energy: -478.810531 where: bonds (distance) C4'-P energy: -151.736 bonds (distance) P-C4' energy: -150.703 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: 8.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -755.952254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.952254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.952254 (E_RNA) where: Base-Base interactions energy: -326.238 where: short stacking energy: -193.977 Base-Backbone interact. energy: 1.091 local terms energy: -430.805057 where: bonds (distance) C4'-P energy: -137.711 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -134.528 flat angles P-C4'-P energy: -79.699 tors. eta vs tors. theta energy: 57.170 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: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3107.711069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.711069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.711069 (E_RNA) where: Base-Base interactions energy: -2103.249 where: short stacking energy: -866.382 Base-Backbone interact. energy: -3.601 local terms energy: -1000.860705 where: bonds (distance) C4'-P energy: -183.047 bonds (distance) P-C4' energy: -184.178 flat angles C4'-P-C4' energy: -216.681 flat angles P-C4'-P energy: -145.386 tors. eta vs tors. theta energy: -271.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2961.414967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.414967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.414967 (E_RNA) where: Base-Base interactions energy: -2021.594 where: short stacking energy: -871.045 Base-Backbone interact. energy: -4.475 local terms energy: -935.346256 where: bonds (distance) C4'-P energy: -177.296 bonds (distance) P-C4' energy: -178.202 flat angles C4'-P-C4' energy: -207.496 flat angles P-C4'-P energy: -131.334 tors. eta vs tors. theta energy: -241.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2826.133526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.133526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.133526 (E_RNA) where: Base-Base interactions energy: -1911.983 where: short stacking energy: -809.687 Base-Backbone interact. energy: 1.486 local terms energy: -915.637018 where: bonds (distance) C4'-P energy: -166.491 bonds (distance) P-C4' energy: -178.049 flat angles C4'-P-C4' energy: -198.527 flat angles P-C4'-P energy: -122.118 tors. eta vs tors. theta energy: -250.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2575.981211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.981211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.981211 (E_RNA) where: Base-Base interactions energy: -1717.651 where: short stacking energy: -755.100 Base-Backbone interact. energy: 1.935 local terms energy: -860.264752 where: bonds (distance) C4'-P energy: -175.047 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -188.139 flat angles P-C4'-P energy: -118.931 tors. eta vs tors. theta energy: -220.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2405.780024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.780024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.780024 (E_RNA) where: Base-Base interactions energy: -1595.750 where: short stacking energy: -751.164 Base-Backbone interact. energy: 2.425 local terms energy: -812.455242 where: bonds (distance) C4'-P energy: -139.164 bonds (distance) P-C4' energy: -163.510 flat angles C4'-P-C4' energy: -182.815 flat angles P-C4'-P energy: -125.949 tors. eta vs tors. theta energy: -201.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2308.438047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.438047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.438047 (E_RNA) where: Base-Base interactions energy: -1538.721 where: short stacking energy: -690.296 Base-Backbone interact. energy: 1.360 local terms energy: -771.077301 where: bonds (distance) C4'-P energy: -133.001 bonds (distance) P-C4' energy: -163.628 flat angles C4'-P-C4' energy: -181.353 flat angles P-C4'-P energy: -114.623 tors. eta vs tors. theta energy: -178.473 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: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1827.024603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.024603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.024603 (E_RNA) where: Base-Base interactions energy: -1120.471 where: short stacking energy: -497.456 Base-Backbone interact. energy: 7.728 local terms energy: -714.281600 where: bonds (distance) C4'-P energy: -141.844 bonds (distance) P-C4' energy: -189.392 flat angles C4'-P-C4' energy: -170.718 flat angles P-C4'-P energy: -100.239 tors. eta vs tors. theta energy: -112.089 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: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1175.226900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.226900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.226900 (E_RNA) where: Base-Base interactions energy: -640.984 where: short stacking energy: -338.845 Base-Backbone interact. energy: -1.484 local terms energy: -532.759215 where: bonds (distance) C4'-P energy: -152.919 bonds (distance) P-C4' energy: -160.285 flat angles C4'-P-C4' energy: -126.540 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: -26.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -948.101995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.101995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.101995 (E_RNA) where: Base-Base interactions energy: -471.233 where: short stacking energy: -278.554 Base-Backbone interact. energy: 1.294 local terms energy: -478.163047 where: bonds (distance) C4'-P energy: -142.236 bonds (distance) P-C4' energy: -153.092 flat angles C4'-P-C4' energy: -121.664 flat angles P-C4'-P energy: -60.963 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -729.487466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.487466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.487466 (E_RNA) where: Base-Base interactions energy: -284.245 where: short stacking energy: -198.944 Base-Backbone interact. energy: -1.295 local terms energy: -443.947574 where: bonds (distance) C4'-P energy: -112.490 bonds (distance) P-C4' energy: -168.211 flat angles C4'-P-C4' energy: -107.305 flat angles P-C4'-P energy: -78.408 tors. eta vs tors. theta energy: 22.466 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: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3095.671231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.671231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.671231 (E_RNA) where: Base-Base interactions energy: -2096.266 where: short stacking energy: -885.957 Base-Backbone interact. energy: -2.889 local terms energy: -996.517117 where: bonds (distance) C4'-P energy: -184.156 bonds (distance) P-C4' energy: -183.517 flat angles C4'-P-C4' energy: -222.529 flat angles P-C4'-P energy: -143.539 tors. eta vs tors. theta energy: -262.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2966.353819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.353819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.353819 (E_RNA) where: Base-Base interactions energy: -2014.125 where: short stacking energy: -854.919 Base-Backbone interact. energy: -1.310 local terms energy: -950.918180 where: bonds (distance) C4'-P energy: -165.525 bonds (distance) P-C4' energy: -190.577 flat angles C4'-P-C4' energy: -191.002 flat angles P-C4'-P energy: -147.609 tors. eta vs tors. theta energy: -256.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2799.843989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.843989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.843989 (E_RNA) where: Base-Base interactions energy: -1904.891 where: short stacking energy: -853.327 Base-Backbone interact. energy: 1.557 local terms energy: -896.509481 where: bonds (distance) C4'-P energy: -159.313 bonds (distance) P-C4' energy: -165.829 flat angles C4'-P-C4' energy: -196.415 flat angles P-C4'-P energy: -132.494 tors. eta vs tors. theta energy: -242.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2616.771168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.771168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.771168 (E_RNA) where: Base-Base interactions energy: -1774.758 where: short stacking energy: -794.988 Base-Backbone interact. energy: -0.102 local terms energy: -841.910545 where: bonds (distance) C4'-P energy: -163.985 bonds (distance) P-C4' energy: -151.419 flat angles C4'-P-C4' energy: -175.759 flat angles P-C4'-P energy: -113.476 tors. eta vs tors. theta energy: -237.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2406.967240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.967240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.967240 (E_RNA) where: Base-Base interactions energy: -1563.788 where: short stacking energy: -726.126 Base-Backbone interact. energy: -1.236 local terms energy: -841.942575 where: bonds (distance) C4'-P energy: -152.353 bonds (distance) P-C4' energy: -163.164 flat angles C4'-P-C4' energy: -193.217 flat angles P-C4'-P energy: -117.012 tors. eta vs tors. theta energy: -216.196 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: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2259.857582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.857582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.857582 (E_RNA) where: Base-Base interactions energy: -1499.804 where: short stacking energy: -707.920 Base-Backbone interact. energy: -3.670 local terms energy: -756.384174 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -151.838 flat angles C4'-P-C4' energy: -169.130 flat angles P-C4'-P energy: -104.006 tors. eta vs tors. theta energy: -181.609 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: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1906.218243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.218243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.218243 (E_RNA) where: Base-Base interactions energy: -1194.346 where: short stacking energy: -524.176 Base-Backbone interact. energy: -4.358 local terms energy: -707.514934 where: bonds (distance) C4'-P energy: -156.644 bonds (distance) P-C4' energy: -163.106 flat angles C4'-P-C4' energy: -166.694 flat angles P-C4'-P energy: -116.090 tors. eta vs tors. theta energy: -104.981 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: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1164.912235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.912235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.912235 (E_RNA) where: Base-Base interactions energy: -607.491 where: short stacking energy: -343.593 Base-Backbone interact. energy: 0.401 local terms energy: -557.822468 where: bonds (distance) C4'-P energy: -168.482 bonds (distance) P-C4' energy: -162.547 flat angles C4'-P-C4' energy: -127.487 flat angles P-C4'-P energy: -67.710 tors. eta vs tors. theta energy: -31.597 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -973.671419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.671419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.671419 (E_RNA) where: Base-Base interactions energy: -451.330 where: short stacking energy: -246.781 Base-Backbone interact. energy: 7.641 local terms energy: -529.983168 where: bonds (distance) C4'-P energy: -155.451 bonds (distance) P-C4' energy: -167.946 flat angles C4'-P-C4' energy: -117.843 flat angles P-C4'-P energy: -93.132 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: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -779.547470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.547470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.547470 (E_RNA) where: Base-Base interactions energy: -313.010 where: short stacking energy: -214.169 Base-Backbone interact. energy: 0.844 local terms energy: -467.381944 where: bonds (distance) C4'-P energy: -148.177 bonds (distance) P-C4' energy: -140.952 flat angles C4'-P-C4' energy: -134.740 flat angles P-C4'-P energy: -71.628 tors. eta vs tors. theta energy: 28.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3088.712232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.712232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.712232 (E_RNA) where: Base-Base interactions energy: -2124.866 where: short stacking energy: -905.557 Base-Backbone interact. energy: -1.024 local terms energy: -962.821419 where: bonds (distance) C4'-P energy: -179.757 bonds (distance) P-C4' energy: -171.440 flat angles C4'-P-C4' energy: -204.873 flat angles P-C4'-P energy: -145.698 tors. eta vs tors. theta energy: -261.053 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: 330 Temperature: 0.950000 Total energy: -2928.328374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.328374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.328374 (E_RNA) where: Base-Base interactions energy: -2007.158 where: short stacking energy: -847.881 Base-Backbone interact. energy: -2.855 local terms energy: -918.315357 where: bonds (distance) C4'-P energy: -168.044 bonds (distance) P-C4' energy: -185.235 flat angles C4'-P-C4' energy: -200.271 flat angles P-C4'-P energy: -138.072 tors. eta vs tors. theta energy: -226.693 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: 330 Temperature: 1.000000 Total energy: -2816.021591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.021591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.021591 (E_RNA) where: Base-Base interactions energy: -1934.469 where: short stacking energy: -851.925 Base-Backbone interact. energy: -0.824 local terms energy: -880.728720 where: bonds (distance) C4'-P energy: -179.232 bonds (distance) P-C4' energy: -150.979 flat angles C4'-P-C4' energy: -196.346 flat angles P-C4'-P energy: -127.717 tors. eta vs tors. theta energy: -226.455 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: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2593.435948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.435948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.435948 (E_RNA) where: Base-Base interactions energy: -1692.668 where: short stacking energy: -731.833 Base-Backbone interact. energy: -4.032 local terms energy: -896.736269 where: bonds (distance) C4'-P energy: -167.023 bonds (distance) P-C4' energy: -193.713 flat angles C4'-P-C4' energy: -171.875 flat angles P-C4'-P energy: -143.145 tors. eta vs tors. theta energy: -220.980 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: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2413.096324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.096324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.096324 (E_RNA) where: Base-Base interactions energy: -1617.190 where: short stacking energy: -715.474 Base-Backbone interact. energy: -1.017 local terms energy: -794.888607 where: bonds (distance) C4'-P energy: -148.550 bonds (distance) P-C4' energy: -161.187 flat angles C4'-P-C4' energy: -177.127 flat angles P-C4'-P energy: -112.865 tors. eta vs tors. theta energy: -195.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2212.324476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.324476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.324476 (E_RNA) where: Base-Base interactions energy: -1464.304 where: short stacking energy: -622.220 Base-Backbone interact. energy: 0.222 local terms energy: -748.242778 where: bonds (distance) C4'-P energy: -150.052 bonds (distance) P-C4' energy: -169.853 flat angles C4'-P-C4' energy: -172.780 flat angles P-C4'-P energy: -109.455 tors. eta vs tors. theta energy: -146.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1861.958468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.958468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.958468 (E_RNA) where: Base-Base interactions energy: -1185.796 where: short stacking energy: -564.062 Base-Backbone interact. energy: 2.683 local terms energy: -678.845536 where: bonds (distance) C4'-P energy: -145.007 bonds (distance) P-C4' energy: -137.362 flat angles C4'-P-C4' energy: -163.027 flat angles P-C4'-P energy: -112.117 tors. eta vs tors. theta energy: -121.332 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: 8, replica: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1207.997732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.997732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.997732 (E_RNA) where: Base-Base interactions energy: -681.041 where: short stacking energy: -360.383 Base-Backbone interact. energy: 2.749 local terms energy: -529.705714 where: bonds (distance) C4'-P energy: -131.078 bonds (distance) P-C4' energy: -150.662 flat angles C4'-P-C4' energy: -140.619 flat angles P-C4'-P energy: -70.261 tors. eta vs tors. theta energy: -37.085 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: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -983.510148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.510148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.510148 (E_RNA) where: Base-Base interactions energy: -480.519 where: short stacking energy: -297.403 Base-Backbone interact. energy: 4.054 local terms energy: -507.045537 where: bonds (distance) C4'-P energy: -130.614 bonds (distance) P-C4' energy: -164.288 flat angles C4'-P-C4' energy: -139.946 flat angles P-C4'-P energy: -74.506 tors. eta vs tors. theta energy: 2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -731.486007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.486007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.486007 (E_RNA) where: Base-Base interactions energy: -275.324 where: short stacking energy: -195.242 Base-Backbone interact. energy: -0.578 local terms energy: -455.584129 where: bonds (distance) C4'-P energy: -143.411 bonds (distance) P-C4' energy: -145.644 flat angles C4'-P-C4' energy: -131.809 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: 33.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3082.230709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.230709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.230709 (E_RNA) where: Base-Base interactions energy: -2095.189 where: short stacking energy: -914.695 Base-Backbone interact. energy: -4.733 local terms energy: -982.308552 where: bonds (distance) C4'-P energy: -182.871 bonds (distance) P-C4' energy: -180.463 flat angles C4'-P-C4' energy: -204.470 flat angles P-C4'-P energy: -141.581 tors. eta vs tors. theta energy: -272.923 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: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2936.191065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.191065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.191065 (E_RNA) where: Base-Base interactions energy: -2005.553 where: short stacking energy: -858.135 Base-Backbone interact. energy: -3.368 local terms energy: -927.269858 where: bonds (distance) C4'-P energy: -166.615 bonds (distance) P-C4' energy: -180.572 flat angles C4'-P-C4' energy: -195.813 flat angles P-C4'-P energy: -129.977 tors. eta vs tors. theta energy: -254.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2780.440528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.440528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.440528 (E_RNA) where: Base-Base interactions energy: -1899.438 where: short stacking energy: -835.958 Base-Backbone interact. energy: 2.428 local terms energy: -883.430621 where: bonds (distance) C4'-P energy: -156.400 bonds (distance) P-C4' energy: -159.528 flat angles C4'-P-C4' energy: -205.738 flat angles P-C4'-P energy: -123.858 tors. eta vs tors. theta energy: -237.907 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: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2593.510611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.510611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.510611 (E_RNA) where: Base-Base interactions energy: -1725.146 where: short stacking energy: -762.976 Base-Backbone interact. energy: -5.256 local terms energy: -863.109124 where: bonds (distance) C4'-P energy: -171.062 bonds (distance) P-C4' energy: -170.588 flat angles C4'-P-C4' energy: -180.758 flat angles P-C4'-P energy: -117.834 tors. eta vs tors. theta energy: -222.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2406.543042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.543042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.543042 (E_RNA) where: Base-Base interactions energy: -1568.816 where: short stacking energy: -732.285 Base-Backbone interact. energy: 1.664 local terms energy: -839.390529 where: bonds (distance) C4'-P energy: -166.837 bonds (distance) P-C4' energy: -179.497 flat angles C4'-P-C4' energy: -179.774 flat angles P-C4'-P energy: -117.639 tors. eta vs tors. theta energy: -195.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2203.314303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.314303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.314303 (E_RNA) where: Base-Base interactions energy: -1434.005 where: short stacking energy: -653.173 Base-Backbone interact. energy: -2.919 local terms energy: -766.390093 where: bonds (distance) C4'-P energy: -160.222 bonds (distance) P-C4' energy: -170.996 flat angles C4'-P-C4' energy: -171.796 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -170.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1912.927747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.927747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.927747 (E_RNA) where: Base-Base interactions energy: -1262.427 where: short stacking energy: -575.089 Base-Backbone interact. energy: -0.200 local terms energy: -650.300416 where: bonds (distance) C4'-P energy: -132.047 bonds (distance) P-C4' energy: -150.572 flat angles C4'-P-C4' energy: -161.858 flat angles P-C4'-P energy: -88.324 tors. eta vs tors. theta energy: -117.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1170.179034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.179034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.179034 (E_RNA) where: Base-Base interactions energy: -631.126 where: short stacking energy: -295.809 Base-Backbone interact. energy: -3.826 local terms energy: -535.227424 where: bonds (distance) C4'-P energy: -147.696 bonds (distance) P-C4' energy: -165.630 flat angles C4'-P-C4' energy: -157.914 flat angles P-C4'-P energy: -80.798 tors. eta vs tors. theta energy: 16.811 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: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1028.261020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.261020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.261020 (E_RNA) where: Base-Base interactions energy: -530.457 where: short stacking energy: -300.130 Base-Backbone interact. energy: -2.777 local terms energy: -495.027511 where: bonds (distance) C4'-P energy: -126.775 bonds (distance) P-C4' energy: -154.692 flat angles C4'-P-C4' energy: -121.196 flat angles P-C4'-P energy: -93.047 tors. eta vs tors. theta energy: 0.682 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: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -792.964132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.964132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.964132 (E_RNA) where: Base-Base interactions energy: -322.797 where: short stacking energy: -222.856 Base-Backbone interact. energy: 7.827 local terms energy: -477.994689 where: bonds (distance) C4'-P energy: -156.253 bonds (distance) P-C4' energy: -147.429 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: 26.122 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: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3078.373426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.373426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.373426 (E_RNA) where: Base-Base interactions energy: -2100.177 where: short stacking energy: -901.502 Base-Backbone interact. energy: -6.240 local terms energy: -971.956604 where: bonds (distance) C4'-P energy: -180.545 bonds (distance) P-C4' energy: -180.443 flat angles C4'-P-C4' energy: -208.253 flat angles P-C4'-P energy: -137.155 tors. eta vs tors. theta energy: -265.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2920.444693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.444693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.444693 (E_RNA) where: Base-Base interactions energy: -2005.128 where: short stacking energy: -857.276 Base-Backbone interact. energy: -5.720 local terms energy: -909.596355 where: bonds (distance) C4'-P energy: -162.677 bonds (distance) P-C4' energy: -183.782 flat angles C4'-P-C4' energy: -201.435 flat angles P-C4'-P energy: -142.701 tors. eta vs tors. theta energy: -219.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2774.390554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.390554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.390554 (E_RNA) where: Base-Base interactions energy: -1891.196 where: short stacking energy: -824.689 Base-Backbone interact. energy: 3.254 local terms energy: -886.447783 where: bonds (distance) C4'-P energy: -168.397 bonds (distance) P-C4' energy: -156.534 flat angles C4'-P-C4' energy: -199.952 flat angles P-C4'-P energy: -123.973 tors. eta vs tors. theta energy: -237.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2611.383361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.383361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.383361 (E_RNA) where: Base-Base interactions energy: -1718.169 where: short stacking energy: -767.544 Base-Backbone interact. energy: -3.617 local terms energy: -889.597079 where: bonds (distance) C4'-P energy: -171.728 bonds (distance) P-C4' energy: -183.527 flat angles C4'-P-C4' energy: -197.124 flat angles P-C4'-P energy: -109.797 tors. eta vs tors. theta energy: -227.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2274.596799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.596799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.596799 (E_RNA) where: Base-Base interactions energy: -1461.975 where: short stacking energy: -667.001 Base-Backbone interact. energy: -1.663 local terms energy: -810.959292 where: bonds (distance) C4'-P energy: -162.494 bonds (distance) P-C4' energy: -163.105 flat angles C4'-P-C4' energy: -190.242 flat angles P-C4'-P energy: -117.020 tors. eta vs tors. theta energy: -178.098 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: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2342.987412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.987412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.987412 (E_RNA) where: Base-Base interactions energy: -1519.972 where: short stacking energy: -697.378 Base-Backbone interact. energy: -2.040 local terms energy: -820.975224 where: bonds (distance) C4'-P energy: -168.138 bonds (distance) P-C4' energy: -141.537 flat angles C4'-P-C4' energy: -180.373 flat angles P-C4'-P energy: -128.717 tors. eta vs tors. theta energy: -202.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1828.029828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.029828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.029828 (E_RNA) where: Base-Base interactions energy: -1139.061 where: short stacking energy: -510.845 Base-Backbone interact. energy: -4.212 local terms energy: -684.756703 where: bonds (distance) C4'-P energy: -153.674 bonds (distance) P-C4' energy: -152.720 flat angles C4'-P-C4' energy: -142.114 flat angles P-C4'-P energy: -117.780 tors. eta vs tors. theta energy: -118.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1129.631461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.631461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.631461 (E_RNA) where: Base-Base interactions energy: -606.070 where: short stacking energy: -353.154 Base-Backbone interact. energy: 0.354 local terms energy: -523.915375 where: bonds (distance) C4'-P energy: -122.623 bonds (distance) P-C4' energy: -148.652 flat angles C4'-P-C4' energy: -156.854 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -28.086 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: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -977.347487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.347487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.347487 (E_RNA) where: Base-Base interactions energy: -485.445 where: short stacking energy: -266.206 Base-Backbone interact. energy: -2.280 local terms energy: -489.622902 where: bonds (distance) C4'-P energy: -166.600 bonds (distance) P-C4' energy: -145.493 flat angles C4'-P-C4' energy: -136.319 flat angles P-C4'-P energy: -57.449 tors. eta vs tors. theta energy: 16.238 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -822.812640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.812640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.812640 (E_RNA) where: Base-Base interactions energy: -345.295 where: short stacking energy: -215.416 Base-Backbone interact. energy: 0.906 local terms energy: -478.424354 where: bonds (distance) C4'-P energy: -149.982 bonds (distance) P-C4' energy: -134.349 flat angles C4'-P-C4' energy: -149.895 flat angles P-C4'-P energy: -73.480 tors. eta vs tors. theta energy: 29.282 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: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3121.472575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.472575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.472575 (E_RNA) where: Base-Base interactions energy: -2130.028 where: short stacking energy: -919.975 Base-Backbone interact. energy: -3.541 local terms energy: -987.903204 where: bonds (distance) C4'-P energy: -188.314 bonds (distance) P-C4' energy: -174.060 flat angles C4'-P-C4' energy: -215.688 flat angles P-C4'-P energy: -146.727 tors. eta vs tors. theta energy: -263.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2961.131621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.131621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.131621 (E_RNA) where: Base-Base interactions energy: -2069.754 where: short stacking energy: -875.705 Base-Backbone interact. energy: -2.187 local terms energy: -889.191235 where: bonds (distance) C4'-P energy: -157.438 bonds (distance) P-C4' energy: -152.151 flat angles C4'-P-C4' energy: -201.945 flat angles P-C4'-P energy: -130.979 tors. eta vs tors. theta energy: -246.678 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: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2791.818313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.818313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.818313 (E_RNA) where: Base-Base interactions energy: -1903.495 where: short stacking energy: -861.464 Base-Backbone interact. energy: 3.893 local terms energy: -892.215811 where: bonds (distance) C4'-P energy: -159.758 bonds (distance) P-C4' energy: -168.792 flat angles C4'-P-C4' energy: -188.293 flat angles P-C4'-P energy: -141.249 tors. eta vs tors. theta energy: -234.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2582.118719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.118719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.118719 (E_RNA) where: Base-Base interactions energy: -1724.888 where: short stacking energy: -787.768 Base-Backbone interact. energy: -1.503 local terms energy: -855.727329 where: bonds (distance) C4'-P energy: -157.723 bonds (distance) P-C4' energy: -168.224 flat angles C4'-P-C4' energy: -185.328 flat angles P-C4'-P energy: -120.321 tors. eta vs tors. theta energy: -224.131 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: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2381.376152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.376152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.376152 (E_RNA) where: Base-Base interactions energy: -1578.484 where: short stacking energy: -707.625 Base-Backbone interact. energy: -0.027 local terms energy: -802.864918 where: bonds (distance) C4'-P energy: -163.682 bonds (distance) P-C4' energy: -157.606 flat angles C4'-P-C4' energy: -169.157 flat angles P-C4'-P energy: -127.912 tors. eta vs tors. theta energy: -184.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2322.944137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.944137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.944137 (E_RNA) where: Base-Base interactions energy: -1569.924 where: short stacking energy: -723.256 Base-Backbone interact. energy: -2.119 local terms energy: -750.900545 where: bonds (distance) C4'-P energy: -115.350 bonds (distance) P-C4' energy: -156.295 flat angles C4'-P-C4' energy: -165.745 flat angles P-C4'-P energy: -105.057 tors. eta vs tors. theta energy: -208.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1799.268517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.268517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.268517 (E_RNA) where: Base-Base interactions energy: -1111.592 where: short stacking energy: -497.151 Base-Backbone interact. energy: -1.679 local terms energy: -685.997481 where: bonds (distance) C4'-P energy: -160.445 bonds (distance) P-C4' energy: -159.365 flat angles C4'-P-C4' energy: -168.792 flat angles P-C4'-P energy: -97.999 tors. eta vs tors. theta energy: -99.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1139.225440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.225440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.225440 (E_RNA) where: Base-Base interactions energy: -566.371 where: short stacking energy: -319.934 Base-Backbone interact. energy: -4.809 local terms energy: -568.045125 where: bonds (distance) C4'-P energy: -139.280 bonds (distance) P-C4' energy: -160.852 flat angles C4'-P-C4' energy: -148.534 flat angles P-C4'-P energy: -99.208 tors. eta vs tors. theta energy: -20.171 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: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -934.506786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.506786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.506786 (E_RNA) where: Base-Base interactions energy: -411.874 where: short stacking energy: -262.318 Base-Backbone interact. energy: 4.691 local terms energy: -527.324032 where: bonds (distance) C4'-P energy: -158.143 bonds (distance) P-C4' energy: -143.655 flat angles C4'-P-C4' energy: -160.819 flat angles P-C4'-P energy: -65.674 tors. eta vs tors. theta energy: 0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -794.860007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.860007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.860007 (E_RNA) where: Base-Base interactions energy: -322.106 where: short stacking energy: -219.899 Base-Backbone interact. energy: 6.149 local terms energy: -478.903038 where: bonds (distance) C4'-P energy: -134.873 bonds (distance) P-C4' energy: -144.700 flat angles C4'-P-C4' energy: -121.439 flat angles P-C4'-P energy: -98.272 tors. eta vs tors. theta energy: 20.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3088.959481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.959481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.959481 (E_RNA) where: Base-Base interactions energy: -2098.325 where: short stacking energy: -899.817 Base-Backbone interact. energy: -0.380 local terms energy: -990.254597 where: bonds (distance) C4'-P energy: -172.401 bonds (distance) P-C4' energy: -185.174 flat angles C4'-P-C4' energy: -224.785 flat angles P-C4'-P energy: -148.740 tors. eta vs tors. theta energy: -259.155 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: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2952.116777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.116777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.116777 (E_RNA) where: Base-Base interactions energy: -2005.432 where: short stacking energy: -824.152 Base-Backbone interact. energy: -2.234 local terms energy: -944.451020 where: bonds (distance) C4'-P energy: -166.929 bonds (distance) P-C4' energy: -194.732 flat angles C4'-P-C4' energy: -207.034 flat angles P-C4'-P energy: -137.151 tors. eta vs tors. theta energy: -238.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2806.186966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.186966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.186966 (E_RNA) where: Base-Base interactions energy: -1905.176 where: short stacking energy: -817.629 Base-Backbone interact. energy: -0.599 local terms energy: -900.411935 where: bonds (distance) C4'-P energy: -149.584 bonds (distance) P-C4' energy: -184.550 flat angles C4'-P-C4' energy: -203.540 flat angles P-C4'-P energy: -132.851 tors. eta vs tors. theta energy: -229.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2584.572170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.572170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.572170 (E_RNA) where: Base-Base interactions energy: -1699.163 where: short stacking energy: -735.927 Base-Backbone interact. energy: -5.351 local terms energy: -880.057760 where: bonds (distance) C4'-P energy: -173.939 bonds (distance) P-C4' energy: -179.853 flat angles C4'-P-C4' energy: -188.347 flat angles P-C4'-P energy: -118.831 tors. eta vs tors. theta energy: -219.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2422.254290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.254290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.254290 (E_RNA) where: Base-Base interactions energy: -1550.143 where: short stacking energy: -695.805 Base-Backbone interact. energy: -3.545 local terms energy: -868.565772 where: bonds (distance) C4'-P energy: -181.829 bonds (distance) P-C4' energy: -169.358 flat angles C4'-P-C4' energy: -187.509 flat angles P-C4'-P energy: -122.083 tors. eta vs tors. theta energy: -207.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2316.479431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.479431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.479431 (E_RNA) where: Base-Base interactions energy: -1504.555 where: short stacking energy: -643.883 Base-Backbone interact. energy: -1.961 local terms energy: -809.963411 where: bonds (distance) C4'-P energy: -170.410 bonds (distance) P-C4' energy: -158.610 flat angles C4'-P-C4' energy: -176.321 flat angles P-C4'-P energy: -111.517 tors. eta vs tors. theta energy: -193.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1863.885253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.885253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.885253 (E_RNA) where: Base-Base interactions energy: -1170.529 where: short stacking energy: -534.469 Base-Backbone interact. energy: -0.926 local terms energy: -692.429915 where: bonds (distance) C4'-P energy: -150.933 bonds (distance) P-C4' energy: -150.980 flat angles C4'-P-C4' energy: -166.995 flat angles P-C4'-P energy: -114.782 tors. eta vs tors. theta energy: -108.740 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: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1172.317539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.317539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.317539 (E_RNA) where: Base-Base interactions energy: -612.810 where: short stacking energy: -285.998 Base-Backbone interact. energy: 2.186 local terms energy: -561.692874 where: bonds (distance) C4'-P energy: -152.224 bonds (distance) P-C4' energy: -157.050 flat angles C4'-P-C4' energy: -159.978 flat angles P-C4'-P energy: -90.109 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -974.033293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.033293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.033293 (E_RNA) where: Base-Base interactions energy: -452.371 where: short stacking energy: -271.631 Base-Backbone interact. energy: -1.145 local terms energy: -520.516984 where: bonds (distance) C4'-P energy: -154.258 bonds (distance) P-C4' energy: -163.550 flat angles C4'-P-C4' energy: -126.286 flat angles P-C4'-P energy: -68.216 tors. eta vs tors. theta energy: -8.207 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: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -774.233283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.233283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.233283 (E_RNA) where: Base-Base interactions energy: -310.249 where: short stacking energy: -211.857 Base-Backbone interact. energy: -2.220 local terms energy: -461.764318 where: bonds (distance) C4'-P energy: -140.624 bonds (distance) P-C4' energy: -169.111 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: 23.883 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: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3123.831055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.831055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.831055 (E_RNA) where: Base-Base interactions energy: -2119.854 where: short stacking energy: -897.520 Base-Backbone interact. energy: -2.729 local terms energy: -1001.247921 where: bonds (distance) C4'-P energy: -195.235 bonds (distance) P-C4' energy: -195.393 flat angles C4'-P-C4' energy: -217.569 flat angles P-C4'-P energy: -125.145 tors. eta vs tors. theta energy: -267.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2954.912322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.912322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.912322 (E_RNA) where: Base-Base interactions energy: -2057.344 where: short stacking energy: -854.990 Base-Backbone interact. energy: -3.762 local terms energy: -893.805438 where: bonds (distance) C4'-P energy: -165.963 bonds (distance) P-C4' energy: -184.508 flat angles C4'-P-C4' energy: -193.148 flat angles P-C4'-P energy: -129.760 tors. eta vs tors. theta energy: -220.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2781.963587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.963587 (E_RNA) where: Base-Base interactions energy: -1904.774 where: short stacking energy: -842.328 Base-Backbone interact. energy: -0.443 local terms energy: -876.746446 where: bonds (distance) C4'-P energy: -163.363 bonds (distance) P-C4' energy: -171.001 flat angles C4'-P-C4' energy: -185.751 flat angles P-C4'-P energy: -113.718 tors. eta vs tors. theta energy: -242.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2619.979283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.979283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.979283 (E_RNA) where: Base-Base interactions energy: -1742.000 where: short stacking energy: -790.426 Base-Backbone interact. energy: -3.556 local terms energy: -874.423162 where: bonds (distance) C4'-P energy: -163.315 bonds (distance) P-C4' energy: -166.141 flat angles C4'-P-C4' energy: -187.114 flat angles P-C4'-P energy: -136.760 tors. eta vs tors. theta energy: -221.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2384.057918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.057918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.057918 (E_RNA) where: Base-Base interactions energy: -1567.521 where: short stacking energy: -715.861 Base-Backbone interact. energy: -4.535 local terms energy: -812.001661 where: bonds (distance) C4'-P energy: -175.708 bonds (distance) P-C4' energy: -153.922 flat angles C4'-P-C4' energy: -161.282 flat angles P-C4'-P energy: -111.898 tors. eta vs tors. theta energy: -209.192 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2362.399490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.399490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.399490 (E_RNA) where: Base-Base interactions energy: -1537.905 where: short stacking energy: -702.120 Base-Backbone interact. energy: -1.744 local terms energy: -822.750439 where: bonds (distance) C4'-P energy: -155.090 bonds (distance) P-C4' energy: -154.466 flat angles C4'-P-C4' energy: -192.570 flat angles P-C4'-P energy: -108.453 tors. eta vs tors. theta energy: -212.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1836.279490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.279490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.279490 (E_RNA) where: Base-Base interactions energy: -1151.911 where: short stacking energy: -528.833 Base-Backbone interact. energy: 0.974 local terms energy: -685.341966 where: bonds (distance) C4'-P energy: -145.183 bonds (distance) P-C4' energy: -150.171 flat angles C4'-P-C4' energy: -156.684 flat angles P-C4'-P energy: -119.832 tors. eta vs tors. theta energy: -113.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1244.459532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.459532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.459532 (E_RNA) where: Base-Base interactions energy: -665.130 where: short stacking energy: -359.735 Base-Backbone interact. energy: -7.255 local terms energy: -572.075157 where: bonds (distance) C4'-P energy: -150.903 bonds (distance) P-C4' energy: -156.961 flat angles C4'-P-C4' energy: -140.069 flat angles P-C4'-P energy: -81.051 tors. eta vs tors. theta energy: -43.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -904.561627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.561627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.561627 (E_RNA) where: Base-Base interactions energy: -394.548 where: short stacking energy: -232.821 Base-Backbone interact. energy: 0.029 local terms energy: -510.042521 where: bonds (distance) C4'-P energy: -146.533 bonds (distance) P-C4' energy: -152.930 flat angles C4'-P-C4' energy: -137.895 flat angles P-C4'-P energy: -87.932 tors. eta vs tors. theta energy: 15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -850.215621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.215621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.215621 (E_RNA) where: Base-Base interactions energy: -351.539 where: short stacking energy: -225.117 Base-Backbone interact. energy: 6.854 local terms energy: -505.530200 where: bonds (distance) C4'-P energy: -167.308 bonds (distance) P-C4' energy: -128.473 flat angles C4'-P-C4' energy: -144.746 flat angles P-C4'-P energy: -85.918 tors. eta vs tors. theta energy: 20.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3112.056539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.056539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.056539 (E_RNA) where: Base-Base interactions energy: -2128.976 where: short stacking energy: -943.421 Base-Backbone interact. energy: -1.491 local terms energy: -981.588807 where: bonds (distance) C4'-P energy: -177.047 bonds (distance) P-C4' energy: -180.991 flat angles C4'-P-C4' energy: -200.501 flat angles P-C4'-P energy: -139.705 tors. eta vs tors. theta energy: -283.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2982.577597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.577597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.577597 (E_RNA) where: Base-Base interactions energy: -2058.117 where: short stacking energy: -853.554 Base-Backbone interact. energy: 0.783 local terms energy: -925.243893 where: bonds (distance) C4'-P energy: -170.837 bonds (distance) P-C4' energy: -195.650 flat angles C4'-P-C4' energy: -195.664 flat angles P-C4'-P energy: -131.246 tors. eta vs tors. theta energy: -231.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2812.563604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.563604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.563604 (E_RNA) where: Base-Base interactions energy: -1905.289 where: short stacking energy: -868.877 Base-Backbone interact. energy: -5.057 local terms energy: -902.217915 where: bonds (distance) C4'-P energy: -173.641 bonds (distance) P-C4' energy: -153.279 flat angles C4'-P-C4' energy: -201.337 flat angles P-C4'-P energy: -126.511 tors. eta vs tors. theta energy: -247.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2543.444198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.444198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.444198 (E_RNA) where: Base-Base interactions energy: -1679.638 where: short stacking energy: -756.651 Base-Backbone interact. energy: -5.402 local terms energy: -858.404058 where: bonds (distance) C4'-P energy: -162.464 bonds (distance) P-C4' energy: -159.978 flat angles C4'-P-C4' energy: -178.895 flat angles P-C4'-P energy: -130.480 tors. eta vs tors. theta energy: -226.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2427.110892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.110892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.110892 (E_RNA) where: Base-Base interactions energy: -1578.936 where: short stacking energy: -713.145 Base-Backbone interact. energy: -1.559 local terms energy: -846.615897 where: bonds (distance) C4'-P energy: -173.290 bonds (distance) P-C4' energy: -182.334 flat angles C4'-P-C4' energy: -163.659 flat angles P-C4'-P energy: -126.015 tors. eta vs tors. theta energy: -201.318 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: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2392.875501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.875501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.875501 (E_RNA) where: Base-Base interactions energy: -1574.369 where: short stacking energy: -687.178 Base-Backbone interact. energy: -0.411 local terms energy: -818.095150 where: bonds (distance) C4'-P energy: -167.048 bonds (distance) P-C4' energy: -165.397 flat angles C4'-P-C4' energy: -173.136 flat angles P-C4'-P energy: -111.239 tors. eta vs tors. theta energy: -201.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1755.296602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.296602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.296602 (E_RNA) where: Base-Base interactions energy: -1083.145 where: short stacking energy: -505.234 Base-Backbone interact. energy: -3.091 local terms energy: -669.060696 where: bonds (distance) C4'-P energy: -163.144 bonds (distance) P-C4' energy: -162.207 flat angles C4'-P-C4' energy: -163.881 flat angles P-C4'-P energy: -75.677 tors. eta vs tors. theta energy: -104.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1207.229384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.229384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.229384 (E_RNA) where: Base-Base interactions energy: -645.841 where: short stacking energy: -316.354 Base-Backbone interact. energy: -2.829 local terms energy: -558.559612 where: bonds (distance) C4'-P energy: -148.221 bonds (distance) P-C4' energy: -154.404 flat angles C4'-P-C4' energy: -149.718 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -35.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -933.850502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.850502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.850502 (E_RNA) where: Base-Base interactions energy: -424.945 where: short stacking energy: -250.473 Base-Backbone interact. energy: 0.538 local terms energy: -509.443849 where: bonds (distance) C4'-P energy: -169.052 bonds (distance) P-C4' energy: -120.735 flat angles C4'-P-C4' energy: -127.363 flat angles P-C4'-P energy: -103.822 tors. eta vs tors. theta energy: 11.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -868.702112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.702112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.702112 (E_RNA) where: Base-Base interactions energy: -396.272 where: short stacking energy: -243.270 Base-Backbone interact. energy: 5.172 local terms energy: -477.602232 where: bonds (distance) C4'-P energy: -156.974 bonds (distance) P-C4' energy: -146.876 flat angles C4'-P-C4' energy: -130.207 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: 13.865 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: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3095.120462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.120462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.120462 (E_RNA) where: Base-Base interactions energy: -2118.786 where: short stacking energy: -916.550 Base-Backbone interact. energy: -3.354 local terms energy: -972.979878 where: bonds (distance) C4'-P energy: -174.999 bonds (distance) P-C4' energy: -177.095 flat angles C4'-P-C4' energy: -214.064 flat angles P-C4'-P energy: -138.932 tors. eta vs tors. theta energy: -267.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2976.530639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.530639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.530639 (E_RNA) where: Base-Base interactions energy: -2064.798 where: short stacking energy: -880.441 Base-Backbone interact. energy: -4.197 local terms energy: -907.536077 where: bonds (distance) C4'-P energy: -165.115 bonds (distance) P-C4' energy: -185.837 flat angles C4'-P-C4' energy: -191.831 flat angles P-C4'-P energy: -115.598 tors. eta vs tors. theta energy: -249.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2820.175805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.175805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.175805 (E_RNA) where: Base-Base interactions energy: -1891.135 where: short stacking energy: -825.656 Base-Backbone interact. energy: -3.730 local terms energy: -925.311217 where: bonds (distance) C4'-P energy: -172.105 bonds (distance) P-C4' energy: -183.054 flat angles C4'-P-C4' energy: -206.686 flat angles P-C4'-P energy: -118.491 tors. eta vs tors. theta energy: -244.975 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: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2606.032931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.032931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.032931 (E_RNA) where: Base-Base interactions energy: -1710.689 where: short stacking energy: -762.765 Base-Backbone interact. energy: 4.715 local terms energy: -900.059050 where: bonds (distance) C4'-P energy: -169.709 bonds (distance) P-C4' energy: -183.737 flat angles C4'-P-C4' energy: -189.095 flat angles P-C4'-P energy: -128.647 tors. eta vs tors. theta energy: -228.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2434.959655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.959655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.959655 (E_RNA) where: Base-Base interactions energy: -1604.316 where: short stacking energy: -737.641 Base-Backbone interact. energy: -0.092 local terms energy: -830.551921 where: bonds (distance) C4'-P energy: -145.855 bonds (distance) P-C4' energy: -185.662 flat angles C4'-P-C4' energy: -175.453 flat angles P-C4'-P energy: -111.060 tors. eta vs tors. theta energy: -212.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2368.863419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.863419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.863419 (E_RNA) where: Base-Base interactions energy: -1549.083 where: short stacking energy: -733.022 Base-Backbone interact. energy: -1.561 local terms energy: -818.219380 where: bonds (distance) C4'-P energy: -164.291 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -171.820 flat angles P-C4'-P energy: -107.667 tors. eta vs tors. theta energy: -214.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1689.432571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.432571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.432571 (E_RNA) where: Base-Base interactions energy: -1037.310 where: short stacking energy: -441.236 Base-Backbone interact. energy: -0.614 local terms energy: -651.508470 where: bonds (distance) C4'-P energy: -174.217 bonds (distance) P-C4' energy: -158.254 flat angles C4'-P-C4' energy: -147.428 flat angles P-C4'-P energy: -96.594 tors. eta vs tors. theta energy: -75.015 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: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1205.623702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.623702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.623702 (E_RNA) where: Base-Base interactions energy: -653.519 where: short stacking energy: -318.073 Base-Backbone interact. energy: 6.615 local terms energy: -558.719635 where: bonds (distance) C4'-P energy: -150.086 bonds (distance) P-C4' energy: -153.056 flat angles C4'-P-C4' energy: -141.556 flat angles P-C4'-P energy: -85.537 tors. eta vs tors. theta energy: -28.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1024.897781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.897781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.897781 (E_RNA) where: Base-Base interactions energy: -500.239 where: short stacking energy: -288.294 Base-Backbone interact. energy: -0.998 local terms energy: -523.661035 where: bonds (distance) C4'-P energy: -169.861 bonds (distance) P-C4' energy: -138.324 flat angles C4'-P-C4' energy: -123.666 flat angles P-C4'-P energy: -75.747 tors. eta vs tors. theta energy: -16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -789.714369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.714369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.714369 (E_RNA) where: Base-Base interactions energy: -321.625 where: short stacking energy: -236.491 Base-Backbone interact. energy: 3.763 local terms energy: -471.852503 where: bonds (distance) C4'-P energy: -146.338 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -136.459 flat angles P-C4'-P energy: -64.341 tors. eta vs tors. theta energy: 22.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3095.570624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.570624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.570624 (E_RNA) where: Base-Base interactions energy: -2114.179 where: short stacking energy: -927.469 Base-Backbone interact. energy: -1.229 local terms energy: -980.163337 where: bonds (distance) C4'-P energy: -183.065 bonds (distance) P-C4' energy: -180.745 flat angles C4'-P-C4' energy: -211.704 flat angles P-C4'-P energy: -133.662 tors. eta vs tors. theta energy: -270.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2968.847845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.847845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.847845 (E_RNA) where: Base-Base interactions energy: -2057.281 where: short stacking energy: -859.465 Base-Backbone interact. energy: 2.644 local terms energy: -914.210904 where: bonds (distance) C4'-P energy: -170.507 bonds (distance) P-C4' energy: -169.667 flat angles C4'-P-C4' energy: -200.076 flat angles P-C4'-P energy: -128.495 tors. eta vs tors. theta energy: -245.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2811.125488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.125488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.125488 (E_RNA) where: Base-Base interactions energy: -1934.607 where: short stacking energy: -819.663 Base-Backbone interact. energy: -2.033 local terms energy: -874.485517 where: bonds (distance) C4'-P energy: -152.367 bonds (distance) P-C4' energy: -165.000 flat angles C4'-P-C4' energy: -204.555 flat angles P-C4'-P energy: -116.203 tors. eta vs tors. theta energy: -236.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2570.894965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.894965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.894965 (E_RNA) where: Base-Base interactions energy: -1742.087 where: short stacking energy: -751.891 Base-Backbone interact. energy: -4.376 local terms energy: -824.431057 where: bonds (distance) C4'-P energy: -159.453 bonds (distance) P-C4' energy: -167.918 flat angles C4'-P-C4' energy: -169.551 flat angles P-C4'-P energy: -118.152 tors. eta vs tors. theta energy: -209.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2409.411427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.411427 (E_RNA) where: Base-Base interactions energy: -1584.857 where: short stacking energy: -724.408 Base-Backbone interact. energy: -2.436 local terms energy: -822.118193 where: bonds (distance) C4'-P energy: -155.768 bonds (distance) P-C4' energy: -167.071 flat angles C4'-P-C4' energy: -185.892 flat angles P-C4'-P energy: -123.922 tors. eta vs tors. theta energy: -189.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2295.387729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.387729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.387729 (E_RNA) where: Base-Base interactions energy: -1492.266 where: short stacking energy: -693.071 Base-Backbone interact. energy: -3.836 local terms energy: -799.285468 where: bonds (distance) C4'-P energy: -170.685 bonds (distance) P-C4' energy: -165.496 flat angles C4'-P-C4' energy: -174.894 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -191.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1701.219609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.219609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.219609 (E_RNA) where: Base-Base interactions energy: -1048.044 where: short stacking energy: -463.584 Base-Backbone interact. energy: 0.434 local terms energy: -653.609889 where: bonds (distance) C4'-P energy: -146.767 bonds (distance) P-C4' energy: -184.120 flat angles C4'-P-C4' energy: -139.575 flat angles P-C4'-P energy: -101.917 tors. eta vs tors. theta energy: -81.230 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: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1222.994351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.994351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.994351 (E_RNA) where: Base-Base interactions energy: -666.334 where: short stacking energy: -349.319 Base-Backbone interact. energy: 1.449 local terms energy: -558.109596 where: bonds (distance) C4'-P energy: -153.190 bonds (distance) P-C4' energy: -173.067 flat angles C4'-P-C4' energy: -141.206 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -28.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -941.615042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.615042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.615042 (E_RNA) where: Base-Base interactions energy: -433.754 where: short stacking energy: -239.839 Base-Backbone interact. energy: -5.074 local terms energy: -502.786719 where: bonds (distance) C4'-P energy: -158.811 bonds (distance) P-C4' energy: -143.109 flat angles C4'-P-C4' energy: -116.039 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: 15.820 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: 338 Temperature: 1.350000 Total energy: -780.921594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.921594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.921594 (E_RNA) where: Base-Base interactions energy: -318.393 where: short stacking energy: -188.044 Base-Backbone interact. energy: 2.523 local terms energy: -465.051456 where: bonds (distance) C4'-P energy: -144.102 bonds (distance) P-C4' energy: -161.070 flat angles C4'-P-C4' energy: -127.309 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: 33.148 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: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3108.860020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.860020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.860020 (E_RNA) where: Base-Base interactions energy: -2129.232 where: short stacking energy: -932.013 Base-Backbone interact. energy: -0.918 local terms energy: -978.709655 where: bonds (distance) C4'-P energy: -165.845 bonds (distance) P-C4' energy: -169.573 flat angles C4'-P-C4' energy: -219.597 flat angles P-C4'-P energy: -142.984 tors. eta vs tors. theta energy: -280.710 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: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2949.064320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.064320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.064320 (E_RNA) where: Base-Base interactions energy: -2038.160 where: short stacking energy: -852.372 Base-Backbone interact. energy: -5.617 local terms energy: -905.287743 where: bonds (distance) C4'-P energy: -172.225 bonds (distance) P-C4' energy: -160.365 flat angles C4'-P-C4' energy: -194.029 flat angles P-C4'-P energy: -140.143 tors. eta vs tors. theta energy: -238.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2805.323265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.323265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.323265 (E_RNA) where: Base-Base interactions energy: -1938.082 where: short stacking energy: -840.374 Base-Backbone interact. energy: -0.598 local terms energy: -866.643200 where: bonds (distance) C4'-P energy: -157.625 bonds (distance) P-C4' energy: -178.782 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -125.385 tors. eta vs tors. theta energy: -225.912 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: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2613.152593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.152593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.152593 (E_RNA) where: Base-Base interactions energy: -1742.823 where: short stacking energy: -771.627 Base-Backbone interact. energy: -1.007 local terms energy: -869.322284 where: bonds (distance) C4'-P energy: -165.950 bonds (distance) P-C4' energy: -176.239 flat angles C4'-P-C4' energy: -176.561 flat angles P-C4'-P energy: -126.817 tors. eta vs tors. theta energy: -223.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2397.293095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.293095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.293095 (E_RNA) where: Base-Base interactions energy: -1583.791 where: short stacking energy: -709.529 Base-Backbone interact. energy: 3.744 local terms energy: -817.245958 where: bonds (distance) C4'-P energy: -165.407 bonds (distance) P-C4' energy: -167.474 flat angles C4'-P-C4' energy: -173.500 flat angles P-C4'-P energy: -114.631 tors. eta vs tors. theta energy: -196.234 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: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2279.647862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.647862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.647862 (E_RNA) where: Base-Base interactions energy: -1473.645 where: short stacking energy: -666.811 Base-Backbone interact. energy: -2.227 local terms energy: -803.776248 where: bonds (distance) C4'-P energy: -158.681 bonds (distance) P-C4' energy: -155.276 flat angles C4'-P-C4' energy: -182.507 flat angles P-C4'-P energy: -108.165 tors. eta vs tors. theta energy: -199.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1772.515766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.515766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.515766 (E_RNA) where: Base-Base interactions energy: -1093.588 where: short stacking energy: -511.419 Base-Backbone interact. energy: 0.222 local terms energy: -679.149763 where: bonds (distance) C4'-P energy: -166.381 bonds (distance) P-C4' energy: -139.806 flat angles C4'-P-C4' energy: -168.604 flat angles P-C4'-P energy: -94.017 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: 8, replica: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1211.914373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.914373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.914373 (E_RNA) where: Base-Base interactions energy: -639.530 where: short stacking energy: -317.733 Base-Backbone interact. energy: -0.121 local terms energy: -572.263924 where: bonds (distance) C4'-P energy: -162.105 bonds (distance) P-C4' energy: -150.758 flat angles C4'-P-C4' energy: -154.518 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: -24.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -914.982577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.982577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.982577 (E_RNA) where: Base-Base interactions energy: -408.683 where: short stacking energy: -253.676 Base-Backbone interact. energy: 4.278 local terms energy: -510.577239 where: bonds (distance) C4'-P energy: -127.528 bonds (distance) P-C4' energy: -171.648 flat angles C4'-P-C4' energy: -118.096 flat angles P-C4'-P energy: -81.791 tors. eta vs tors. theta energy: -11.514 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: 339 Temperature: 1.350000 Total energy: -772.261123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.261123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.261123 (E_RNA) where: Base-Base interactions energy: -319.650 where: short stacking energy: -212.073 Base-Backbone interact. energy: 3.609 local terms energy: -456.220190 where: bonds (distance) C4'-P energy: -125.218 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -113.920 flat angles P-C4'-P energy: -71.522 tors. eta vs tors. theta energy: 5.827 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: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3092.813032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.813032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.813032 (E_RNA) where: Base-Base interactions energy: -2108.138 where: short stacking energy: -926.029 Base-Backbone interact. energy: -4.770 local terms energy: -979.905612 where: bonds (distance) C4'-P energy: -175.462 bonds (distance) P-C4' energy: -186.092 flat angles C4'-P-C4' energy: -207.281 flat angles P-C4'-P energy: -144.327 tors. eta vs tors. theta energy: -266.743 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: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2906.989773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.989773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.989773 (E_RNA) where: Base-Base interactions energy: -2002.956 where: short stacking energy: -839.329 Base-Backbone interact. energy: -2.906 local terms energy: -901.127814 where: bonds (distance) C4'-P energy: -173.156 bonds (distance) P-C4' energy: -183.978 flat angles C4'-P-C4' energy: -186.238 flat angles P-C4'-P energy: -128.251 tors. eta vs tors. theta energy: -229.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2781.030377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.030377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.030377 (E_RNA) where: Base-Base interactions energy: -1877.026 where: short stacking energy: -810.027 Base-Backbone interact. energy: -1.530 local terms energy: -902.474344 where: bonds (distance) C4'-P energy: -180.023 bonds (distance) P-C4' energy: -178.715 flat angles C4'-P-C4' energy: -192.453 flat angles P-C4'-P energy: -121.619 tors. eta vs tors. theta energy: -229.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2578.211327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.211327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.211327 (E_RNA) where: Base-Base interactions energy: -1744.297 where: short stacking energy: -767.807 Base-Backbone interact. energy: 0.723 local terms energy: -834.637716 where: bonds (distance) C4'-P energy: -154.269 bonds (distance) P-C4' energy: -153.051 flat angles C4'-P-C4' energy: -191.298 flat angles P-C4'-P energy: -120.351 tors. eta vs tors. theta energy: -215.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2414.184294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.184294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.184294 (E_RNA) where: Base-Base interactions energy: -1597.502 where: short stacking energy: -708.234 Base-Backbone interact. energy: -2.191 local terms energy: -814.490813 where: bonds (distance) C4'-P energy: -178.998 bonds (distance) P-C4' energy: -163.221 flat angles C4'-P-C4' energy: -173.738 flat angles P-C4'-P energy: -109.846 tors. eta vs tors. theta energy: -188.688 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: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2311.635079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.635079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.635079 (E_RNA) where: Base-Base interactions energy: -1514.267 where: short stacking energy: -678.711 Base-Backbone interact. energy: -1.390 local terms energy: -795.977574 where: bonds (distance) C4'-P energy: -163.397 bonds (distance) P-C4' energy: -173.960 flat angles C4'-P-C4' energy: -181.290 flat angles P-C4'-P energy: -89.704 tors. eta vs tors. theta energy: -187.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1753.727812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.727812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.727812 (E_RNA) where: Base-Base interactions energy: -1093.116 where: short stacking energy: -484.994 Base-Backbone interact. energy: -1.391 local terms energy: -659.221113 where: bonds (distance) C4'-P energy: -160.759 bonds (distance) P-C4' energy: -157.432 flat angles C4'-P-C4' energy: -148.496 flat angles P-C4'-P energy: -98.614 tors. eta vs tors. theta energy: -93.920 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: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1224.256664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.256664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.256664 (E_RNA) where: Base-Base interactions energy: -669.225 where: short stacking energy: -353.814 Base-Backbone interact. energy: 2.407 local terms energy: -557.438583 where: bonds (distance) C4'-P energy: -135.814 bonds (distance) P-C4' energy: -162.783 flat angles C4'-P-C4' energy: -135.927 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -38.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -865.185020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.185020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.185020 (E_RNA) where: Base-Base interactions energy: -388.896 where: short stacking energy: -227.098 Base-Backbone interact. energy: -1.870 local terms energy: -474.419840 where: bonds (distance) C4'-P energy: -171.323 bonds (distance) P-C4' energy: -147.973 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -65.009 tors. eta vs tors. theta energy: 17.166 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: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -748.887898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.887898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.887898 (E_RNA) where: Base-Base interactions energy: -273.332 where: short stacking energy: -199.325 Base-Backbone interact. energy: 5.966 local terms energy: -481.521168 where: bonds (distance) C4'-P energy: -167.198 bonds (distance) P-C4' energy: -153.114 flat angles C4'-P-C4' energy: -116.900 flat angles P-C4'-P energy: -88.297 tors. eta vs tors. theta energy: 43.988 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: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3070.847689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.847689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.847689 (E_RNA) where: Base-Base interactions energy: -2076.910 where: short stacking energy: -889.434 Base-Backbone interact. energy: -0.284 local terms energy: -993.653850 where: bonds (distance) C4'-P energy: -193.294 bonds (distance) P-C4' energy: -179.806 flat angles C4'-P-C4' energy: -210.625 flat angles P-C4'-P energy: -142.915 tors. eta vs tors. theta energy: -267.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2950.984026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.984026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.984026 (E_RNA) where: Base-Base interactions energy: -2010.402 where: short stacking energy: -862.146 Base-Backbone interact. energy: -4.713 local terms energy: -935.868753 where: bonds (distance) C4'-P energy: -162.614 bonds (distance) P-C4' energy: -183.608 flat angles C4'-P-C4' energy: -202.885 flat angles P-C4'-P energy: -142.959 tors. eta vs tors. theta energy: -243.803 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: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2830.157529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.157529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.157529 (E_RNA) where: Base-Base interactions energy: -1902.098 where: short stacking energy: -831.172 Base-Backbone interact. energy: -2.992 local terms energy: -925.067476 where: bonds (distance) C4'-P energy: -186.435 bonds (distance) P-C4' energy: -173.669 flat angles C4'-P-C4' energy: -204.788 flat angles P-C4'-P energy: -124.730 tors. eta vs tors. theta energy: -235.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2586.828641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.828641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.828641 (E_RNA) where: Base-Base interactions energy: -1731.632 where: short stacking energy: -743.609 Base-Backbone interact. energy: -4.155 local terms energy: -851.041767 where: bonds (distance) C4'-P energy: -160.310 bonds (distance) P-C4' energy: -175.681 flat angles C4'-P-C4' energy: -177.951 flat angles P-C4'-P energy: -128.352 tors. eta vs tors. theta energy: -208.748 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: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2437.550352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.550352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.550352 (E_RNA) where: Base-Base interactions energy: -1612.129 where: short stacking energy: -753.064 Base-Backbone interact. energy: 4.639 local terms energy: -830.060539 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -173.092 flat angles C4'-P-C4' energy: -190.653 flat angles P-C4'-P energy: -109.217 tors. eta vs tors. theta energy: -203.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2286.259878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.259878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.259878 (E_RNA) where: Base-Base interactions energy: -1485.827 where: short stacking energy: -671.962 Base-Backbone interact. energy: -2.463 local terms energy: -797.969807 where: bonds (distance) C4'-P energy: -160.020 bonds (distance) P-C4' energy: -171.382 flat angles C4'-P-C4' energy: -152.960 flat angles P-C4'-P energy: -128.184 tors. eta vs tors. theta energy: -185.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1782.161647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.161647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.161647 (E_RNA) where: Base-Base interactions energy: -1089.935 where: short stacking energy: -487.957 Base-Backbone interact. energy: 0.907 local terms energy: -693.134274 where: bonds (distance) C4'-P energy: -158.012 bonds (distance) P-C4' energy: -159.791 flat angles C4'-P-C4' energy: -152.281 flat angles P-C4'-P energy: -115.872 tors. eta vs tors. theta energy: -107.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1217.990216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.990216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.990216 (E_RNA) where: Base-Base interactions energy: -650.319 where: short stacking energy: -323.695 Base-Backbone interact. energy: 6.823 local terms energy: -574.493560 where: bonds (distance) C4'-P energy: -137.863 bonds (distance) P-C4' energy: -159.796 flat angles C4'-P-C4' energy: -159.158 flat angles P-C4'-P energy: -87.728 tors. eta vs tors. theta energy: -29.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -857.938185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.938185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.938185 (E_RNA) where: Base-Base interactions energy: -374.813 where: short stacking energy: -227.356 Base-Backbone interact. energy: -0.521 local terms energy: -482.604906 where: bonds (distance) C4'-P energy: -147.363 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: 20.187 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: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -754.497993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.497993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.497993 (E_RNA) where: Base-Base interactions energy: -284.353 where: short stacking energy: -178.283 Base-Backbone interact. energy: -1.812 local terms energy: -468.333121 where: bonds (distance) C4'-P energy: -160.934 bonds (distance) P-C4' energy: -170.772 flat angles C4'-P-C4' energy: -113.350 flat angles P-C4'-P energy: -70.846 tors. eta vs tors. theta energy: 47.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3118.779123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.779123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.779123 (E_RNA) where: Base-Base interactions energy: -2158.655 where: short stacking energy: -921.614 Base-Backbone interact. energy: -2.429 local terms energy: -957.694860 where: bonds (distance) C4'-P energy: -182.249 bonds (distance) P-C4' energy: -180.634 flat angles C4'-P-C4' energy: -199.219 flat angles P-C4'-P energy: -121.219 tors. eta vs tors. theta energy: -274.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2983.105374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.105374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.105374 (E_RNA) where: Base-Base interactions energy: -2041.122 where: short stacking energy: -839.716 Base-Backbone interact. energy: -4.644 local terms energy: -937.339279 where: bonds (distance) C4'-P energy: -175.053 bonds (distance) P-C4' energy: -177.041 flat angles C4'-P-C4' energy: -198.064 flat angles P-C4'-P energy: -148.815 tors. eta vs tors. theta energy: -238.366 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: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2836.389291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.389291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.389291 (E_RNA) where: Base-Base interactions energy: -1927.948 where: short stacking energy: -845.849 Base-Backbone interact. energy: 3.347 local terms energy: -911.787807 where: bonds (distance) C4'-P energy: -180.221 bonds (distance) P-C4' energy: -164.123 flat angles C4'-P-C4' energy: -194.870 flat angles P-C4'-P energy: -133.508 tors. eta vs tors. theta energy: -239.066 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2615.296829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.296829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.296829 (E_RNA) where: Base-Base interactions energy: -1770.618 where: short stacking energy: -765.065 Base-Backbone interact. energy: 0.302 local terms energy: -844.981406 where: bonds (distance) C4'-P energy: -153.031 bonds (distance) P-C4' energy: -164.047 flat angles C4'-P-C4' energy: -185.439 flat angles P-C4'-P energy: -118.486 tors. eta vs tors. theta energy: -223.978 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: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2429.694773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.694773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.694773 (E_RNA) where: Base-Base interactions energy: -1646.660 where: short stacking energy: -747.649 Base-Backbone interact. energy: 0.494 local terms energy: -783.529003 where: bonds (distance) C4'-P energy: -150.400 bonds (distance) P-C4' energy: -158.262 flat angles C4'-P-C4' energy: -171.496 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -195.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2294.935106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.935106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.935106 (E_RNA) where: Base-Base interactions energy: -1520.414 where: short stacking energy: -718.157 Base-Backbone interact. energy: -0.575 local terms energy: -773.946394 where: bonds (distance) C4'-P energy: -138.314 bonds (distance) P-C4' energy: -134.562 flat angles C4'-P-C4' energy: -171.632 flat angles P-C4'-P energy: -119.262 tors. eta vs tors. theta energy: -210.176 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: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1782.221449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.221449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.221449 (E_RNA) where: Base-Base interactions energy: -1082.561 where: short stacking energy: -479.709 Base-Backbone interact. energy: -4.378 local terms energy: -695.282136 where: bonds (distance) C4'-P energy: -159.783 bonds (distance) P-C4' energy: -151.153 flat angles C4'-P-C4' energy: -169.780 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -112.591 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: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1272.894954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.894954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.894954 (E_RNA) where: Base-Base interactions energy: -675.950 where: short stacking energy: -359.804 Base-Backbone interact. energy: -3.039 local terms energy: -593.905564 where: bonds (distance) C4'-P energy: -142.675 bonds (distance) P-C4' energy: -158.102 flat angles C4'-P-C4' energy: -142.899 flat angles P-C4'-P energy: -101.809 tors. eta vs tors. theta energy: -48.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -790.771663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.771663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.771663 (E_RNA) where: Base-Base interactions energy: -312.883 where: short stacking energy: -220.330 Base-Backbone interact. energy: 5.756 local terms energy: -483.644114 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -151.897 flat angles C4'-P-C4' energy: -147.082 flat angles P-C4'-P energy: -92.454 tors. eta vs tors. theta energy: 20.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -786.071133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.071133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.071133 (E_RNA) where: Base-Base interactions energy: -328.348 where: short stacking energy: -191.396 Base-Backbone interact. energy: 2.409 local terms energy: -460.132191 where: bonds (distance) C4'-P energy: -152.788 bonds (distance) P-C4' energy: -154.020 flat angles C4'-P-C4' energy: -115.436 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: 36.342 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: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3083.228030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.228030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.228030 (E_RNA) where: Base-Base interactions energy: -2115.704 where: short stacking energy: -924.108 Base-Backbone interact. energy: -1.322 local terms energy: -966.201719 where: bonds (distance) C4'-P energy: -170.565 bonds (distance) P-C4' energy: -191.953 flat angles C4'-P-C4' energy: -201.434 flat angles P-C4'-P energy: -129.384 tors. eta vs tors. theta energy: -272.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2996.982918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.982918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.982918 (E_RNA) where: Base-Base interactions energy: -2054.647 where: short stacking energy: -855.939 Base-Backbone interact. energy: -3.132 local terms energy: -939.204177 where: bonds (distance) C4'-P energy: -182.774 bonds (distance) P-C4' energy: -178.108 flat angles C4'-P-C4' energy: -210.482 flat angles P-C4'-P energy: -129.389 tors. eta vs tors. theta energy: -238.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2785.140536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.140536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.140536 (E_RNA) where: Base-Base interactions energy: -1913.581 where: short stacking energy: -833.084 Base-Backbone interact. energy: -3.730 local terms energy: -867.829137 where: bonds (distance) C4'-P energy: -158.426 bonds (distance) P-C4' energy: -172.562 flat angles C4'-P-C4' energy: -187.007 flat angles P-C4'-P energy: -108.149 tors. eta vs tors. theta energy: -241.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2591.014202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.014202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.014202 (E_RNA) where: Base-Base interactions energy: -1755.549 where: short stacking energy: -767.949 Base-Backbone interact. energy: -2.778 local terms energy: -832.687347 where: bonds (distance) C4'-P energy: -163.829 bonds (distance) P-C4' energy: -169.805 flat angles C4'-P-C4' energy: -170.886 flat angles P-C4'-P energy: -93.689 tors. eta vs tors. theta energy: -234.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2475.809024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.809024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.809024 (E_RNA) where: Base-Base interactions energy: -1652.323 where: short stacking energy: -772.750 Base-Backbone interact. energy: 0.173 local terms energy: -823.658897 where: bonds (distance) C4'-P energy: -155.823 bonds (distance) P-C4' energy: -147.782 flat angles C4'-P-C4' energy: -179.797 flat angles P-C4'-P energy: -126.750 tors. eta vs tors. theta energy: -213.506 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: 343 Temperature: 1.150000 Total energy: -2300.268983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.268983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.268983 (E_RNA) where: Base-Base interactions energy: -1525.764 where: short stacking energy: -706.366 Base-Backbone interact. energy: 1.516 local terms energy: -776.021697 where: bonds (distance) C4'-P energy: -163.256 bonds (distance) P-C4' energy: -154.511 flat angles C4'-P-C4' energy: -166.533 flat angles P-C4'-P energy: -104.735 tors. eta vs tors. theta energy: -186.987 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: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1793.561466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.561466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.561466 (E_RNA) where: Base-Base interactions energy: -1112.484 where: short stacking energy: -490.110 Base-Backbone interact. energy: -1.402 local terms energy: -679.675368 where: bonds (distance) C4'-P energy: -177.618 bonds (distance) P-C4' energy: -157.239 flat angles C4'-P-C4' energy: -159.210 flat angles P-C4'-P energy: -99.722 tors. eta vs tors. theta energy: -85.886 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: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1265.557050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.557050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.557050 (E_RNA) where: Base-Base interactions energy: -745.816 where: short stacking energy: -378.229 Base-Backbone interact. energy: 3.073 local terms energy: -522.813759 where: bonds (distance) C4'-P energy: -119.117 bonds (distance) P-C4' energy: -183.266 flat angles C4'-P-C4' energy: -119.357 flat angles P-C4'-P energy: -66.446 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: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -844.176383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.176383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.176383 (E_RNA) where: Base-Base interactions energy: -383.639 where: short stacking energy: -231.391 Base-Backbone interact. energy: -0.905 local terms energy: -459.632072 where: bonds (distance) C4'-P energy: -138.005 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -117.163 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: 13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -744.520747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.520747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.520747 (E_RNA) where: Base-Base interactions energy: -316.642 where: short stacking energy: -206.440 Base-Backbone interact. energy: 0.482 local terms energy: -428.360775 where: bonds (distance) C4'-P energy: -129.288 bonds (distance) P-C4' energy: -145.781 flat angles C4'-P-C4' energy: -111.956 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: 33.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3099.160353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.160353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.160353 (E_RNA) where: Base-Base interactions energy: -2111.570 where: short stacking energy: -875.754 Base-Backbone interact. energy: -7.006 local terms energy: -980.584392 where: bonds (distance) C4'-P energy: -182.590 bonds (distance) P-C4' energy: -181.991 flat angles C4'-P-C4' energy: -204.142 flat angles P-C4'-P energy: -143.630 tors. eta vs tors. theta energy: -268.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2984.270969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.270969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.270969 (E_RNA) where: Base-Base interactions energy: -2053.878 where: short stacking energy: -873.762 Base-Backbone interact. energy: -1.357 local terms energy: -929.036045 where: bonds (distance) C4'-P energy: -181.693 bonds (distance) P-C4' energy: -169.713 flat angles C4'-P-C4' energy: -213.679 flat angles P-C4'-P energy: -117.970 tors. eta vs tors. theta energy: -245.981 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: 344 Temperature: 1.000000 Total energy: -2767.144978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.144978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.144978 (E_RNA) where: Base-Base interactions energy: -1858.284 where: short stacking energy: -812.742 Base-Backbone interact. energy: 8.585 local terms energy: -917.445581 where: bonds (distance) C4'-P energy: -172.047 bonds (distance) P-C4' energy: -182.461 flat angles C4'-P-C4' energy: -197.187 flat angles P-C4'-P energy: -128.636 tors. eta vs tors. theta energy: -237.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2581.304602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.304602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.304602 (E_RNA) where: Base-Base interactions energy: -1724.490 where: short stacking energy: -759.775 Base-Backbone interact. energy: -5.329 local terms energy: -851.486215 where: bonds (distance) C4'-P energy: -164.003 bonds (distance) P-C4' energy: -171.598 flat angles C4'-P-C4' energy: -188.229 flat angles P-C4'-P energy: -96.419 tors. eta vs tors. theta energy: -231.238 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: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2449.177905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.177905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.177905 (E_RNA) where: Base-Base interactions energy: -1581.758 where: short stacking energy: -744.515 Base-Backbone interact. energy: -0.706 local terms energy: -866.713401 where: bonds (distance) C4'-P energy: -175.185 bonds (distance) P-C4' energy: -166.793 flat angles C4'-P-C4' energy: -180.476 flat angles P-C4'-P energy: -116.477 tors. eta vs tors. theta energy: -227.783 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: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2358.356001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.356001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.356001 (E_RNA) where: Base-Base interactions energy: -1550.812 where: short stacking energy: -707.371 Base-Backbone interact. energy: -0.129 local terms energy: -807.415032 where: bonds (distance) C4'-P energy: -132.860 bonds (distance) P-C4' energy: -176.375 flat angles C4'-P-C4' energy: -178.966 flat angles P-C4'-P energy: -118.935 tors. eta vs tors. theta energy: -200.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1803.106561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.106561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.106561 (E_RNA) where: Base-Base interactions energy: -1126.507 where: short stacking energy: -520.721 Base-Backbone interact. energy: -5.121 local terms energy: -671.478155 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -148.530 flat angles C4'-P-C4' energy: -137.954 flat angles P-C4'-P energy: -104.895 tors. eta vs tors. theta energy: -125.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1268.117581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.117581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.117581 (E_RNA) where: Base-Base interactions energy: -708.527 where: short stacking energy: -331.321 Base-Backbone interact. energy: 3.247 local terms energy: -562.837766 where: bonds (distance) C4'-P energy: -145.016 bonds (distance) P-C4' energy: -164.961 flat angles C4'-P-C4' energy: -136.129 flat angles P-C4'-P energy: -91.429 tors. eta vs tors. theta energy: -25.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -847.805809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.805809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.805809 (E_RNA) where: Base-Base interactions energy: -362.716 where: short stacking energy: -245.756 Base-Backbone interact. energy: -0.646 local terms energy: -484.444378 where: bonds (distance) C4'-P energy: -158.479 bonds (distance) P-C4' energy: -145.805 flat angles C4'-P-C4' energy: -129.761 flat angles P-C4'-P energy: -59.299 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: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -721.206047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.206047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.206047 (E_RNA) where: Base-Base interactions energy: -270.913 where: short stacking energy: -208.712 Base-Backbone interact. energy: 3.691 local terms energy: -453.984032 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -113.692 flat angles P-C4'-P energy: -82.691 tors. eta vs tors. theta energy: 29.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3093.942016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.942016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.942016 (E_RNA) where: Base-Base interactions energy: -2092.177 where: short stacking energy: -879.128 Base-Backbone interact. energy: -4.550 local terms energy: -997.214776 where: bonds (distance) C4'-P energy: -203.413 bonds (distance) P-C4' energy: -184.642 flat angles C4'-P-C4' energy: -217.157 flat angles P-C4'-P energy: -118.506 tors. eta vs tors. theta energy: -273.497 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: 345 Temperature: 0.950000 Total energy: -2999.086602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.086602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.086602 (E_RNA) where: Base-Base interactions energy: -2091.056 where: short stacking energy: -887.093 Base-Backbone interact. energy: -3.103 local terms energy: -904.927135 where: bonds (distance) C4'-P energy: -174.761 bonds (distance) P-C4' energy: -170.181 flat angles C4'-P-C4' energy: -191.582 flat angles P-C4'-P energy: -124.792 tors. eta vs tors. theta energy: -243.610 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: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2810.090678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.090678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.090678 (E_RNA) where: Base-Base interactions energy: -1904.388 where: short stacking energy: -819.657 Base-Backbone interact. energy: -4.638 local terms energy: -901.065448 where: bonds (distance) C4'-P energy: -170.960 bonds (distance) P-C4' energy: -180.072 flat angles C4'-P-C4' energy: -185.604 flat angles P-C4'-P energy: -123.411 tors. eta vs tors. theta energy: -241.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2590.427435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.427435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.427435 (E_RNA) where: Base-Base interactions energy: -1739.088 where: short stacking energy: -773.749 Base-Backbone interact. energy: -0.801 local terms energy: -850.538411 where: bonds (distance) C4'-P energy: -168.109 bonds (distance) P-C4' energy: -169.964 flat angles C4'-P-C4' energy: -180.699 flat angles P-C4'-P energy: -105.324 tors. eta vs tors. theta energy: -226.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2406.790308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.790308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.790308 (E_RNA) where: Base-Base interactions energy: -1546.651 where: short stacking energy: -709.199 Base-Backbone interact. energy: -4.107 local terms energy: -856.032956 where: bonds (distance) C4'-P energy: -154.877 bonds (distance) P-C4' energy: -176.309 flat angles C4'-P-C4' energy: -190.268 flat angles P-C4'-P energy: -135.560 tors. eta vs tors. theta energy: -199.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2342.298357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.298357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.298357 (E_RNA) where: Base-Base interactions energy: -1531.214 where: short stacking energy: -676.276 Base-Backbone interact. energy: -1.504 local terms energy: -809.580069 where: bonds (distance) C4'-P energy: -154.910 bonds (distance) P-C4' energy: -166.940 flat angles C4'-P-C4' energy: -175.967 flat angles P-C4'-P energy: -114.831 tors. eta vs tors. theta energy: -196.933 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: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1820.075889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.075889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.075889 (E_RNA) where: Base-Base interactions energy: -1186.810 where: short stacking energy: -536.645 Base-Backbone interact. energy: -5.928 local terms energy: -627.338126 where: bonds (distance) C4'-P energy: -147.074 bonds (distance) P-C4' energy: -137.737 flat angles C4'-P-C4' energy: -146.664 flat angles P-C4'-P energy: -103.606 tors. eta vs tors. theta energy: -92.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1379.659647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.659647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.659647 (E_RNA) where: Base-Base interactions energy: -758.450 where: short stacking energy: -426.529 Base-Backbone interact. energy: 2.933 local terms energy: -624.142833 where: bonds (distance) C4'-P energy: -162.596 bonds (distance) P-C4' energy: -149.860 flat angles C4'-P-C4' energy: -157.843 flat angles P-C4'-P energy: -87.391 tors. eta vs tors. theta energy: -66.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -843.087676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.087676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.087676 (E_RNA) where: Base-Base interactions energy: -362.763 where: short stacking energy: -271.973 Base-Backbone interact. energy: -0.672 local terms energy: -479.652733 where: bonds (distance) C4'-P energy: -142.937 bonds (distance) P-C4' energy: -138.158 flat angles C4'-P-C4' energy: -143.611 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: 6.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -730.580462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.580462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.580462 (E_RNA) where: Base-Base interactions energy: -269.697 where: short stacking energy: -198.126 Base-Backbone interact. energy: 0.732 local terms energy: -461.615161 where: bonds (distance) C4'-P energy: -138.177 bonds (distance) P-C4' energy: -153.489 flat angles C4'-P-C4' energy: -115.334 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: 37.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3102.984021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.984021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.984021 (E_RNA) where: Base-Base interactions energy: -2128.708 where: short stacking energy: -911.659 Base-Backbone interact. energy: 0.458 local terms energy: -974.733945 where: bonds (distance) C4'-P energy: -175.767 bonds (distance) P-C4' energy: -174.693 flat angles C4'-P-C4' energy: -212.950 flat angles P-C4'-P energy: -153.843 tors. eta vs tors. theta energy: -257.482 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: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2970.794848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.794848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.794848 (E_RNA) where: Base-Base interactions energy: -2042.537 where: short stacking energy: -826.073 Base-Backbone interact. energy: -4.125 local terms energy: -924.133095 where: bonds (distance) C4'-P energy: -148.071 bonds (distance) P-C4' energy: -192.514 flat angles C4'-P-C4' energy: -205.597 flat angles P-C4'-P energy: -136.371 tors. eta vs tors. theta energy: -241.579 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: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2822.086249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.086249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.086249 (E_RNA) where: Base-Base interactions energy: -1914.490 where: short stacking energy: -837.094 Base-Backbone interact. energy: 0.149 local terms energy: -907.746070 where: bonds (distance) C4'-P energy: -178.044 bonds (distance) P-C4' energy: -164.280 flat angles C4'-P-C4' energy: -207.256 flat angles P-C4'-P energy: -121.142 tors. eta vs tors. theta energy: -237.025 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: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2580.697281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.697281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.697281 (E_RNA) where: Base-Base interactions energy: -1697.483 where: short stacking energy: -791.981 Base-Backbone interact. energy: -5.496 local terms energy: -877.718203 where: bonds (distance) C4'-P energy: -181.142 bonds (distance) P-C4' energy: -155.326 flat angles C4'-P-C4' energy: -197.921 flat angles P-C4'-P energy: -123.253 tors. eta vs tors. theta energy: -220.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2415.247369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.247369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.247369 (E_RNA) where: Base-Base interactions energy: -1632.638 where: short stacking energy: -713.696 Base-Backbone interact. energy: 9.520 local terms energy: -792.129334 where: bonds (distance) C4'-P energy: -139.841 bonds (distance) P-C4' energy: -175.075 flat angles C4'-P-C4' energy: -183.038 flat angles P-C4'-P energy: -110.308 tors. eta vs tors. theta energy: -183.867 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: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2263.288759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.288759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.288759 (E_RNA) where: Base-Base interactions energy: -1487.115 where: short stacking energy: -687.032 Base-Backbone interact. energy: 9.849 local terms energy: -786.023082 where: bonds (distance) C4'-P energy: -154.573 bonds (distance) P-C4' energy: -152.583 flat angles C4'-P-C4' energy: -181.361 flat angles P-C4'-P energy: -112.865 tors. eta vs tors. theta energy: -184.641 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: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1889.888452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.888452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.888452 (E_RNA) where: Base-Base interactions energy: -1192.063 where: short stacking energy: -534.957 Base-Backbone interact. energy: -4.044 local terms energy: -693.781510 where: bonds (distance) C4'-P energy: -167.670 bonds (distance) P-C4' energy: -140.105 flat angles C4'-P-C4' energy: -159.477 flat angles P-C4'-P energy: -109.132 tors. eta vs tors. theta energy: -117.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1241.810248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.810248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.810248 (E_RNA) where: Base-Base interactions energy: -636.385 where: short stacking energy: -336.856 Base-Backbone interact. energy: 7.254 local terms energy: -612.679649 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -171.328 flat angles C4'-P-C4' energy: -184.461 flat angles P-C4'-P energy: -92.821 tors. eta vs tors. theta energy: -19.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -889.557337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.557337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.557337 (E_RNA) where: Base-Base interactions energy: -416.920 where: short stacking energy: -268.300 Base-Backbone interact. energy: -2.557 local terms energy: -470.080514 where: bonds (distance) C4'-P energy: -144.847 bonds (distance) P-C4' energy: -138.653 flat angles C4'-P-C4' energy: -135.612 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: 11.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -747.683352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.683352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.683352 (E_RNA) where: Base-Base interactions energy: -258.843 where: short stacking energy: -189.404 Base-Backbone interact. energy: -1.917 local terms energy: -486.923457 where: bonds (distance) C4'-P energy: -133.422 bonds (distance) P-C4' energy: -173.974 flat angles C4'-P-C4' energy: -147.312 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: 37.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3092.907579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.907579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.907579 (E_RNA) where: Base-Base interactions energy: -2118.398 where: short stacking energy: -926.710 Base-Backbone interact. energy: -3.705 local terms energy: -970.804175 where: bonds (distance) C4'-P energy: -180.027 bonds (distance) P-C4' energy: -170.135 flat angles C4'-P-C4' energy: -211.254 flat angles P-C4'-P energy: -144.085 tors. eta vs tors. theta energy: -265.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2996.946698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.946698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.946698 (E_RNA) where: Base-Base interactions energy: -2057.117 where: short stacking energy: -861.538 Base-Backbone interact. energy: -6.195 local terms energy: -933.634189 where: bonds (distance) C4'-P energy: -166.824 bonds (distance) P-C4' energy: -177.438 flat angles C4'-P-C4' energy: -194.064 flat angles P-C4'-P energy: -151.095 tors. eta vs tors. theta energy: -244.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2790.424393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.424393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.424393 (E_RNA) where: Base-Base interactions energy: -1902.356 where: short stacking energy: -830.736 Base-Backbone interact. energy: 2.625 local terms energy: -890.693390 where: bonds (distance) C4'-P energy: -157.921 bonds (distance) P-C4' energy: -186.344 flat angles C4'-P-C4' energy: -191.062 flat angles P-C4'-P energy: -119.397 tors. eta vs tors. theta energy: -235.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2608.813587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.813587 (E_RNA) where: Base-Base interactions energy: -1733.908 where: short stacking energy: -742.080 Base-Backbone interact. energy: -0.429 local terms energy: -874.476653 where: bonds (distance) C4'-P energy: -148.758 bonds (distance) P-C4' energy: -189.779 flat angles C4'-P-C4' energy: -191.539 flat angles P-C4'-P energy: -121.879 tors. eta vs tors. theta energy: -222.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2431.963236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.963236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.963236 (E_RNA) where: Base-Base interactions energy: -1601.353 where: short stacking energy: -722.905 Base-Backbone interact. energy: -1.057 local terms energy: -829.553445 where: bonds (distance) C4'-P energy: -160.797 bonds (distance) P-C4' energy: -147.209 flat angles C4'-P-C4' energy: -195.999 flat angles P-C4'-P energy: -125.952 tors. eta vs tors. theta energy: -199.598 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: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2282.719545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.719545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.719545 (E_RNA) where: Base-Base interactions energy: -1513.394 where: short stacking energy: -704.083 Base-Backbone interact. energy: -3.043 local terms energy: -766.281707 where: bonds (distance) C4'-P energy: -149.682 bonds (distance) P-C4' energy: -126.878 flat angles C4'-P-C4' energy: -197.612 flat angles P-C4'-P energy: -101.678 tors. eta vs tors. theta energy: -190.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1882.262811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.262811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.262811 (E_RNA) where: Base-Base interactions energy: -1162.180 where: short stacking energy: -506.055 Base-Backbone interact. energy: -5.218 local terms energy: -714.864891 where: bonds (distance) C4'-P energy: -154.106 bonds (distance) P-C4' energy: -167.037 flat angles C4'-P-C4' energy: -170.811 flat angles P-C4'-P energy: -103.694 tors. eta vs tors. theta energy: -119.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1207.007628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.007628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.007628 (E_RNA) where: Base-Base interactions energy: -649.596 where: short stacking energy: -343.939 Base-Backbone interact. energy: -2.860 local terms energy: -554.551770 where: bonds (distance) C4'-P energy: -141.465 bonds (distance) P-C4' energy: -167.671 flat angles C4'-P-C4' energy: -128.003 flat angles P-C4'-P energy: -86.088 tors. eta vs tors. theta energy: -31.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -916.431874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.431874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.431874 (E_RNA) where: Base-Base interactions energy: -421.235 where: short stacking energy: -277.577 Base-Backbone interact. energy: -6.423 local terms energy: -488.774127 where: bonds (distance) C4'-P energy: -124.823 bonds (distance) P-C4' energy: -148.028 flat angles C4'-P-C4' energy: -122.742 flat angles P-C4'-P energy: -83.743 tors. eta vs tors. theta energy: -9.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -711.100787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.100787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.100787 (E_RNA) where: Base-Base interactions energy: -265.930 where: short stacking energy: -154.397 Base-Backbone interact. energy: 3.385 local terms energy: -448.555951 where: bonds (distance) C4'-P energy: -140.047 bonds (distance) P-C4' energy: -159.076 flat angles C4'-P-C4' energy: -103.578 flat angles P-C4'-P energy: -80.313 tors. eta vs tors. theta energy: 34.458 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: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3105.776689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.776689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.776689 (E_RNA) where: Base-Base interactions energy: -2106.363 where: short stacking energy: -891.407 Base-Backbone interact. energy: -1.708 local terms energy: -997.704945 where: bonds (distance) C4'-P energy: -180.086 bonds (distance) P-C4' energy: -185.274 flat angles C4'-P-C4' energy: -210.173 flat angles P-C4'-P energy: -149.918 tors. eta vs tors. theta energy: -272.254 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: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -3005.574346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.574346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.574346 (E_RNA) where: Base-Base interactions energy: -2073.908 where: short stacking energy: -872.747 Base-Backbone interact. energy: -2.512 local terms energy: -929.155007 where: bonds (distance) C4'-P energy: -157.874 bonds (distance) P-C4' energy: -182.565 flat angles C4'-P-C4' energy: -216.313 flat angles P-C4'-P energy: -125.581 tors. eta vs tors. theta energy: -246.821 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2816.097824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.097824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.097824 (E_RNA) where: Base-Base interactions energy: -1915.346 where: short stacking energy: -842.673 Base-Backbone interact. energy: -0.504 local terms energy: -900.248529 where: bonds (distance) C4'-P energy: -158.344 bonds (distance) P-C4' energy: -172.320 flat angles C4'-P-C4' energy: -199.775 flat angles P-C4'-P energy: -129.690 tors. eta vs tors. theta energy: -240.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2592.682303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.682303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.682303 (E_RNA) where: Base-Base interactions energy: -1703.521 where: short stacking energy: -763.901 Base-Backbone interact. energy: -0.689 local terms energy: -888.471806 where: bonds (distance) C4'-P energy: -190.760 bonds (distance) P-C4' energy: -163.750 flat angles C4'-P-C4' energy: -195.102 flat angles P-C4'-P energy: -117.380 tors. eta vs tors. theta energy: -221.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2362.521714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.521714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.521714 (E_RNA) where: Base-Base interactions energy: -1570.622 where: short stacking energy: -700.536 Base-Backbone interact. energy: 3.996 local terms energy: -795.896157 where: bonds (distance) C4'-P energy: -169.880 bonds (distance) P-C4' energy: -151.616 flat angles C4'-P-C4' energy: -183.792 flat angles P-C4'-P energy: -102.762 tors. eta vs tors. theta energy: -187.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2320.722371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.722371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.722371 (E_RNA) where: Base-Base interactions energy: -1557.952 where: short stacking energy: -686.031 Base-Backbone interact. energy: 0.352 local terms energy: -763.122339 where: bonds (distance) C4'-P energy: -149.589 bonds (distance) P-C4' energy: -157.762 flat angles C4'-P-C4' energy: -172.982 flat angles P-C4'-P energy: -99.344 tors. eta vs tors. theta energy: -183.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1883.408842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.408842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.408842 (E_RNA) where: Base-Base interactions energy: -1211.421 where: short stacking energy: -566.698 Base-Backbone interact. energy: -3.409 local terms energy: -668.578571 where: bonds (distance) C4'-P energy: -150.538 bonds (distance) P-C4' energy: -155.542 flat angles C4'-P-C4' energy: -145.515 flat angles P-C4'-P energy: -89.289 tors. eta vs tors. theta energy: -127.694 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: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1155.811901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.811901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.811901 (E_RNA) where: Base-Base interactions energy: -621.319 where: short stacking energy: -319.577 Base-Backbone interact. energy: -1.016 local terms energy: -533.477476 where: bonds (distance) C4'-P energy: -136.959 bonds (distance) P-C4' energy: -149.986 flat angles C4'-P-C4' energy: -136.795 flat angles P-C4'-P energy: -82.595 tors. eta vs tors. theta energy: -27.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -908.231790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.231790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.231790 (E_RNA) where: Base-Base interactions energy: -395.261 where: short stacking energy: -233.266 Base-Backbone interact. energy: -0.530 local terms energy: -512.440486 where: bonds (distance) C4'-P energy: -147.437 bonds (distance) P-C4' energy: -159.799 flat angles C4'-P-C4' energy: -138.765 flat angles P-C4'-P energy: -81.871 tors. eta vs tors. theta energy: 15.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -731.033599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.033599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.033599 (E_RNA) where: Base-Base interactions energy: -281.516 where: short stacking energy: -198.209 Base-Backbone interact. energy: 2.043 local terms energy: -451.561056 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -158.918 flat angles C4'-P-C4' energy: -127.267 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: 26.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3108.215318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.215318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.215318 (E_RNA) where: Base-Base interactions energy: -2145.234 where: short stacking energy: -901.690 Base-Backbone interact. energy: -4.180 local terms energy: -958.801293 where: bonds (distance) C4'-P energy: -171.074 bonds (distance) P-C4' energy: -184.804 flat angles C4'-P-C4' energy: -205.421 flat angles P-C4'-P energy: -139.263 tors. eta vs tors. theta energy: -258.240 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: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3017.398908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.398908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.398908 (E_RNA) where: Base-Base interactions energy: -2049.126 where: short stacking energy: -846.889 Base-Backbone interact. energy: -2.682 local terms energy: -965.591019 where: bonds (distance) C4'-P energy: -189.195 bonds (distance) P-C4' energy: -177.763 flat angles C4'-P-C4' energy: -208.789 flat angles P-C4'-P energy: -137.927 tors. eta vs tors. theta energy: -251.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2793.121604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.121604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.121604 (E_RNA) where: Base-Base interactions energy: -1880.682 where: short stacking energy: -835.349 Base-Backbone interact. energy: -5.192 local terms energy: -907.246968 where: bonds (distance) C4'-P energy: -169.245 bonds (distance) P-C4' energy: -177.755 flat angles C4'-P-C4' energy: -190.108 flat angles P-C4'-P energy: -138.861 tors. eta vs tors. theta energy: -231.277 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: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2556.362016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.362016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.362016 (E_RNA) where: Base-Base interactions energy: -1733.437 where: short stacking energy: -791.722 Base-Backbone interact. energy: 3.337 local terms energy: -826.261832 where: bonds (distance) C4'-P energy: -161.306 bonds (distance) P-C4' energy: -151.629 flat angles C4'-P-C4' energy: -181.914 flat angles P-C4'-P energy: -117.527 tors. eta vs tors. theta energy: -213.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2460.872548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.872548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.872548 (E_RNA) where: Base-Base interactions energy: -1619.061 where: short stacking energy: -726.264 Base-Backbone interact. energy: -3.533 local terms energy: -838.278460 where: bonds (distance) C4'-P energy: -166.085 bonds (distance) P-C4' energy: -173.963 flat angles C4'-P-C4' energy: -177.197 flat angles P-C4'-P energy: -108.791 tors. eta vs tors. theta energy: -212.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2351.719293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.719293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.719293 (E_RNA) where: Base-Base interactions energy: -1588.401 where: short stacking energy: -698.815 Base-Backbone interact. energy: -4.532 local terms energy: -758.785992 where: bonds (distance) C4'-P energy: -151.721 bonds (distance) P-C4' energy: -154.825 flat angles C4'-P-C4' energy: -163.174 flat angles P-C4'-P energy: -109.444 tors. eta vs tors. theta energy: -179.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1858.840221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.840221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.840221 (E_RNA) where: Base-Base interactions energy: -1218.707 where: short stacking energy: -532.602 Base-Backbone interact. energy: -0.622 local terms energy: -639.511337 where: bonds (distance) C4'-P energy: -124.136 bonds (distance) P-C4' energy: -140.718 flat angles C4'-P-C4' energy: -165.675 flat angles P-C4'-P energy: -97.642 tors. eta vs tors. theta energy: -111.341 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: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1155.064128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.064128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.064128 (E_RNA) where: Base-Base interactions energy: -595.607 where: short stacking energy: -308.981 Base-Backbone interact. energy: 4.262 local terms energy: -563.719306 where: bonds (distance) C4'-P energy: -152.820 bonds (distance) P-C4' energy: -150.080 flat angles C4'-P-C4' energy: -151.693 flat angles P-C4'-P energy: -87.657 tors. eta vs tors. theta energy: -21.469 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: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -970.059770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.059770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.059770 (E_RNA) where: Base-Base interactions energy: -475.082 where: short stacking energy: -268.826 Base-Backbone interact. energy: 0.101 local terms energy: -495.079062 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -135.581 flat angles P-C4'-P energy: -61.019 tors. eta vs tors. theta energy: 5.262 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: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -711.815622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.815622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.815622 (E_RNA) where: Base-Base interactions energy: -263.766 where: short stacking energy: -179.286 Base-Backbone interact. energy: 4.511 local terms energy: -452.560471 where: bonds (distance) C4'-P energy: -160.525 bonds (distance) P-C4' energy: -149.942 flat angles C4'-P-C4' energy: -133.508 flat angles P-C4'-P energy: -55.678 tors. eta vs tors. theta energy: 47.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3083.627326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.627326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.627326 (E_RNA) where: Base-Base interactions energy: -2111.360 where: short stacking energy: -902.244 Base-Backbone interact. energy: -0.985 local terms energy: -971.281788 where: bonds (distance) C4'-P energy: -188.186 bonds (distance) P-C4' energy: -169.850 flat angles C4'-P-C4' energy: -214.280 flat angles P-C4'-P energy: -126.789 tors. eta vs tors. theta energy: -272.177 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: 350 Temperature: 0.950000 Total energy: -3002.373521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.373521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.373521 (E_RNA) where: Base-Base interactions energy: -2068.968 where: short stacking energy: -845.769 Base-Backbone interact. energy: -3.533 local terms energy: -929.872424 where: bonds (distance) C4'-P energy: -173.628 bonds (distance) P-C4' energy: -188.532 flat angles C4'-P-C4' energy: -198.691 flat angles P-C4'-P energy: -122.668 tors. eta vs tors. theta energy: -246.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2801.930453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.930453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.930453 (E_RNA) where: Base-Base interactions energy: -1896.363 where: short stacking energy: -841.805 Base-Backbone interact. energy: 0.416 local terms energy: -905.983545 where: bonds (distance) C4'-P energy: -182.856 bonds (distance) P-C4' energy: -162.966 flat angles C4'-P-C4' energy: -187.322 flat angles P-C4'-P energy: -138.996 tors. eta vs tors. theta energy: -233.844 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: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2569.940126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.940126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.940126 (E_RNA) where: Base-Base interactions energy: -1719.166 where: short stacking energy: -748.916 Base-Backbone interact. energy: 3.063 local terms energy: -853.836605 where: bonds (distance) C4'-P energy: -166.246 bonds (distance) P-C4' energy: -167.202 flat angles C4'-P-C4' energy: -193.617 flat angles P-C4'-P energy: -120.887 tors. eta vs tors. theta energy: -205.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2449.146264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.146264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.146264 (E_RNA) where: Base-Base interactions energy: -1622.549 where: short stacking energy: -709.306 Base-Backbone interact. energy: -0.777 local terms energy: -825.820607 where: bonds (distance) C4'-P energy: -161.423 bonds (distance) P-C4' energy: -154.784 flat angles C4'-P-C4' energy: -170.508 flat angles P-C4'-P energy: -135.385 tors. eta vs tors. theta energy: -203.721 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: 350 Temperature: 1.150000 Total energy: -2295.779519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.779519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.779519 (E_RNA) where: Base-Base interactions energy: -1527.530 where: short stacking energy: -671.748 Base-Backbone interact. energy: -3.186 local terms energy: -765.063472 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -154.802 flat angles C4'-P-C4' energy: -176.713 flat angles P-C4'-P energy: -102.581 tors. eta vs tors. theta energy: -178.438 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: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1798.821572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.821572 (E_RNA) where: Base-Base interactions energy: -1138.341 where: short stacking energy: -535.116 Base-Backbone interact. energy: -3.510 local terms energy: -656.970642 where: bonds (distance) C4'-P energy: -149.504 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -133.422 flat angles P-C4'-P energy: -111.147 tors. eta vs tors. theta energy: -109.386 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1201.091224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.091224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.091224 (E_RNA) where: Base-Base interactions energy: -634.294 where: short stacking energy: -315.864 Base-Backbone interact. energy: 0.099 local terms energy: -566.896454 where: bonds (distance) C4'-P energy: -159.329 bonds (distance) P-C4' energy: -161.828 flat angles C4'-P-C4' energy: -121.329 flat angles P-C4'-P energy: -91.243 tors. eta vs tors. theta energy: -33.166 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: 350 Temperature: 1.300000 Total energy: -913.575434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.575434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.575434 (E_RNA) where: Base-Base interactions energy: -406.589 where: short stacking energy: -231.756 Base-Backbone interact. energy: 7.586 local terms energy: -514.573067 where: bonds (distance) C4'-P energy: -130.344 bonds (distance) P-C4' energy: -165.068 flat angles C4'-P-C4' energy: -144.094 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -712.875543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.875543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.875543 (E_RNA) where: Base-Base interactions energy: -311.330 where: short stacking energy: -201.910 Base-Backbone interact. energy: 3.150 local terms energy: -404.696031 where: bonds (distance) C4'-P energy: -136.686 bonds (distance) P-C4' energy: -134.712 flat angles C4'-P-C4' energy: -128.211 flat angles P-C4'-P energy: -45.422 tors. eta vs tors. theta energy: 40.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3110.949653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.949653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.949653 (E_RNA) where: Base-Base interactions energy: -2126.814 where: short stacking energy: -914.264 Base-Backbone interact. energy: -5.021 local terms energy: -979.114200 where: bonds (distance) C4'-P energy: -174.615 bonds (distance) P-C4' energy: -188.199 flat angles C4'-P-C4' energy: -202.823 flat angles P-C4'-P energy: -147.850 tors. eta vs tors. theta energy: -265.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2937.139632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.139632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.139632 (E_RNA) where: Base-Base interactions energy: -2000.757 where: short stacking energy: -832.003 Base-Backbone interact. energy: 1.044 local terms energy: -937.426758 where: bonds (distance) C4'-P energy: -180.193 bonds (distance) P-C4' energy: -176.268 flat angles C4'-P-C4' energy: -221.131 flat angles P-C4'-P energy: -139.214 tors. eta vs tors. theta energy: -220.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2840.053054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.053054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.053054 (E_RNA) where: Base-Base interactions energy: -1953.544 where: short stacking energy: -833.568 Base-Backbone interact. energy: -0.776 local terms energy: -885.733015 where: bonds (distance) C4'-P energy: -167.529 bonds (distance) P-C4' energy: -179.414 flat angles C4'-P-C4' energy: -201.751 flat angles P-C4'-P energy: -101.141 tors. eta vs tors. theta energy: -235.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2549.270077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.270077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.270077 (E_RNA) where: Base-Base interactions energy: -1682.065 where: short stacking energy: -745.324 Base-Backbone interact. energy: -3.907 local terms energy: -863.297542 where: bonds (distance) C4'-P energy: -176.273 bonds (distance) P-C4' energy: -172.734 flat angles C4'-P-C4' energy: -176.455 flat angles P-C4'-P energy: -125.481 tors. eta vs tors. theta energy: -212.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2458.321276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.321276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.321276 (E_RNA) where: Base-Base interactions energy: -1654.506 where: short stacking energy: -754.101 Base-Backbone interact. energy: -2.560 local terms energy: -801.255544 where: bonds (distance) C4'-P energy: -148.647 bonds (distance) P-C4' energy: -166.650 flat angles C4'-P-C4' energy: -188.949 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: -208.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2300.033858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.033858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.033858 (E_RNA) where: Base-Base interactions energy: -1534.792 where: short stacking energy: -678.756 Base-Backbone interact. energy: 0.374 local terms energy: -765.615997 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -150.588 flat angles C4'-P-C4' energy: -181.973 flat angles P-C4'-P energy: -116.626 tors. eta vs tors. theta energy: -168.664 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: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1819.262768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.262768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.262768 (E_RNA) where: Base-Base interactions energy: -1144.842 where: short stacking energy: -541.396 Base-Backbone interact. energy: 6.673 local terms energy: -681.093794 where: bonds (distance) C4'-P energy: -153.831 bonds (distance) P-C4' energy: -151.366 flat angles C4'-P-C4' energy: -157.742 flat angles P-C4'-P energy: -110.095 tors. eta vs tors. theta energy: -108.060 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: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1221.187304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.187304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.187304 (E_RNA) where: Base-Base interactions energy: -633.444 where: short stacking energy: -352.246 Base-Backbone interact. energy: 0.937 local terms energy: -588.680010 where: bonds (distance) C4'-P energy: -159.981 bonds (distance) P-C4' energy: -171.276 flat angles C4'-P-C4' energy: -129.588 flat angles P-C4'-P energy: -73.511 tors. eta vs tors. theta energy: -54.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -903.436517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.436517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.436517 (E_RNA) where: Base-Base interactions energy: -423.125 where: short stacking energy: -282.415 Base-Backbone interact. energy: -1.212 local terms energy: -479.099454 where: bonds (distance) C4'-P energy: -138.680 bonds (distance) P-C4' energy: -152.731 flat angles C4'-P-C4' energy: -125.574 flat angles P-C4'-P energy: -52.340 tors. eta vs tors. theta energy: -9.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -773.024829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.024829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.024829 (E_RNA) where: Base-Base interactions energy: -339.211 where: short stacking energy: -219.711 Base-Backbone interact. energy: 13.281 local terms energy: -447.094681 where: bonds (distance) C4'-P energy: -134.667 bonds (distance) P-C4' energy: -139.294 flat angles C4'-P-C4' energy: -140.385 flat angles P-C4'-P energy: -66.296 tors. eta vs tors. theta energy: 33.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3067.646815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.646815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.646815 (E_RNA) where: Base-Base interactions energy: -2079.772 where: short stacking energy: -898.083 Base-Backbone interact. energy: -1.246 local terms energy: -986.628468 where: bonds (distance) C4'-P energy: -201.730 bonds (distance) P-C4' energy: -190.681 flat angles C4'-P-C4' energy: -209.319 flat angles P-C4'-P energy: -119.580 tors. eta vs tors. theta energy: -265.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2971.426547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.426547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.426547 (E_RNA) where: Base-Base interactions energy: -2051.087 where: short stacking energy: -832.383 Base-Backbone interact. energy: -2.841 local terms energy: -917.499361 where: bonds (distance) C4'-P energy: -164.584 bonds (distance) P-C4' energy: -169.620 flat angles C4'-P-C4' energy: -211.803 flat angles P-C4'-P energy: -126.080 tors. eta vs tors. theta energy: -245.412 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: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2795.891082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.891082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.891082 (E_RNA) where: Base-Base interactions energy: -1912.429 where: short stacking energy: -814.484 Base-Backbone interact. energy: 1.929 local terms energy: -885.391973 where: bonds (distance) C4'-P energy: -175.327 bonds (distance) P-C4' energy: -165.836 flat angles C4'-P-C4' energy: -209.381 flat angles P-C4'-P energy: -110.515 tors. eta vs tors. theta energy: -224.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2551.979082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.979082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.979082 (E_RNA) where: Base-Base interactions energy: -1720.468 where: short stacking energy: -742.323 Base-Backbone interact. energy: -5.521 local terms energy: -825.989510 where: bonds (distance) C4'-P energy: -156.071 bonds (distance) P-C4' energy: -159.831 flat angles C4'-P-C4' energy: -180.966 flat angles P-C4'-P energy: -122.598 tors. eta vs tors. theta energy: -206.523 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: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2516.291442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.291442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.291442 (E_RNA) where: Base-Base interactions energy: -1670.767 where: short stacking energy: -752.638 Base-Backbone interact. energy: -4.224 local terms energy: -841.301164 where: bonds (distance) C4'-P energy: -173.164 bonds (distance) P-C4' energy: -139.335 flat angles C4'-P-C4' energy: -180.845 flat angles P-C4'-P energy: -134.054 tors. eta vs tors. theta energy: -213.904 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: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2313.785233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.785233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.785233 (E_RNA) where: Base-Base interactions energy: -1559.257 where: short stacking energy: -692.908 Base-Backbone interact. energy: 1.238 local terms energy: -755.767151 where: bonds (distance) C4'-P energy: -137.291 bonds (distance) P-C4' energy: -159.603 flat angles C4'-P-C4' energy: -173.515 flat angles P-C4'-P energy: -103.090 tors. eta vs tors. theta energy: -182.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1850.964234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.964234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.964234 (E_RNA) where: Base-Base interactions energy: -1165.417 where: short stacking energy: -543.372 Base-Backbone interact. energy: -1.811 local terms energy: -683.736089 where: bonds (distance) C4'-P energy: -147.968 bonds (distance) P-C4' energy: -149.514 flat angles C4'-P-C4' energy: -176.630 flat angles P-C4'-P energy: -98.862 tors. eta vs tors. theta energy: -110.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1250.336989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.336989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.336989 (E_RNA) where: Base-Base interactions energy: -675.197 where: short stacking energy: -376.811 Base-Backbone interact. energy: 2.513 local terms energy: -577.652876 where: bonds (distance) C4'-P energy: -152.167 bonds (distance) P-C4' energy: -144.710 flat angles C4'-P-C4' energy: -150.900 flat angles P-C4'-P energy: -110.802 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: 352 Temperature: 1.300000 Total energy: -962.784820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.784820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.784820 (E_RNA) where: Base-Base interactions energy: -452.052 where: short stacking energy: -251.252 Base-Backbone interact. energy: -1.753 local terms energy: -508.979514 where: bonds (distance) C4'-P energy: -145.074 bonds (distance) P-C4' energy: -176.039 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -65.910 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: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -782.956193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.956193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.956193 (E_RNA) where: Base-Base interactions energy: -318.675 where: short stacking energy: -203.825 Base-Backbone interact. energy: 6.295 local terms energy: -470.576335 where: bonds (distance) C4'-P energy: -131.905 bonds (distance) P-C4' energy: -158.258 flat angles C4'-P-C4' energy: -142.050 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: 23.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3055.391292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.391292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.391292 (E_RNA) where: Base-Base interactions energy: -2088.004 where: short stacking energy: -927.996 Base-Backbone interact. energy: 0.438 local terms energy: -967.825273 where: bonds (distance) C4'-P energy: -184.741 bonds (distance) P-C4' energy: -180.689 flat angles C4'-P-C4' energy: -206.645 flat angles P-C4'-P energy: -134.742 tors. eta vs tors. theta energy: -261.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -3008.110063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.110063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.110063 (E_RNA) where: Base-Base interactions energy: -2068.443 where: short stacking energy: -875.977 Base-Backbone interact. energy: -1.259 local terms energy: -938.407559 where: bonds (distance) C4'-P energy: -173.704 bonds (distance) P-C4' energy: -165.219 flat angles C4'-P-C4' energy: -210.445 flat angles P-C4'-P energy: -140.803 tors. eta vs tors. theta energy: -248.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2762.676592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.676592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.676592 (E_RNA) where: Base-Base interactions energy: -1891.166 where: short stacking energy: -816.617 Base-Backbone interact. energy: -0.487 local terms energy: -871.023122 where: bonds (distance) C4'-P energy: -170.158 bonds (distance) P-C4' energy: -159.218 flat angles C4'-P-C4' energy: -184.950 flat angles P-C4'-P energy: -113.695 tors. eta vs tors. theta energy: -243.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2639.170934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.170934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.170934 (E_RNA) where: Base-Base interactions energy: -1777.270 where: short stacking energy: -803.131 Base-Backbone interact. energy: -2.521 local terms energy: -859.380476 where: bonds (distance) C4'-P energy: -157.462 bonds (distance) P-C4' energy: -178.203 flat angles C4'-P-C4' energy: -187.597 flat angles P-C4'-P energy: -107.022 tors. eta vs tors. theta energy: -229.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2425.300324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.300324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.300324 (E_RNA) where: Base-Base interactions energy: -1636.405 where: short stacking energy: -705.657 Base-Backbone interact. energy: -3.009 local terms energy: -785.887037 where: bonds (distance) C4'-P energy: -154.969 bonds (distance) P-C4' energy: -153.481 flat angles C4'-P-C4' energy: -185.669 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: -191.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2216.176426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.176426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.176426 (E_RNA) where: Base-Base interactions energy: -1442.171 where: short stacking energy: -655.628 Base-Backbone interact. energy: 0.056 local terms energy: -774.061671 where: bonds (distance) C4'-P energy: -159.034 bonds (distance) P-C4' energy: -171.271 flat angles C4'-P-C4' energy: -176.214 flat angles P-C4'-P energy: -103.752 tors. eta vs tors. theta energy: -163.790 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: 353 Temperature: 1.200000 Total energy: -1811.857558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.857558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.857558 (E_RNA) where: Base-Base interactions energy: -1168.533 where: short stacking energy: -556.555 Base-Backbone interact. energy: -2.165 local terms energy: -641.159903 where: bonds (distance) C4'-P energy: -131.219 bonds (distance) P-C4' energy: -144.715 flat angles C4'-P-C4' energy: -164.052 flat angles P-C4'-P energy: -98.430 tors. eta vs tors. theta energy: -102.744 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: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1282.858404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.858404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.858404 (E_RNA) where: Base-Base interactions energy: -689.005 where: short stacking energy: -351.081 Base-Backbone interact. energy: -3.217 local terms energy: -590.636417 where: bonds (distance) C4'-P energy: -138.338 bonds (distance) P-C4' energy: -172.225 flat angles C4'-P-C4' energy: -141.160 flat angles P-C4'-P energy: -88.815 tors. eta vs tors. theta energy: -50.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -958.434444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.434444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.434444 (E_RNA) where: Base-Base interactions energy: -447.829 where: short stacking energy: -268.046 Base-Backbone interact. energy: -1.262 local terms energy: -509.344040 where: bonds (distance) C4'-P energy: -143.493 bonds (distance) P-C4' energy: -159.698 flat angles C4'-P-C4' energy: -121.059 flat angles P-C4'-P energy: -76.853 tors. eta vs tors. theta energy: -8.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -749.344712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.344712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.344712 (E_RNA) where: Base-Base interactions energy: -284.609 where: short stacking energy: -201.996 Base-Backbone interact. energy: 11.816 local terms energy: -476.552001 where: bonds (distance) C4'-P energy: -136.897 bonds (distance) P-C4' energy: -161.369 flat angles C4'-P-C4' energy: -122.981 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: 17.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3115.940123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.940123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.940123 (E_RNA) where: Base-Base interactions energy: -2123.104 where: short stacking energy: -941.065 Base-Backbone interact. energy: -3.727 local terms energy: -989.108922 where: bonds (distance) C4'-P energy: -186.103 bonds (distance) P-C4' energy: -173.684 flat angles C4'-P-C4' energy: -219.545 flat angles P-C4'-P energy: -140.840 tors. eta vs tors. theta energy: -268.937 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: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2978.500864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.500864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.500864 (E_RNA) where: Base-Base interactions energy: -2044.525 where: short stacking energy: -845.156 Base-Backbone interact. energy: 1.451 local terms energy: -935.427079 where: bonds (distance) C4'-P energy: -179.947 bonds (distance) P-C4' energy: -177.545 flat angles C4'-P-C4' energy: -205.996 flat angles P-C4'-P energy: -132.205 tors. eta vs tors. theta energy: -239.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2812.660757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.660757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.660757 (E_RNA) where: Base-Base interactions energy: -1908.950 where: short stacking energy: -877.752 Base-Backbone interact. energy: 1.109 local terms energy: -904.819520 where: bonds (distance) C4'-P energy: -173.273 bonds (distance) P-C4' energy: -182.352 flat angles C4'-P-C4' energy: -182.757 flat angles P-C4'-P energy: -121.463 tors. eta vs tors. theta energy: -244.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2621.736993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.736993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.736993 (E_RNA) where: Base-Base interactions energy: -1772.389 where: short stacking energy: -827.721 Base-Backbone interact. energy: -3.150 local terms energy: -846.197723 where: bonds (distance) C4'-P energy: -158.056 bonds (distance) P-C4' energy: -153.110 flat angles C4'-P-C4' energy: -202.368 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -222.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2444.584989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.584989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.584989 (E_RNA) where: Base-Base interactions energy: -1623.505 where: short stacking energy: -700.282 Base-Backbone interact. energy: 0.345 local terms energy: -821.425474 where: bonds (distance) C4'-P energy: -163.233 bonds (distance) P-C4' energy: -170.649 flat angles C4'-P-C4' energy: -196.229 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -188.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2252.862008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.862008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.862008 (E_RNA) where: Base-Base interactions energy: -1492.269 where: short stacking energy: -635.275 Base-Backbone interact. energy: -2.267 local terms energy: -758.326877 where: bonds (distance) C4'-P energy: -157.337 bonds (distance) P-C4' energy: -149.568 flat angles C4'-P-C4' energy: -171.312 flat angles P-C4'-P energy: -108.627 tors. eta vs tors. theta energy: -171.484 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1834.910339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.910339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.910339 (E_RNA) where: Base-Base interactions energy: -1167.768 where: short stacking energy: -524.206 Base-Backbone interact. energy: 1.852 local terms energy: -668.994671 where: bonds (distance) C4'-P energy: -146.431 bonds (distance) P-C4' energy: -169.568 flat angles C4'-P-C4' energy: -168.856 flat angles P-C4'-P energy: -88.435 tors. eta vs tors. theta energy: -95.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1304.846797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.846797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.846797 (E_RNA) where: Base-Base interactions energy: -720.217 where: short stacking energy: -366.153 Base-Backbone interact. energy: 7.483 local terms energy: -592.113466 where: bonds (distance) C4'-P energy: -153.190 bonds (distance) P-C4' energy: -149.611 flat angles C4'-P-C4' energy: -144.689 flat angles P-C4'-P energy: -101.573 tors. eta vs tors. theta energy: -43.050 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: 354 Temperature: 1.300000 Total energy: -904.064491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.064491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.064491 (E_RNA) where: Base-Base interactions energy: -428.995 where: short stacking energy: -229.009 Base-Backbone interact. energy: -0.332 local terms energy: -474.737700 where: bonds (distance) C4'-P energy: -138.845 bonds (distance) P-C4' energy: -170.014 flat angles C4'-P-C4' energy: -123.147 flat angles P-C4'-P energy: -75.382 tors. eta vs tors. theta energy: 32.651 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: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -777.633432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.633432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.633432 (E_RNA) where: Base-Base interactions energy: -345.539 where: short stacking energy: -206.964 Base-Backbone interact. energy: -1.951 local terms energy: -430.143112 where: bonds (distance) C4'-P energy: -133.266 bonds (distance) P-C4' energy: -154.319 flat angles C4'-P-C4' energy: -105.886 flat angles P-C4'-P energy: -51.254 tors. eta vs tors. theta energy: 14.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3140.778439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.778439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.778439 (E_RNA) where: Base-Base interactions energy: -2133.877 where: short stacking energy: -905.010 Base-Backbone interact. energy: -3.802 local terms energy: -1003.099581 where: bonds (distance) C4'-P energy: -192.579 bonds (distance) P-C4' energy: -190.541 flat angles C4'-P-C4' energy: -215.584 flat angles P-C4'-P energy: -145.607 tors. eta vs tors. theta energy: -258.789 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: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2984.767725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.767725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.767725 (E_RNA) where: Base-Base interactions energy: -2044.021 where: short stacking energy: -849.408 Base-Backbone interact. energy: -4.340 local terms energy: -936.406147 where: bonds (distance) C4'-P energy: -166.659 bonds (distance) P-C4' energy: -177.857 flat angles C4'-P-C4' energy: -196.694 flat angles P-C4'-P energy: -142.574 tors. eta vs tors. theta energy: -252.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2824.487036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.487036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.487036 (E_RNA) where: Base-Base interactions energy: -1911.202 where: short stacking energy: -849.010 Base-Backbone interact. energy: 1.424 local terms energy: -914.709850 where: bonds (distance) C4'-P energy: -165.698 bonds (distance) P-C4' energy: -190.968 flat angles C4'-P-C4' energy: -195.473 flat angles P-C4'-P energy: -99.828 tors. eta vs tors. theta energy: -262.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2614.439038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.439038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.439038 (E_RNA) where: Base-Base interactions energy: -1743.954 where: short stacking energy: -786.114 Base-Backbone interact. energy: 0.353 local terms energy: -870.838629 where: bonds (distance) C4'-P energy: -174.769 bonds (distance) P-C4' energy: -145.114 flat angles C4'-P-C4' energy: -198.737 flat angles P-C4'-P energy: -125.952 tors. eta vs tors. theta energy: -226.266 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: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2434.923873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.923873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.923873 (E_RNA) where: Base-Base interactions energy: -1620.678 where: short stacking energy: -725.650 Base-Backbone interact. energy: -0.940 local terms energy: -813.306485 where: bonds (distance) C4'-P energy: -160.302 bonds (distance) P-C4' energy: -178.011 flat angles C4'-P-C4' energy: -165.699 flat angles P-C4'-P energy: -122.013 tors. eta vs tors. theta energy: -187.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2226.711037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.711037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.711037 (E_RNA) where: Base-Base interactions energy: -1458.992 where: short stacking energy: -658.031 Base-Backbone interact. energy: -2.180 local terms energy: -765.539568 where: bonds (distance) C4'-P energy: -148.113 bonds (distance) P-C4' energy: -153.270 flat angles C4'-P-C4' energy: -178.577 flat angles P-C4'-P energy: -111.712 tors. eta vs tors. theta energy: -173.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1820.249539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.249539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.249539 (E_RNA) where: Base-Base interactions energy: -1142.759 where: short stacking energy: -533.611 Base-Backbone interact. energy: -2.131 local terms energy: -675.359691 where: bonds (distance) C4'-P energy: -160.224 bonds (distance) P-C4' energy: -150.504 flat angles C4'-P-C4' energy: -146.977 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -109.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1308.497018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.497018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.497018 (E_RNA) where: Base-Base interactions energy: -736.939 where: short stacking energy: -409.021 Base-Backbone interact. energy: -1.045 local terms energy: -570.513166 where: bonds (distance) C4'-P energy: -146.492 bonds (distance) P-C4' energy: -151.206 flat angles C4'-P-C4' energy: -125.858 flat angles P-C4'-P energy: -91.485 tors. eta vs tors. theta energy: -55.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -941.136437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.136437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.136437 (E_RNA) where: Base-Base interactions energy: -469.501 where: short stacking energy: -254.761 Base-Backbone interact. energy: 0.371 local terms energy: -472.006969 where: bonds (distance) C4'-P energy: -162.675 bonds (distance) P-C4' energy: -118.722 flat angles C4'-P-C4' energy: -133.815 flat angles P-C4'-P energy: -66.487 tors. eta vs tors. theta energy: 9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -758.931169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.931169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.931169 (E_RNA) where: Base-Base interactions energy: -288.898 where: short stacking energy: -184.372 Base-Backbone interact. energy: -1.297 local terms energy: -468.736329 where: bonds (distance) C4'-P energy: -132.274 bonds (distance) P-C4' energy: -152.168 flat angles C4'-P-C4' energy: -133.271 flat angles P-C4'-P energy: -91.281 tors. eta vs tors. theta energy: 40.257 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: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3078.550977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.550977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.550977 (E_RNA) where: Base-Base interactions energy: -2102.217 where: short stacking energy: -852.469 Base-Backbone interact. energy: -8.380 local terms energy: -967.953648 where: bonds (distance) C4'-P energy: -172.061 bonds (distance) P-C4' energy: -186.789 flat angles C4'-P-C4' energy: -203.665 flat angles P-C4'-P energy: -144.993 tors. eta vs tors. theta energy: -260.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2989.407229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.407229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.407229 (E_RNA) where: Base-Base interactions energy: -2049.324 where: short stacking energy: -885.816 Base-Backbone interact. energy: -5.009 local terms energy: -935.073608 where: bonds (distance) C4'-P energy: -166.035 bonds (distance) P-C4' energy: -166.731 flat angles C4'-P-C4' energy: -206.867 flat angles P-C4'-P energy: -131.573 tors. eta vs tors. theta energy: -263.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2761.731381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.731381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.731381 (E_RNA) where: Base-Base interactions energy: -1860.612 where: short stacking energy: -832.306 Base-Backbone interact. energy: -2.452 local terms energy: -898.668198 where: bonds (distance) C4'-P energy: -178.801 bonds (distance) P-C4' energy: -171.336 flat angles C4'-P-C4' energy: -193.336 flat angles P-C4'-P energy: -115.610 tors. eta vs tors. theta energy: -239.584 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: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2605.371625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.371625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.371625 (E_RNA) where: Base-Base interactions energy: -1725.795 where: short stacking energy: -793.330 Base-Backbone interact. energy: -2.944 local terms energy: -876.632278 where: bonds (distance) C4'-P energy: -146.526 bonds (distance) P-C4' energy: -181.241 flat angles C4'-P-C4' energy: -196.493 flat angles P-C4'-P energy: -120.694 tors. eta vs tors. theta energy: -231.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2473.756689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.756689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.756689 (E_RNA) where: Base-Base interactions energy: -1659.806 where: short stacking energy: -730.289 Base-Backbone interact. energy: -1.094 local terms energy: -812.857157 where: bonds (distance) C4'-P energy: -153.096 bonds (distance) P-C4' energy: -157.441 flat angles C4'-P-C4' energy: -186.074 flat angles P-C4'-P energy: -109.782 tors. eta vs tors. theta energy: -206.465 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: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2265.731361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.731361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.731361 (E_RNA) where: Base-Base interactions energy: -1486.598 where: short stacking energy: -690.277 Base-Backbone interact. energy: -2.411 local terms energy: -776.722592 where: bonds (distance) C4'-P energy: -150.460 bonds (distance) P-C4' energy: -159.991 flat angles C4'-P-C4' energy: -178.430 flat angles P-C4'-P energy: -106.421 tors. eta vs tors. theta energy: -181.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1834.148850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.148850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.148850 (E_RNA) where: Base-Base interactions energy: -1176.325 where: short stacking energy: -495.172 Base-Backbone interact. energy: -0.542 local terms energy: -657.282501 where: bonds (distance) C4'-P energy: -151.276 bonds (distance) P-C4' energy: -154.663 flat angles C4'-P-C4' energy: -152.912 flat angles P-C4'-P energy: -92.956 tors. eta vs tors. theta energy: -105.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1337.912083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.912083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.912083 (E_RNA) where: Base-Base interactions energy: -752.246 where: short stacking energy: -434.785 Base-Backbone interact. energy: 3.843 local terms energy: -589.509430 where: bonds (distance) C4'-P energy: -152.683 bonds (distance) P-C4' energy: -163.976 flat angles C4'-P-C4' energy: -150.923 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -49.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -901.736408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.736408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.736408 (E_RNA) where: Base-Base interactions energy: -432.443 where: short stacking energy: -262.186 Base-Backbone interact. energy: -1.055 local terms energy: -468.238461 where: bonds (distance) C4'-P energy: -135.691 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -124.262 flat angles P-C4'-P energy: -61.161 tors. eta vs tors. theta energy: 12.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -763.942577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.942577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.942577 (E_RNA) where: Base-Base interactions energy: -297.076 where: short stacking energy: -164.251 Base-Backbone interact. energy: 4.594 local terms energy: -471.460596 where: bonds (distance) C4'-P energy: -142.882 bonds (distance) P-C4' energy: -167.321 flat angles C4'-P-C4' energy: -126.152 flat angles P-C4'-P energy: -77.107 tors. eta vs tors. theta energy: 42.002 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: 357 Temperature: 0.900000 Total energy: -3120.470614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.470614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.470614 (E_RNA) where: Base-Base interactions energy: -2141.261 where: short stacking energy: -897.383 Base-Backbone interact. energy: -4.263 local terms energy: -974.946589 where: bonds (distance) C4'-P energy: -175.552 bonds (distance) P-C4' energy: -179.788 flat angles C4'-P-C4' energy: -217.896 flat angles P-C4'-P energy: -143.172 tors. eta vs tors. theta energy: -258.539 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: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2998.352207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.352207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.352207 (E_RNA) where: Base-Base interactions energy: -2042.404 where: short stacking energy: -899.558 Base-Backbone interact. energy: -1.213 local terms energy: -954.735717 where: bonds (distance) C4'-P energy: -189.179 bonds (distance) P-C4' energy: -172.643 flat angles C4'-P-C4' energy: -199.175 flat angles P-C4'-P energy: -130.765 tors. eta vs tors. theta energy: -262.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2823.376465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.376465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.376465 (E_RNA) where: Base-Base interactions energy: -1934.283 where: short stacking energy: -878.258 Base-Backbone interact. energy: -0.540 local terms energy: -888.554249 where: bonds (distance) C4'-P energy: -167.745 bonds (distance) P-C4' energy: -172.675 flat angles C4'-P-C4' energy: -191.453 flat angles P-C4'-P energy: -114.945 tors. eta vs tors. theta energy: -241.737 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: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2676.777345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.777345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.777345 (E_RNA) where: Base-Base interactions energy: -1775.653 where: short stacking energy: -837.245 Base-Backbone interact. energy: -4.591 local terms energy: -896.533131 where: bonds (distance) C4'-P energy: -153.912 bonds (distance) P-C4' energy: -179.865 flat angles C4'-P-C4' energy: -191.270 flat angles P-C4'-P energy: -115.479 tors. eta vs tors. theta energy: -256.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2403.401592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.401592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.401592 (E_RNA) where: Base-Base interactions energy: -1578.588 where: short stacking energy: -704.735 Base-Backbone interact. energy: -0.120 local terms energy: -824.694066 where: bonds (distance) C4'-P energy: -159.923 bonds (distance) P-C4' energy: -160.539 flat angles C4'-P-C4' energy: -167.726 flat angles P-C4'-P energy: -129.409 tors. eta vs tors. theta energy: -207.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2206.227427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.227427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.227427 (E_RNA) where: Base-Base interactions energy: -1428.925 where: short stacking energy: -624.217 Base-Backbone interact. energy: 0.149 local terms energy: -777.451144 where: bonds (distance) C4'-P energy: -168.319 bonds (distance) P-C4' energy: -178.125 flat angles C4'-P-C4' energy: -176.857 flat angles P-C4'-P energy: -98.942 tors. eta vs tors. theta energy: -155.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1862.104662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.104662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.104662 (E_RNA) where: Base-Base interactions energy: -1164.090 where: short stacking energy: -503.326 Base-Backbone interact. energy: 0.557 local terms energy: -698.572126 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -185.470 flat angles C4'-P-C4' energy: -155.728 flat angles P-C4'-P energy: -89.094 tors. eta vs tors. theta energy: -119.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1265.736181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.736181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.736181 (E_RNA) where: Base-Base interactions energy: -696.377 where: short stacking energy: -357.559 Base-Backbone interact. energy: -2.769 local terms energy: -566.589782 where: bonds (distance) C4'-P energy: -128.523 bonds (distance) P-C4' energy: -183.412 flat angles C4'-P-C4' energy: -155.187 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -25.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -892.140530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.140530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.140530 (E_RNA) where: Base-Base interactions energy: -410.087 where: short stacking energy: -224.112 Base-Backbone interact. energy: -1.218 local terms energy: -480.834996 where: bonds (distance) C4'-P energy: -169.663 bonds (distance) P-C4' energy: -134.972 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -68.494 tors. eta vs tors. theta energy: 32.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -821.263003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.263003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.263003 (E_RNA) where: Base-Base interactions energy: -354.968 where: short stacking energy: -245.555 Base-Backbone interact. energy: 6.963 local terms energy: -473.258399 where: bonds (distance) C4'-P energy: -129.161 bonds (distance) P-C4' energy: -159.810 flat angles C4'-P-C4' energy: -138.417 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: 22.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3106.592319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.592319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.592319 (E_RNA) where: Base-Base interactions energy: -2139.597 where: short stacking energy: -884.241 Base-Backbone interact. energy: 0.089 local terms energy: -967.085244 where: bonds (distance) C4'-P energy: -171.278 bonds (distance) P-C4' energy: -194.895 flat angles C4'-P-C4' energy: -211.767 flat angles P-C4'-P energy: -142.560 tors. eta vs tors. theta energy: -246.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2965.914567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.914567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.914567 (E_RNA) where: Base-Base interactions energy: -2028.695 where: short stacking energy: -892.539 Base-Backbone interact. energy: -4.350 local terms energy: -932.869362 where: bonds (distance) C4'-P energy: -165.396 bonds (distance) P-C4' energy: -167.232 flat angles C4'-P-C4' energy: -203.312 flat angles P-C4'-P energy: -128.985 tors. eta vs tors. theta energy: -267.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2796.595331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.595331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.595331 (E_RNA) where: Base-Base interactions energy: -1913.529 where: short stacking energy: -845.922 Base-Backbone interact. energy: -3.268 local terms energy: -879.798261 where: bonds (distance) C4'-P energy: -167.288 bonds (distance) P-C4' energy: -172.513 flat angles C4'-P-C4' energy: -192.382 flat angles P-C4'-P energy: -114.565 tors. eta vs tors. theta energy: -233.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2620.195335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.195335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.195335 (E_RNA) where: Base-Base interactions energy: -1730.314 where: short stacking energy: -785.038 Base-Backbone interact. energy: -0.206 local terms energy: -889.675924 where: bonds (distance) C4'-P energy: -177.602 bonds (distance) P-C4' energy: -179.226 flat angles C4'-P-C4' energy: -176.210 flat angles P-C4'-P energy: -129.160 tors. eta vs tors. theta energy: -227.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2456.003223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.003223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.003223 (E_RNA) where: Base-Base interactions energy: -1628.959 where: short stacking energy: -739.943 Base-Backbone interact. energy: -3.768 local terms energy: -823.276599 where: bonds (distance) C4'-P energy: -169.891 bonds (distance) P-C4' energy: -153.833 flat angles C4'-P-C4' energy: -188.978 flat angles P-C4'-P energy: -108.906 tors. eta vs tors. theta energy: -201.668 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: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2191.241054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.241054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.241054 (E_RNA) where: Base-Base interactions energy: -1476.718 where: short stacking energy: -696.713 Base-Backbone interact. energy: -0.361 local terms energy: -714.161980 where: bonds (distance) C4'-P energy: -159.429 bonds (distance) P-C4' energy: -131.905 flat angles C4'-P-C4' energy: -167.020 flat angles P-C4'-P energy: -76.677 tors. eta vs tors. theta energy: -179.130 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: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1911.656213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.656213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.656213 (E_RNA) where: Base-Base interactions energy: -1207.879 where: short stacking energy: -539.061 Base-Backbone interact. energy: -2.282 local terms energy: -701.495609 where: bonds (distance) C4'-P energy: -146.245 bonds (distance) P-C4' energy: -175.506 flat angles C4'-P-C4' energy: -154.411 flat angles P-C4'-P energy: -101.089 tors. eta vs tors. theta energy: -124.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1287.770178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.770178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.770178 (E_RNA) where: Base-Base interactions energy: -713.288 where: short stacking energy: -351.030 Base-Backbone interact. energy: -5.125 local terms energy: -569.357148 where: bonds (distance) C4'-P energy: -162.198 bonds (distance) P-C4' energy: -145.065 flat angles C4'-P-C4' energy: -126.975 flat angles P-C4'-P energy: -100.123 tors. eta vs tors. theta energy: -34.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -876.630180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.630180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.630180 (E_RNA) where: Base-Base interactions energy: -400.289 where: short stacking energy: -237.746 Base-Backbone interact. energy: 0.347 local terms energy: -476.687673 where: bonds (distance) C4'-P energy: -142.021 bonds (distance) P-C4' energy: -145.931 flat angles C4'-P-C4' energy: -133.170 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: 27.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -813.239981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.239981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.239981 (E_RNA) where: Base-Base interactions energy: -342.784 where: short stacking energy: -208.334 Base-Backbone interact. energy: 8.312 local terms energy: -478.768335 where: bonds (distance) C4'-P energy: -135.735 bonds (distance) P-C4' energy: -162.343 flat angles C4'-P-C4' energy: -135.376 flat angles P-C4'-P energy: -77.777 tors. eta vs tors. theta energy: 32.462 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: 359 Temperature: 0.900000 Total energy: -3093.863131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.863131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.863131 (E_RNA) where: Base-Base interactions energy: -2126.713 where: short stacking energy: -901.951 Base-Backbone interact. energy: -4.970 local terms energy: -962.180342 where: bonds (distance) C4'-P energy: -192.829 bonds (distance) P-C4' energy: -176.932 flat angles C4'-P-C4' energy: -206.848 flat angles P-C4'-P energy: -129.290 tors. eta vs tors. theta energy: -256.282 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: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2973.092341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.092341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.092341 (E_RNA) where: Base-Base interactions energy: -2027.452 where: short stacking energy: -874.117 Base-Backbone interact. energy: 0.123 local terms energy: -945.763399 where: bonds (distance) C4'-P energy: -187.427 bonds (distance) P-C4' energy: -161.075 flat angles C4'-P-C4' energy: -201.253 flat angles P-C4'-P energy: -126.131 tors. eta vs tors. theta energy: -269.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2778.672103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.672103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.672103 (E_RNA) where: Base-Base interactions energy: -1894.903 where: short stacking energy: -813.628 Base-Backbone interact. energy: 2.720 local terms energy: -886.488393 where: bonds (distance) C4'-P energy: -160.748 bonds (distance) P-C4' energy: -183.864 flat angles C4'-P-C4' energy: -187.406 flat angles P-C4'-P energy: -120.342 tors. eta vs tors. theta energy: -234.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2609.260687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.260687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.260687 (E_RNA) where: Base-Base interactions energy: -1745.232 where: short stacking energy: -744.587 Base-Backbone interact. energy: -0.832 local terms energy: -863.196717 where: bonds (distance) C4'-P energy: -164.522 bonds (distance) P-C4' energy: -157.920 flat angles C4'-P-C4' energy: -184.910 flat angles P-C4'-P energy: -124.931 tors. eta vs tors. theta energy: -230.914 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: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2413.785277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.785277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.785277 (E_RNA) where: Base-Base interactions energy: -1599.127 where: short stacking energy: -711.352 Base-Backbone interact. energy: -3.275 local terms energy: -811.382577 where: bonds (distance) C4'-P energy: -159.361 bonds (distance) P-C4' energy: -183.948 flat angles C4'-P-C4' energy: -180.546 flat angles P-C4'-P energy: -104.002 tors. eta vs tors. theta energy: -183.525 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: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2276.613120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.613120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.613120 (E_RNA) where: Base-Base interactions energy: -1512.585 where: short stacking energy: -652.291 Base-Backbone interact. energy: 2.823 local terms energy: -766.851323 where: bonds (distance) C4'-P energy: -160.664 bonds (distance) P-C4' energy: -162.562 flat angles C4'-P-C4' energy: -172.237 flat angles P-C4'-P energy: -114.329 tors. eta vs tors. theta energy: -157.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1951.398266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.398266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.398266 (E_RNA) where: Base-Base interactions energy: -1248.364 where: short stacking energy: -533.854 Base-Backbone interact. energy: -4.440 local terms energy: -698.594084 where: bonds (distance) C4'-P energy: -159.603 bonds (distance) P-C4' energy: -153.459 flat angles C4'-P-C4' energy: -157.909 flat angles P-C4'-P energy: -92.402 tors. eta vs tors. theta energy: -135.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1247.282449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.282449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.282449 (E_RNA) where: Base-Base interactions energy: -652.211 where: short stacking energy: -343.510 Base-Backbone interact. energy: -0.084 local terms energy: -594.987750 where: bonds (distance) C4'-P energy: -149.375 bonds (distance) P-C4' energy: -164.251 flat angles C4'-P-C4' energy: -151.232 flat angles P-C4'-P energy: -107.072 tors. eta vs tors. theta energy: -23.057 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: 359 Temperature: 1.300000 Total energy: -950.328574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.328574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.328574 (E_RNA) where: Base-Base interactions energy: -458.319 where: short stacking energy: -255.838 Base-Backbone interact. energy: -0.057 local terms energy: -491.952376 where: bonds (distance) C4'-P energy: -157.766 bonds (distance) P-C4' energy: -167.889 flat angles C4'-P-C4' energy: -133.144 flat angles P-C4'-P energy: -49.264 tors. eta vs tors. theta energy: 16.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -819.805392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.805392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.805392 (E_RNA) where: Base-Base interactions energy: -359.853 where: short stacking energy: -221.902 Base-Backbone interact. energy: 7.287 local terms energy: -467.239126 where: bonds (distance) C4'-P energy: -121.850 bonds (distance) P-C4' energy: -144.751 flat angles C4'-P-C4' energy: -138.407 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: 22.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3048.378932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.378932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.378932 (E_RNA) where: Base-Base interactions energy: -2126.719 where: short stacking energy: -912.033 Base-Backbone interact. energy: -1.570 local terms energy: -920.090306 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -208.120 flat angles P-C4'-P energy: -136.222 tors. eta vs tors. theta energy: -253.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3002.701720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.701720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.701720 (E_RNA) where: Base-Base interactions energy: -2052.796 where: short stacking energy: -889.076 Base-Backbone interact. energy: -0.101 local terms energy: -949.803977 where: bonds (distance) C4'-P energy: -162.695 bonds (distance) P-C4' energy: -177.921 flat angles C4'-P-C4' energy: -206.168 flat angles P-C4'-P energy: -128.781 tors. eta vs tors. theta energy: -274.239 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: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2793.987860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.987860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.987860 (E_RNA) where: Base-Base interactions energy: -1898.075 where: short stacking energy: -793.329 Base-Backbone interact. energy: -3.483 local terms energy: -892.429876 where: bonds (distance) C4'-P energy: -178.742 bonds (distance) P-C4' energy: -175.504 flat angles C4'-P-C4' energy: -192.109 flat angles P-C4'-P energy: -117.944 tors. eta vs tors. theta energy: -228.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2629.295144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.295144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.295144 (E_RNA) where: Base-Base interactions energy: -1766.298 where: short stacking energy: -761.230 Base-Backbone interact. energy: 2.623 local terms energy: -865.619858 where: bonds (distance) C4'-P energy: -166.267 bonds (distance) P-C4' energy: -175.978 flat angles C4'-P-C4' energy: -175.254 flat angles P-C4'-P energy: -114.075 tors. eta vs tors. theta energy: -234.046 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: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2379.568005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.568005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.568005 (E_RNA) where: Base-Base interactions energy: -1599.138 where: short stacking energy: -738.602 Base-Backbone interact. energy: -0.397 local terms energy: -780.033398 where: bonds (distance) C4'-P energy: -159.816 bonds (distance) P-C4' energy: -149.361 flat angles C4'-P-C4' energy: -158.911 flat angles P-C4'-P energy: -105.540 tors. eta vs tors. theta energy: -206.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2261.682044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.682044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.682044 (E_RNA) where: Base-Base interactions energy: -1517.605 where: short stacking energy: -659.037 Base-Backbone interact. energy: 0.023 local terms energy: -744.100304 where: bonds (distance) C4'-P energy: -143.951 bonds (distance) P-C4' energy: -154.462 flat angles C4'-P-C4' energy: -165.248 flat angles P-C4'-P energy: -102.063 tors. eta vs tors. theta energy: -178.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1928.437382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.437382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.437382 (E_RNA) where: Base-Base interactions energy: -1224.147 where: short stacking energy: -536.332 Base-Backbone interact. energy: -1.742 local terms energy: -702.548068 where: bonds (distance) C4'-P energy: -145.604 bonds (distance) P-C4' energy: -163.105 flat angles C4'-P-C4' energy: -172.515 flat angles P-C4'-P energy: -111.498 tors. eta vs tors. theta energy: -109.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1293.578449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.578449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.578449 (E_RNA) where: Base-Base interactions energy: -718.309 where: short stacking energy: -390.865 Base-Backbone interact. energy: -4.184 local terms energy: -571.086035 where: bonds (distance) C4'-P energy: -152.691 bonds (distance) P-C4' energy: -153.935 flat angles C4'-P-C4' energy: -152.338 flat angles P-C4'-P energy: -78.437 tors. eta vs tors. theta energy: -33.686 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: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -888.430255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.430255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.430255 (E_RNA) where: Base-Base interactions energy: -382.332 where: short stacking energy: -187.314 Base-Backbone interact. energy: 3.261 local terms energy: -509.358511 where: bonds (distance) C4'-P energy: -168.834 bonds (distance) P-C4' energy: -167.691 flat angles C4'-P-C4' energy: -133.631 flat angles P-C4'-P energy: -65.108 tors. eta vs tors. theta energy: 25.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -841.317011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.317011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.317011 (E_RNA) where: Base-Base interactions energy: -362.189 where: short stacking energy: -234.528 Base-Backbone interact. energy: -2.945 local terms energy: -476.183114 where: bonds (distance) C4'-P energy: -137.417 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -126.451 flat angles P-C4'-P energy: -63.945 tors. eta vs tors. theta energy: 4.632 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: 361 Temperature: 0.900000 Total energy: -3055.358836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.358836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.358836 (E_RNA) where: Base-Base interactions energy: -2069.170 where: short stacking energy: -884.912 Base-Backbone interact. energy: -5.951 local terms energy: -980.238805 where: bonds (distance) C4'-P energy: -186.654 bonds (distance) P-C4' energy: -189.079 flat angles C4'-P-C4' energy: -209.180 flat angles P-C4'-P energy: -152.878 tors. eta vs tors. theta energy: -242.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3000.160779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.160779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.160779 (E_RNA) where: Base-Base interactions energy: -2047.151 where: short stacking energy: -882.698 Base-Backbone interact. energy: -4.528 local terms energy: -948.482052 where: bonds (distance) C4'-P energy: -167.315 bonds (distance) P-C4' energy: -171.701 flat angles C4'-P-C4' energy: -201.110 flat angles P-C4'-P energy: -139.341 tors. eta vs tors. theta energy: -269.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2757.518200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.518200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.518200 (E_RNA) where: Base-Base interactions energy: -1857.898 where: short stacking energy: -801.146 Base-Backbone interact. energy: -4.937 local terms energy: -894.682623 where: bonds (distance) C4'-P energy: -152.498 bonds (distance) P-C4' energy: -192.035 flat angles C4'-P-C4' energy: -198.483 flat angles P-C4'-P energy: -123.950 tors. eta vs tors. theta energy: -227.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2637.971834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.971834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.971834 (E_RNA) where: Base-Base interactions energy: -1773.092 where: short stacking energy: -783.263 Base-Backbone interact. energy: 1.917 local terms energy: -866.797420 where: bonds (distance) C4'-P energy: -153.348 bonds (distance) P-C4' energy: -172.926 flat angles C4'-P-C4' energy: -195.357 flat angles P-C4'-P energy: -123.406 tors. eta vs tors. theta energy: -221.760 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: 5, replica: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2406.546575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.546575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.546575 (E_RNA) where: Base-Base interactions energy: -1612.208 where: short stacking energy: -739.733 Base-Backbone interact. energy: -2.149 local terms energy: -792.189312 where: bonds (distance) C4'-P energy: -130.174 bonds (distance) P-C4' energy: -190.574 flat angles C4'-P-C4' energy: -189.523 flat angles P-C4'-P energy: -86.137 tors. eta vs tors. theta energy: -195.781 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: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2260.319066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.319066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.319066 (E_RNA) where: Base-Base interactions energy: -1486.400 where: short stacking energy: -677.542 Base-Backbone interact. energy: -0.420 local terms energy: -773.498725 where: bonds (distance) C4'-P energy: -157.455 bonds (distance) P-C4' energy: -155.654 flat angles C4'-P-C4' energy: -181.033 flat angles P-C4'-P energy: -109.789 tors. eta vs tors. theta energy: -169.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1844.995255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.995255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.995255 (E_RNA) where: Base-Base interactions energy: -1171.019 where: short stacking energy: -494.962 Base-Backbone interact. energy: 0.433 local terms energy: -674.409635 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -156.379 flat angles C4'-P-C4' energy: -159.804 flat angles P-C4'-P energy: -103.806 tors. eta vs tors. theta energy: -118.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1262.345077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.345077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.345077 (E_RNA) where: Base-Base interactions energy: -702.135 where: short stacking energy: -343.134 Base-Backbone interact. energy: -2.561 local terms energy: -557.649414 where: bonds (distance) C4'-P energy: -135.669 bonds (distance) P-C4' energy: -166.268 flat angles C4'-P-C4' energy: -130.490 flat angles P-C4'-P energy: -83.303 tors. eta vs tors. theta energy: -41.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -829.488688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.488688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.488688 (E_RNA) where: Base-Base interactions energy: -371.742 where: short stacking energy: -247.653 Base-Backbone interact. energy: 4.337 local terms energy: -462.083597 where: bonds (distance) C4'-P energy: -153.930 bonds (distance) P-C4' energy: -143.241 flat angles C4'-P-C4' energy: -133.630 flat angles P-C4'-P energy: -67.382 tors. eta vs tors. theta energy: 36.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -785.631550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.631550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.631550 (E_RNA) where: Base-Base interactions energy: -290.842 where: short stacking energy: -167.056 Base-Backbone interact. energy: 0.904 local terms energy: -495.693600 where: bonds (distance) C4'-P energy: -154.117 bonds (distance) P-C4' energy: -168.203 flat angles C4'-P-C4' energy: -118.307 flat angles P-C4'-P energy: -91.871 tors. eta vs tors. theta energy: 36.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3073.955339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.955339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.955339 (E_RNA) where: Base-Base interactions energy: -2102.196 where: short stacking energy: -892.097 Base-Backbone interact. energy: -4.385 local terms energy: -967.374488 where: bonds (distance) C4'-P energy: -182.057 bonds (distance) P-C4' energy: -190.749 flat angles C4'-P-C4' energy: -208.783 flat angles P-C4'-P energy: -142.659 tors. eta vs tors. theta energy: -243.127 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: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3043.104050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.104050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.104050 (E_RNA) where: Base-Base interactions energy: -2074.440 where: short stacking energy: -899.542 Base-Backbone interact. energy: -3.926 local terms energy: -964.737798 where: bonds (distance) C4'-P energy: -172.731 bonds (distance) P-C4' energy: -174.981 flat angles C4'-P-C4' energy: -208.717 flat angles P-C4'-P energy: -130.046 tors. eta vs tors. theta energy: -278.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2774.327702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.327702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.327702 (E_RNA) where: Base-Base interactions energy: -1852.692 where: short stacking energy: -829.223 Base-Backbone interact. energy: -3.383 local terms energy: -918.252497 where: bonds (distance) C4'-P energy: -167.108 bonds (distance) P-C4' energy: -195.647 flat angles C4'-P-C4' energy: -186.694 flat angles P-C4'-P energy: -135.990 tors. eta vs tors. theta energy: -232.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2562.826053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.826053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.826053 (E_RNA) where: Base-Base interactions energy: -1686.054 where: short stacking energy: -737.809 Base-Backbone interact. energy: 3.570 local terms energy: -880.342244 where: bonds (distance) C4'-P energy: -168.936 bonds (distance) P-C4' energy: -179.932 flat angles C4'-P-C4' energy: -186.831 flat angles P-C4'-P energy: -129.701 tors. eta vs tors. theta energy: -214.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2456.999921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.999921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.999921 (E_RNA) where: Base-Base interactions energy: -1657.541 where: short stacking energy: -729.298 Base-Backbone interact. energy: -4.406 local terms energy: -795.052374 where: bonds (distance) C4'-P energy: -144.117 bonds (distance) P-C4' energy: -153.244 flat angles C4'-P-C4' energy: -170.377 flat angles P-C4'-P energy: -109.774 tors. eta vs tors. theta energy: -217.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2333.065273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.065273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.065273 (E_RNA) where: Base-Base interactions energy: -1571.563 where: short stacking energy: -719.738 Base-Backbone interact. energy: -1.641 local terms energy: -759.860837 where: bonds (distance) C4'-P energy: -129.250 bonds (distance) P-C4' energy: -145.622 flat angles C4'-P-C4' energy: -184.251 flat angles P-C4'-P energy: -116.041 tors. eta vs tors. theta energy: -184.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1785.829557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.829557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.829557 (E_RNA) where: Base-Base interactions energy: -1124.037 where: short stacking energy: -494.944 Base-Backbone interact. energy: -1.719 local terms energy: -660.073628 where: bonds (distance) C4'-P energy: -148.500 bonds (distance) P-C4' energy: -159.849 flat angles C4'-P-C4' energy: -147.246 flat angles P-C4'-P energy: -120.609 tors. eta vs tors. theta energy: -83.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1269.538932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.538932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.538932 (E_RNA) where: Base-Base interactions energy: -691.903 where: short stacking energy: -325.587 Base-Backbone interact. energy: -3.652 local terms energy: -573.984372 where: bonds (distance) C4'-P energy: -150.436 bonds (distance) P-C4' energy: -158.208 flat angles C4'-P-C4' energy: -153.051 flat angles P-C4'-P energy: -92.787 tors. eta vs tors. theta energy: -19.502 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: 362 Temperature: 1.300000 Total energy: -788.765658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.765658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.765658 (E_RNA) where: Base-Base interactions energy: -343.023 where: short stacking energy: -220.477 Base-Backbone interact. energy: -0.428 local terms energy: -445.314231 where: bonds (distance) C4'-P energy: -153.925 bonds (distance) P-C4' energy: -136.038 flat angles C4'-P-C4' energy: -126.592 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: 45.651 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: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -743.321709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.321709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.321709 (E_RNA) where: Base-Base interactions energy: -280.027 where: short stacking energy: -204.754 Base-Backbone interact. energy: 0.661 local terms energy: -463.956387 where: bonds (distance) C4'-P energy: -142.670 bonds (distance) P-C4' energy: -140.547 flat angles C4'-P-C4' energy: -132.561 flat angles P-C4'-P energy: -67.915 tors. eta vs tors. theta energy: 19.738 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: 363 Temperature: 0.900000 Total energy: -3068.311177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.311177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.311177 (E_RNA) where: Base-Base interactions energy: -2126.265 where: short stacking energy: -894.029 Base-Backbone interact. energy: -3.405 local terms energy: -938.640943 where: bonds (distance) C4'-P energy: -176.300 bonds (distance) P-C4' energy: -170.138 flat angles C4'-P-C4' energy: -191.464 flat angles P-C4'-P energy: -141.570 tors. eta vs tors. theta energy: -259.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2972.371714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.371714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.371714 (E_RNA) where: Base-Base interactions energy: -2022.991 where: short stacking energy: -880.451 Base-Backbone interact. energy: 5.613 local terms energy: -954.994573 where: bonds (distance) C4'-P energy: -171.870 bonds (distance) P-C4' energy: -181.076 flat angles C4'-P-C4' energy: -213.922 flat angles P-C4'-P energy: -124.336 tors. eta vs tors. theta energy: -263.792 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: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2749.313872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.313872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.313872 (E_RNA) where: Base-Base interactions energy: -1871.420 where: short stacking energy: -814.300 Base-Backbone interact. energy: 1.305 local terms energy: -879.198992 where: bonds (distance) C4'-P energy: -177.339 bonds (distance) P-C4' energy: -161.726 flat angles C4'-P-C4' energy: -187.171 flat angles P-C4'-P energy: -118.477 tors. eta vs tors. theta energy: -234.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2567.969425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.969425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.969425 (E_RNA) where: Base-Base interactions energy: -1684.789 where: short stacking energy: -752.974 Base-Backbone interact. energy: -2.919 local terms energy: -880.261028 where: bonds (distance) C4'-P energy: -164.893 bonds (distance) P-C4' energy: -183.559 flat angles C4'-P-C4' energy: -179.004 flat angles P-C4'-P energy: -132.788 tors. eta vs tors. theta energy: -220.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2405.541705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.541705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.541705 (E_RNA) where: Base-Base interactions energy: -1591.791 where: short stacking energy: -679.408 Base-Backbone interact. energy: -0.637 local terms energy: -813.113219 where: bonds (distance) C4'-P energy: -163.480 bonds (distance) P-C4' energy: -170.533 flat angles C4'-P-C4' energy: -192.052 flat angles P-C4'-P energy: -101.715 tors. eta vs tors. theta energy: -185.334 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: 363 Temperature: 1.150000 Total energy: -2267.497431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.497431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.497431 (E_RNA) where: Base-Base interactions energy: -1519.960 where: short stacking energy: -674.181 Base-Backbone interact. energy: -2.711 local terms energy: -744.826673 where: bonds (distance) C4'-P energy: -165.222 bonds (distance) P-C4' energy: -148.423 flat angles C4'-P-C4' energy: -159.834 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -163.329 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: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1800.973677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.973677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.973677 (E_RNA) where: Base-Base interactions energy: -1135.690 where: short stacking energy: -493.433 Base-Backbone interact. energy: 2.016 local terms energy: -667.299589 where: bonds (distance) C4'-P energy: -148.391 bonds (distance) P-C4' energy: -154.689 flat angles C4'-P-C4' energy: -152.210 flat angles P-C4'-P energy: -105.374 tors. eta vs tors. theta energy: -106.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1291.439531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.439531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.439531 (E_RNA) where: Base-Base interactions energy: -729.912 where: short stacking energy: -339.497 Base-Backbone interact. energy: -1.141 local terms energy: -560.386510 where: bonds (distance) C4'-P energy: -142.885 bonds (distance) P-C4' energy: -149.531 flat angles C4'-P-C4' energy: -143.192 flat angles P-C4'-P energy: -82.138 tors. eta vs tors. theta energy: -42.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -790.626773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.626773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.626773 (E_RNA) where: Base-Base interactions energy: -301.406 where: short stacking energy: -217.090 Base-Backbone interact. energy: 1.912 local terms energy: -491.133015 where: bonds (distance) C4'-P energy: -127.203 bonds (distance) P-C4' energy: -165.097 flat angles C4'-P-C4' energy: -143.582 flat angles P-C4'-P energy: -74.674 tors. eta vs tors. theta energy: 19.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -750.336006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.336006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.336006 (E_RNA) where: Base-Base interactions energy: -313.962 where: short stacking energy: -221.032 Base-Backbone interact. energy: 0.368 local terms energy: -436.742558 where: bonds (distance) C4'-P energy: -132.097 bonds (distance) P-C4' energy: -135.566 flat angles C4'-P-C4' energy: -125.867 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: 12.690 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: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3094.004091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.004091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.004091 (E_RNA) where: Base-Base interactions energy: -2131.277 where: short stacking energy: -890.664 Base-Backbone interact. energy: -3.750 local terms energy: -958.977382 where: bonds (distance) C4'-P energy: -162.311 bonds (distance) P-C4' energy: -195.339 flat angles C4'-P-C4' energy: -201.672 flat angles P-C4'-P energy: -137.163 tors. eta vs tors. theta energy: -262.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3021.269343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.269343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.269343 (E_RNA) where: Base-Base interactions energy: -2053.966 where: short stacking energy: -901.260 Base-Backbone interact. energy: -2.105 local terms energy: -965.198620 where: bonds (distance) C4'-P energy: -175.462 bonds (distance) P-C4' energy: -182.147 flat angles C4'-P-C4' energy: -204.801 flat angles P-C4'-P energy: -129.042 tors. eta vs tors. theta energy: -273.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2744.950173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.950173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.950173 (E_RNA) where: Base-Base interactions energy: -1857.473 where: short stacking energy: -841.246 Base-Backbone interact. energy: -3.430 local terms energy: -884.047013 where: bonds (distance) C4'-P energy: -166.256 bonds (distance) P-C4' energy: -161.637 flat angles C4'-P-C4' energy: -189.132 flat angles P-C4'-P energy: -125.748 tors. eta vs tors. theta energy: -241.273 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: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2594.950367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.950367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.950367 (E_RNA) where: Base-Base interactions energy: -1709.593 where: short stacking energy: -744.619 Base-Backbone interact. energy: -3.728 local terms energy: -881.629293 where: bonds (distance) C4'-P energy: -163.640 bonds (distance) P-C4' energy: -151.859 flat angles C4'-P-C4' energy: -206.941 flat angles P-C4'-P energy: -129.123 tors. eta vs tors. theta energy: -230.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2398.276571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.276571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.276571 (E_RNA) where: Base-Base interactions energy: -1590.292 where: short stacking energy: -673.398 Base-Backbone interact. energy: -4.219 local terms energy: -803.766070 where: bonds (distance) C4'-P energy: -159.048 bonds (distance) P-C4' energy: -160.328 flat angles C4'-P-C4' energy: -185.208 flat angles P-C4'-P energy: -113.975 tors. eta vs tors. theta energy: -185.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2164.312907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.312907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.312907 (E_RNA) where: Base-Base interactions energy: -1417.129 where: short stacking energy: -636.286 Base-Backbone interact. energy: -1.499 local terms energy: -745.684941 where: bonds (distance) C4'-P energy: -155.550 bonds (distance) P-C4' energy: -154.420 flat angles C4'-P-C4' energy: -159.701 flat angles P-C4'-P energy: -116.081 tors. eta vs tors. theta energy: -159.933 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: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1768.432622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.432622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.432622 (E_RNA) where: Base-Base interactions energy: -1142.256 where: short stacking energy: -522.747 Base-Backbone interact. energy: -3.723 local terms energy: -622.454296 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -155.804 flat angles C4'-P-C4' energy: -149.052 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -98.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1262.671374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.671374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.671374 (E_RNA) where: Base-Base interactions energy: -710.625 where: short stacking energy: -350.072 Base-Backbone interact. energy: 1.172 local terms energy: -553.217977 where: bonds (distance) C4'-P energy: -141.261 bonds (distance) P-C4' energy: -145.064 flat angles C4'-P-C4' energy: -143.394 flat angles P-C4'-P energy: -102.274 tors. eta vs tors. theta energy: -21.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -792.114182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.114182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.114182 (E_RNA) where: Base-Base interactions energy: -329.216 where: short stacking energy: -252.370 Base-Backbone interact. energy: 1.230 local terms energy: -464.128245 where: bonds (distance) C4'-P energy: -151.327 bonds (distance) P-C4' energy: -135.430 flat angles C4'-P-C4' energy: -128.168 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: 30.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -734.088410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.088410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.088410 (E_RNA) where: Base-Base interactions energy: -300.640 where: short stacking energy: -209.743 Base-Backbone interact. energy: 0.492 local terms energy: -433.940221 where: bonds (distance) C4'-P energy: -125.013 bonds (distance) P-C4' energy: -149.889 flat angles C4'-P-C4' energy: -105.693 flat angles P-C4'-P energy: -78.280 tors. eta vs tors. theta energy: 24.934 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: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3070.914622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.914622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.914622 (E_RNA) where: Base-Base interactions energy: -2128.703 where: short stacking energy: -877.543 Base-Backbone interact. energy: 7.016 local terms energy: -949.227586 where: bonds (distance) C4'-P energy: -178.940 bonds (distance) P-C4' energy: -182.339 flat angles C4'-P-C4' energy: -208.496 flat angles P-C4'-P energy: -130.607 tors. eta vs tors. theta energy: -248.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3006.510053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.510053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.510053 (E_RNA) where: Base-Base interactions energy: -2033.721 where: short stacking energy: -903.806 Base-Backbone interact. energy: -0.920 local terms energy: -971.869119 where: bonds (distance) C4'-P energy: -192.989 bonds (distance) P-C4' energy: -158.636 flat angles C4'-P-C4' energy: -208.879 flat angles P-C4'-P energy: -147.039 tors. eta vs tors. theta energy: -264.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2755.461297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.461297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.461297 (E_RNA) where: Base-Base interactions energy: -1883.381 where: short stacking energy: -819.084 Base-Backbone interact. energy: 5.054 local terms energy: -877.133700 where: bonds (distance) C4'-P energy: -176.920 bonds (distance) P-C4' energy: -166.087 flat angles C4'-P-C4' energy: -189.623 flat angles P-C4'-P energy: -115.201 tors. eta vs tors. theta energy: -229.303 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: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2584.014248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.014248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.014248 (E_RNA) where: Base-Base interactions energy: -1720.990 where: short stacking energy: -796.539 Base-Backbone interact. energy: -0.856 local terms energy: -862.167680 where: bonds (distance) C4'-P energy: -164.350 bonds (distance) P-C4' energy: -158.604 flat angles C4'-P-C4' energy: -196.665 flat angles P-C4'-P energy: -120.736 tors. eta vs tors. theta energy: -221.813 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: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2429.731530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.731530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.731530 (E_RNA) where: Base-Base interactions energy: -1628.223 where: short stacking energy: -701.514 Base-Backbone interact. energy: 3.522 local terms energy: -805.030812 where: bonds (distance) C4'-P energy: -156.311 bonds (distance) P-C4' energy: -165.333 flat angles C4'-P-C4' energy: -179.286 flat angles P-C4'-P energy: -118.016 tors. eta vs tors. theta energy: -186.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2237.124508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.124508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.124508 (E_RNA) where: Base-Base interactions energy: -1478.844 where: short stacking energy: -648.992 Base-Backbone interact. energy: -2.909 local terms energy: -755.371659 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -152.425 flat angles C4'-P-C4' energy: -186.707 flat angles P-C4'-P energy: -101.235 tors. eta vs tors. theta energy: -167.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1808.087587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.087587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.087587 (E_RNA) where: Base-Base interactions energy: -1149.734 where: short stacking energy: -505.094 Base-Backbone interact. energy: -2.852 local terms energy: -655.501143 where: bonds (distance) C4'-P energy: -154.390 bonds (distance) P-C4' energy: -153.870 flat angles C4'-P-C4' energy: -150.035 flat angles P-C4'-P energy: -98.671 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: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1301.496814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.496814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.496814 (E_RNA) where: Base-Base interactions energy: -721.302 where: short stacking energy: -367.188 Base-Backbone interact. energy: 2.533 local terms energy: -582.727931 where: bonds (distance) C4'-P energy: -145.267 bonds (distance) P-C4' energy: -169.080 flat angles C4'-P-C4' energy: -143.391 flat angles P-C4'-P energy: -76.469 tors. eta vs tors. theta energy: -48.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -835.410533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.410533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.410533 (E_RNA) where: Base-Base interactions energy: -347.198 where: short stacking energy: -220.397 Base-Backbone interact. energy: 7.966 local terms energy: -496.178267 where: bonds (distance) C4'-P energy: -139.813 bonds (distance) P-C4' energy: -155.138 flat angles C4'-P-C4' energy: -130.635 flat angles P-C4'-P energy: -72.032 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: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -734.206129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.206129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.206129 (E_RNA) where: Base-Base interactions energy: -300.982 where: short stacking energy: -200.726 Base-Backbone interact. energy: 8.429 local terms energy: -441.652473 where: bonds (distance) C4'-P energy: -131.136 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -107.003 flat angles P-C4'-P energy: -83.615 tors. eta vs tors. theta energy: 31.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3050.891433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.891433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.891433 (E_RNA) where: Base-Base interactions energy: -2138.041 where: short stacking energy: -884.887 Base-Backbone interact. energy: -2.236 local terms energy: -910.614876 where: bonds (distance) C4'-P energy: -166.411 bonds (distance) P-C4' energy: -166.319 flat angles C4'-P-C4' energy: -209.955 flat angles P-C4'-P energy: -133.176 tors. eta vs tors. theta energy: -234.754 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: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2939.971173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.971173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.971173 (E_RNA) where: Base-Base interactions energy: -1985.365 where: short stacking energy: -848.687 Base-Backbone interact. energy: 2.277 local terms energy: -956.883794 where: bonds (distance) C4'-P energy: -182.897 bonds (distance) P-C4' energy: -179.134 flat angles C4'-P-C4' energy: -204.103 flat angles P-C4'-P energy: -136.079 tors. eta vs tors. theta energy: -254.670 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: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2750.062794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.062794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.062794 (E_RNA) where: Base-Base interactions energy: -1868.584 where: short stacking energy: -809.735 Base-Backbone interact. energy: -5.472 local terms energy: -876.006780 where: bonds (distance) C4'-P energy: -150.536 bonds (distance) P-C4' energy: -174.368 flat angles C4'-P-C4' energy: -192.408 flat angles P-C4'-P energy: -141.117 tors. eta vs tors. theta energy: -217.577 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: 366 Temperature: 1.050000 Total energy: -2637.118842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.118842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.118842 (E_RNA) where: Base-Base interactions energy: -1775.784 where: short stacking energy: -774.951 Base-Backbone interact. energy: -2.100 local terms energy: -859.234078 where: bonds (distance) C4'-P energy: -171.188 bonds (distance) P-C4' energy: -153.432 flat angles C4'-P-C4' energy: -178.181 flat angles P-C4'-P energy: -131.257 tors. eta vs tors. theta energy: -225.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2348.638439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.638439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.638439 (E_RNA) where: Base-Base interactions energy: -1564.610 where: short stacking energy: -657.407 Base-Backbone interact. energy: -0.352 local terms energy: -783.675942 where: bonds (distance) C4'-P energy: -170.409 bonds (distance) P-C4' energy: -162.056 flat angles C4'-P-C4' energy: -178.345 flat angles P-C4'-P energy: -114.496 tors. eta vs tors. theta energy: -158.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2251.962879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.962879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.962879 (E_RNA) where: Base-Base interactions energy: -1481.207 where: short stacking energy: -694.703 Base-Backbone interact. energy: -0.558 local terms energy: -770.197455 where: bonds (distance) C4'-P energy: -161.328 bonds (distance) P-C4' energy: -147.015 flat angles C4'-P-C4' energy: -171.913 flat angles P-C4'-P energy: -116.502 tors. eta vs tors. theta energy: -173.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1700.081338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.081338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.081338 (E_RNA) where: Base-Base interactions energy: -1066.682 where: short stacking energy: -491.978 Base-Backbone interact. energy: -1.887 local terms energy: -631.511693 where: bonds (distance) C4'-P energy: -148.728 bonds (distance) P-C4' energy: -159.818 flat angles C4'-P-C4' energy: -150.488 flat angles P-C4'-P energy: -77.087 tors. eta vs tors. theta energy: -95.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1254.954939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.954939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.954939 (E_RNA) where: Base-Base interactions energy: -662.427 where: short stacking energy: -318.992 Base-Backbone interact. energy: -0.270 local terms energy: -592.258111 where: bonds (distance) C4'-P energy: -144.666 bonds (distance) P-C4' energy: -172.922 flat angles C4'-P-C4' energy: -175.175 flat angles P-C4'-P energy: -85.907 tors. eta vs tors. theta energy: -13.588 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: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -788.097753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.097753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.097753 (E_RNA) where: Base-Base interactions energy: -358.753 where: short stacking energy: -235.211 Base-Backbone interact. energy: 0.463 local terms energy: -429.807692 where: bonds (distance) C4'-P energy: -127.672 bonds (distance) P-C4' energy: -143.929 flat angles C4'-P-C4' energy: -117.926 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: 29.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -740.399550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.399550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.399550 (E_RNA) where: Base-Base interactions energy: -280.372 where: short stacking energy: -192.605 Base-Backbone interact. energy: -0.111 local terms energy: -459.916457 where: bonds (distance) C4'-P energy: -151.371 bonds (distance) P-C4' energy: -145.918 flat angles C4'-P-C4' energy: -134.537 flat angles P-C4'-P energy: -65.373 tors. eta vs tors. theta energy: 37.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3071.831024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.831024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.831024 (E_RNA) where: Base-Base interactions energy: -2122.471 where: short stacking energy: -901.699 Base-Backbone interact. energy: -5.973 local terms energy: -943.387877 where: bonds (distance) C4'-P energy: -178.299 bonds (distance) P-C4' energy: -182.244 flat angles C4'-P-C4' energy: -204.862 flat angles P-C4'-P energy: -144.139 tors. eta vs tors. theta energy: -233.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3011.071792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.071792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.071792 (E_RNA) where: Base-Base interactions energy: -2048.613 where: short stacking energy: -878.956 Base-Backbone interact. energy: -5.793 local terms energy: -956.666479 where: bonds (distance) C4'-P energy: -189.505 bonds (distance) P-C4' energy: -153.394 flat angles C4'-P-C4' energy: -207.374 flat angles P-C4'-P energy: -136.841 tors. eta vs tors. theta energy: -269.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2777.528796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.528796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.528796 (E_RNA) where: Base-Base interactions energy: -1895.364 where: short stacking energy: -814.702 Base-Backbone interact. energy: -1.503 local terms energy: -880.661052 where: bonds (distance) C4'-P energy: -174.601 bonds (distance) P-C4' energy: -177.967 flat angles C4'-P-C4' energy: -200.228 flat angles P-C4'-P energy: -101.403 tors. eta vs tors. theta energy: -226.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2600.798189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.798189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.798189 (E_RNA) where: Base-Base interactions energy: -1726.514 where: short stacking energy: -747.287 Base-Backbone interact. energy: -5.806 local terms energy: -868.478423 where: bonds (distance) C4'-P energy: -168.414 bonds (distance) P-C4' energy: -173.110 flat angles C4'-P-C4' energy: -195.115 flat angles P-C4'-P energy: -117.465 tors. eta vs tors. theta energy: -214.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2370.839184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.839184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.839184 (E_RNA) where: Base-Base interactions energy: -1568.835 where: short stacking energy: -681.982 Base-Backbone interact. energy: -1.606 local terms energy: -800.398277 where: bonds (distance) C4'-P energy: -159.261 bonds (distance) P-C4' energy: -154.610 flat angles C4'-P-C4' energy: -178.840 flat angles P-C4'-P energy: -135.119 tors. eta vs tors. theta energy: -172.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2201.894434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.894434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.894434 (E_RNA) where: Base-Base interactions energy: -1408.182 where: short stacking energy: -639.463 Base-Backbone interact. energy: -3.348 local terms energy: -790.363627 where: bonds (distance) C4'-P energy: -180.579 bonds (distance) P-C4' energy: -180.125 flat angles C4'-P-C4' energy: -171.132 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -148.388 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: 367 Temperature: 1.200000 Total energy: -1678.938364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.938364 (E_RNA) where: Base-Base interactions energy: -990.996 where: short stacking energy: -504.220 Base-Backbone interact. energy: 0.234 local terms energy: -688.176996 where: bonds (distance) C4'-P energy: -146.736 bonds (distance) P-C4' energy: -160.631 flat angles C4'-P-C4' energy: -165.776 flat angles P-C4'-P energy: -105.978 tors. eta vs tors. theta energy: -109.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1147.048971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.048971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.048971 (E_RNA) where: Base-Base interactions energy: -599.431 where: short stacking energy: -296.577 Base-Backbone interact. energy: 2.551 local terms energy: -550.169502 where: bonds (distance) C4'-P energy: -147.287 bonds (distance) P-C4' energy: -148.880 flat angles C4'-P-C4' energy: -158.290 flat angles P-C4'-P energy: -82.902 tors. eta vs tors. theta energy: -12.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -849.964066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.964066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.964066 (E_RNA) where: Base-Base interactions energy: -366.927 where: short stacking energy: -226.724 Base-Backbone interact. energy: -0.724 local terms energy: -482.312947 where: bonds (distance) C4'-P energy: -159.463 bonds (distance) P-C4' energy: -135.474 flat angles C4'-P-C4' energy: -123.802 flat angles P-C4'-P energy: -68.973 tors. eta vs tors. theta energy: 5.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -737.639927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.639927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.639927 (E_RNA) where: Base-Base interactions energy: -276.471 where: short stacking energy: -195.833 Base-Backbone interact. energy: 1.883 local terms energy: -463.051471 where: bonds (distance) C4'-P energy: -149.814 bonds (distance) P-C4' energy: -150.585 flat angles C4'-P-C4' energy: -100.749 flat angles P-C4'-P energy: -83.126 tors. eta vs tors. theta energy: 21.222 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3057.269662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.269662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.269662 (E_RNA) where: Base-Base interactions energy: -2086.585 where: short stacking energy: -905.715 Base-Backbone interact. energy: 0.019 local terms energy: -970.702969 where: bonds (distance) C4'-P energy: -175.892 bonds (distance) P-C4' energy: -190.760 flat angles C4'-P-C4' energy: -190.097 flat angles P-C4'-P energy: -139.344 tors. eta vs tors. theta energy: -274.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3025.909344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.909344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.909344 (E_RNA) where: Base-Base interactions energy: -2072.812 where: short stacking energy: -862.921 Base-Backbone interact. energy: -1.417 local terms energy: -951.681176 where: bonds (distance) C4'-P energy: -184.400 bonds (distance) P-C4' energy: -186.076 flat angles C4'-P-C4' energy: -201.854 flat angles P-C4'-P energy: -136.191 tors. eta vs tors. theta energy: -243.160 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: 368 Temperature: 1.000000 Total energy: -2776.989548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.989548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.989548 (E_RNA) where: Base-Base interactions energy: -1890.263 where: short stacking energy: -827.255 Base-Backbone interact. energy: -0.685 local terms energy: -886.042435 where: bonds (distance) C4'-P energy: -165.269 bonds (distance) P-C4' energy: -182.210 flat angles C4'-P-C4' energy: -191.300 flat angles P-C4'-P energy: -119.429 tors. eta vs tors. theta energy: -227.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2602.687046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.687046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.687046 (E_RNA) where: Base-Base interactions energy: -1748.607 where: short stacking energy: -762.303 Base-Backbone interact. energy: -2.261 local terms energy: -851.819298 where: bonds (distance) C4'-P energy: -154.891 bonds (distance) P-C4' energy: -171.777 flat angles C4'-P-C4' energy: -184.234 flat angles P-C4'-P energy: -118.127 tors. eta vs tors. theta energy: -222.789 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: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2334.696325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.696325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.696325 (E_RNA) where: Base-Base interactions energy: -1556.707 where: short stacking energy: -664.053 Base-Backbone interact. energy: -4.061 local terms energy: -773.927749 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -167.710 flat angles C4'-P-C4' energy: -169.202 flat angles P-C4'-P energy: -120.638 tors. eta vs tors. theta energy: -168.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2174.325292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.325292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.325292 (E_RNA) where: Base-Base interactions energy: -1396.580 where: short stacking energy: -617.665 Base-Backbone interact. energy: -1.784 local terms energy: -775.961173 where: bonds (distance) C4'-P energy: -159.291 bonds (distance) P-C4' energy: -169.466 flat angles C4'-P-C4' energy: -183.513 flat angles P-C4'-P energy: -108.225 tors. eta vs tors. theta energy: -155.467 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: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1741.031061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.031061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.031061 (E_RNA) where: Base-Base interactions energy: -1056.758 where: short stacking energy: -488.530 Base-Backbone interact. energy: -1.144 local terms energy: -683.128975 where: bonds (distance) C4'-P energy: -168.554 bonds (distance) P-C4' energy: -153.197 flat angles C4'-P-C4' energy: -157.487 flat angles P-C4'-P energy: -104.459 tors. eta vs tors. theta energy: -99.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1169.767429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.767429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.767429 (E_RNA) where: Base-Base interactions energy: -606.705 where: short stacking energy: -330.555 Base-Backbone interact. energy: 7.245 local terms energy: -570.307259 where: bonds (distance) C4'-P energy: -153.488 bonds (distance) P-C4' energy: -169.883 flat angles C4'-P-C4' energy: -144.216 flat angles P-C4'-P energy: -80.666 tors. eta vs tors. theta energy: -22.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -889.809545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.809545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.809545 (E_RNA) where: Base-Base interactions energy: -376.504 where: short stacking energy: -254.339 Base-Backbone interact. energy: 10.738 local terms energy: -524.042842 where: bonds (distance) C4'-P energy: -159.318 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -141.354 flat angles P-C4'-P energy: -90.783 tors. eta vs tors. theta energy: 10.831 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: 368 Temperature: 1.350000 Total energy: -789.955268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.955268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.955268 (E_RNA) where: Base-Base interactions energy: -330.509 where: short stacking energy: -230.016 Base-Backbone interact. energy: 11.063 local terms energy: -470.509263 where: bonds (distance) C4'-P energy: -149.783 bonds (distance) P-C4' energy: -167.734 flat angles C4'-P-C4' energy: -107.004 flat angles P-C4'-P energy: -65.830 tors. eta vs tors. theta energy: 19.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3049.557095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.557095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.557095 (E_RNA) where: Base-Base interactions energy: -2068.183 where: short stacking energy: -910.480 Base-Backbone interact. energy: -4.013 local terms energy: -977.361434 where: bonds (distance) C4'-P energy: -182.609 bonds (distance) P-C4' energy: -186.377 flat angles C4'-P-C4' energy: -203.744 flat angles P-C4'-P energy: -132.167 tors. eta vs tors. theta energy: -272.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2994.219139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.219139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.219139 (E_RNA) where: Base-Base interactions energy: -2066.850 where: short stacking energy: -866.482 Base-Backbone interact. energy: -4.743 local terms energy: -922.626603 where: bonds (distance) C4'-P energy: -153.125 bonds (distance) P-C4' energy: -180.459 flat angles C4'-P-C4' energy: -203.485 flat angles P-C4'-P energy: -131.593 tors. eta vs tors. theta energy: -253.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2850.357176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.357176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.357176 (E_RNA) where: Base-Base interactions energy: -1919.238 where: short stacking energy: -849.644 Base-Backbone interact. energy: 0.740 local terms energy: -931.859098 where: bonds (distance) C4'-P energy: -170.799 bonds (distance) P-C4' energy: -180.443 flat angles C4'-P-C4' energy: -195.739 flat angles P-C4'-P energy: -137.448 tors. eta vs tors. theta energy: -247.430 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: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2627.947201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.947201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.947201 (E_RNA) where: Base-Base interactions energy: -1750.295 where: short stacking energy: -780.135 Base-Backbone interact. energy: -2.995 local terms energy: -874.656657 where: bonds (distance) C4'-P energy: -161.553 bonds (distance) P-C4' energy: -153.515 flat angles C4'-P-C4' energy: -200.596 flat angles P-C4'-P energy: -120.558 tors. eta vs tors. theta energy: -238.434 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: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2426.267854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.267854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.267854 (E_RNA) where: Base-Base interactions energy: -1606.714 where: short stacking energy: -715.717 Base-Backbone interact. energy: -2.601 local terms energy: -816.952958 where: bonds (distance) C4'-P energy: -166.603 bonds (distance) P-C4' energy: -160.235 flat angles C4'-P-C4' energy: -175.031 flat angles P-C4'-P energy: -117.144 tors. eta vs tors. theta energy: -197.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2219.853212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.853212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.853212 (E_RNA) where: Base-Base interactions energy: -1488.114 where: short stacking energy: -668.753 Base-Backbone interact. energy: -2.874 local terms energy: -728.864548 where: bonds (distance) C4'-P energy: -147.581 bonds (distance) P-C4' energy: -153.720 flat angles C4'-P-C4' energy: -162.843 flat angles P-C4'-P energy: -90.098 tors. eta vs tors. theta energy: -174.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1678.925727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.925727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.925727 (E_RNA) where: Base-Base interactions energy: -1013.947 where: short stacking energy: -452.239 Base-Backbone interact. energy: -4.393 local terms energy: -660.585673 where: bonds (distance) C4'-P energy: -161.148 bonds (distance) P-C4' energy: -189.793 flat angles C4'-P-C4' energy: -154.298 flat angles P-C4'-P energy: -89.903 tors. eta vs tors. theta energy: -65.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1182.973243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.973243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.973243 (E_RNA) where: Base-Base interactions energy: -617.721 where: short stacking energy: -370.254 Base-Backbone interact. energy: 2.062 local terms energy: -567.313988 where: bonds (distance) C4'-P energy: -143.079 bonds (distance) P-C4' energy: -152.554 flat angles C4'-P-C4' energy: -137.140 flat angles P-C4'-P energy: -81.329 tors. eta vs tors. theta energy: -53.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1011.156924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.156924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.156924 (E_RNA) where: Base-Base interactions energy: -492.998 where: short stacking energy: -279.276 Base-Backbone interact. energy: 4.383 local terms energy: -522.541343 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -134.342 flat angles C4'-P-C4' energy: -146.941 flat angles P-C4'-P energy: -88.816 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -746.279280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.279280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.279280 (E_RNA) where: Base-Base interactions energy: -303.050 where: short stacking energy: -177.367 Base-Backbone interact. energy: -0.708 local terms energy: -442.520847 where: bonds (distance) C4'-P energy: -148.452 bonds (distance) P-C4' energy: -140.380 flat angles C4'-P-C4' energy: -115.413 flat angles P-C4'-P energy: -79.328 tors. eta vs tors. theta energy: 41.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3039.456502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.456502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.456502 (E_RNA) where: Base-Base interactions energy: -2084.881 where: short stacking energy: -904.448 Base-Backbone interact. energy: 0.878 local terms energy: -955.452701 where: bonds (distance) C4'-P energy: -171.472 bonds (distance) P-C4' energy: -166.353 flat angles C4'-P-C4' energy: -205.183 flat angles P-C4'-P energy: -139.297 tors. eta vs tors. theta energy: -273.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3001.599053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.599053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.599053 (E_RNA) where: Base-Base interactions energy: -2084.352 where: short stacking energy: -894.342 Base-Backbone interact. energy: -7.903 local terms energy: -909.344453 where: bonds (distance) C4'-P energy: -151.897 bonds (distance) P-C4' energy: -161.716 flat angles C4'-P-C4' energy: -201.768 flat angles P-C4'-P energy: -134.097 tors. eta vs tors. theta energy: -259.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2823.733071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.733071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.733071 (E_RNA) where: Base-Base interactions energy: -1907.559 where: short stacking energy: -843.692 Base-Backbone interact. energy: -2.547 local terms energy: -913.627015 where: bonds (distance) C4'-P energy: -174.517 bonds (distance) P-C4' energy: -185.823 flat angles C4'-P-C4' energy: -177.068 flat angles P-C4'-P energy: -145.706 tors. eta vs tors. theta energy: -230.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2606.508488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.508488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.508488 (E_RNA) where: Base-Base interactions energy: -1741.387 where: short stacking energy: -794.893 Base-Backbone interact. energy: 2.824 local terms energy: -867.945752 where: bonds (distance) C4'-P energy: -168.772 bonds (distance) P-C4' energy: -175.095 flat angles C4'-P-C4' energy: -177.466 flat angles P-C4'-P energy: -134.435 tors. eta vs tors. theta energy: -212.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2451.609654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.609654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.609654 (E_RNA) where: Base-Base interactions energy: -1626.530 where: short stacking energy: -697.483 Base-Backbone interact. energy: -0.500 local terms energy: -824.579933 where: bonds (distance) C4'-P energy: -159.074 bonds (distance) P-C4' energy: -153.910 flat angles C4'-P-C4' energy: -177.530 flat angles P-C4'-P energy: -127.768 tors. eta vs tors. theta energy: -206.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2262.909252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.909252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.909252 (E_RNA) where: Base-Base interactions energy: -1499.809 where: short stacking energy: -665.637 Base-Backbone interact. energy: -3.454 local terms energy: -759.646075 where: bonds (distance) C4'-P energy: -157.561 bonds (distance) P-C4' energy: -168.972 flat angles C4'-P-C4' energy: -183.414 flat angles P-C4'-P energy: -90.685 tors. eta vs tors. theta energy: -159.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1747.387414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.387414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.387414 (E_RNA) where: Base-Base interactions energy: -1095.813 where: short stacking energy: -510.023 Base-Backbone interact. energy: -2.897 local terms energy: -648.677876 where: bonds (distance) C4'-P energy: -123.925 bonds (distance) P-C4' energy: -164.006 flat angles C4'-P-C4' energy: -161.649 flat angles P-C4'-P energy: -98.388 tors. eta vs tors. theta energy: -100.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1137.637075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.637075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.637075 (E_RNA) where: Base-Base interactions energy: -585.271 where: short stacking energy: -298.602 Base-Backbone interact. energy: 0.246 local terms energy: -552.612128 where: bonds (distance) C4'-P energy: -143.339 bonds (distance) P-C4' energy: -150.377 flat angles C4'-P-C4' energy: -146.971 flat angles P-C4'-P energy: -72.908 tors. eta vs tors. theta energy: -39.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -886.002847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.002847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.002847 (E_RNA) where: Base-Base interactions energy: -376.298 where: short stacking energy: -250.812 Base-Backbone interact. energy: -2.067 local terms energy: -507.638145 where: bonds (distance) C4'-P energy: -150.026 bonds (distance) P-C4' energy: -161.671 flat angles C4'-P-C4' energy: -125.108 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -7.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -784.507278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.507278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.507278 (E_RNA) where: Base-Base interactions energy: -329.523 where: short stacking energy: -228.095 Base-Backbone interact. energy: 6.070 local terms energy: -461.053564 where: bonds (distance) C4'-P energy: -127.260 bonds (distance) P-C4' energy: -139.390 flat angles C4'-P-C4' energy: -129.619 flat angles P-C4'-P energy: -85.002 tors. eta vs tors. theta energy: 20.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3062.070112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.070112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.070112 (E_RNA) where: Base-Base interactions energy: -2046.550 where: short stacking energy: -902.837 Base-Backbone interact. energy: -4.867 local terms energy: -1010.652696 where: bonds (distance) C4'-P energy: -197.531 bonds (distance) P-C4' energy: -182.868 flat angles C4'-P-C4' energy: -218.063 flat angles P-C4'-P energy: -154.088 tors. eta vs tors. theta energy: -258.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2976.696887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.696887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.696887 (E_RNA) where: Base-Base interactions energy: -2046.537 where: short stacking energy: -844.131 Base-Backbone interact. energy: -5.126 local terms energy: -925.034018 where: bonds (distance) C4'-P energy: -170.321 bonds (distance) P-C4' energy: -175.799 flat angles C4'-P-C4' energy: -196.986 flat angles P-C4'-P energy: -142.506 tors. eta vs tors. theta energy: -239.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2820.801342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.801342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.801342 (E_RNA) where: Base-Base interactions energy: -1882.536 where: short stacking energy: -828.122 Base-Backbone interact. energy: -2.251 local terms energy: -936.014380 where: bonds (distance) C4'-P energy: -182.454 bonds (distance) P-C4' energy: -176.028 flat angles C4'-P-C4' energy: -194.622 flat angles P-C4'-P energy: -131.015 tors. eta vs tors. theta energy: -251.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2676.428257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.428257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.428257 (E_RNA) where: Base-Base interactions energy: -1809.769 where: short stacking energy: -806.501 Base-Backbone interact. energy: -4.636 local terms energy: -862.023378 where: bonds (distance) C4'-P energy: -150.890 bonds (distance) P-C4' energy: -178.286 flat angles C4'-P-C4' energy: -181.667 flat angles P-C4'-P energy: -130.382 tors. eta vs tors. theta energy: -220.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2391.226871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.226871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.226871 (E_RNA) where: Base-Base interactions energy: -1616.751 where: short stacking energy: -696.264 Base-Backbone interact. energy: -0.216 local terms energy: -774.259177 where: bonds (distance) C4'-P energy: -162.107 bonds (distance) P-C4' energy: -159.342 flat angles C4'-P-C4' energy: -168.291 flat angles P-C4'-P energy: -104.128 tors. eta vs tors. theta energy: -180.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2316.483594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.483594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.483594 (E_RNA) where: Base-Base interactions energy: -1494.957 where: short stacking energy: -669.219 Base-Backbone interact. energy: 1.809 local terms energy: -823.336084 where: bonds (distance) C4'-P energy: -187.773 bonds (distance) P-C4' energy: -161.652 flat angles C4'-P-C4' energy: -166.563 flat angles P-C4'-P energy: -124.986 tors. eta vs tors. theta energy: -182.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1733.807377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.807377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.807377 (E_RNA) where: Base-Base interactions energy: -1061.583 where: short stacking energy: -463.426 Base-Backbone interact. energy: -0.621 local terms energy: -671.603710 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -164.741 flat angles C4'-P-C4' energy: -156.379 flat angles P-C4'-P energy: -115.085 tors. eta vs tors. theta energy: -92.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1150.705250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.705250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.705250 (E_RNA) where: Base-Base interactions energy: -614.013 where: short stacking energy: -350.204 Base-Backbone interact. energy: 3.237 local terms energy: -539.928501 where: bonds (distance) C4'-P energy: -146.760 bonds (distance) P-C4' energy: -155.052 flat angles C4'-P-C4' energy: -128.740 flat angles P-C4'-P energy: -81.479 tors. eta vs tors. theta energy: -27.898 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: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -930.567443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.567443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.567443 (E_RNA) where: Base-Base interactions energy: -434.596 where: short stacking energy: -261.039 Base-Backbone interact. energy: 1.419 local terms energy: -497.390954 where: bonds (distance) C4'-P energy: -130.092 bonds (distance) P-C4' energy: -154.588 flat angles C4'-P-C4' energy: -157.441 flat angles P-C4'-P energy: -63.124 tors. eta vs tors. theta energy: 7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -734.783500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.783500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.783500 (E_RNA) where: Base-Base interactions energy: -306.676 where: short stacking energy: -193.576 Base-Backbone interact. energy: 1.333 local terms energy: -429.441197 where: bonds (distance) C4'-P energy: -127.737 bonds (distance) P-C4' energy: -130.351 flat angles C4'-P-C4' energy: -119.117 flat angles P-C4'-P energy: -76.994 tors. eta vs tors. theta energy: 24.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3083.366246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.366246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.366246 (E_RNA) where: Base-Base interactions energy: -2144.226 where: short stacking energy: -914.521 Base-Backbone interact. energy: -2.311 local terms energy: -936.830030 where: bonds (distance) C4'-P energy: -171.538 bonds (distance) P-C4' energy: -175.170 flat angles C4'-P-C4' energy: -204.647 flat angles P-C4'-P energy: -115.365 tors. eta vs tors. theta energy: -270.109 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: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2994.896369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.896369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.896369 (E_RNA) where: Base-Base interactions energy: -2086.787 where: short stacking energy: -851.678 Base-Backbone interact. energy: -1.286 local terms energy: -906.823009 where: bonds (distance) C4'-P energy: -156.899 bonds (distance) P-C4' energy: -168.312 flat angles C4'-P-C4' energy: -197.929 flat angles P-C4'-P energy: -147.304 tors. eta vs tors. theta energy: -236.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2865.097034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.097034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.097034 (E_RNA) where: Base-Base interactions energy: -1938.021 where: short stacking energy: -863.853 Base-Backbone interact. energy: -1.358 local terms energy: -925.718584 where: bonds (distance) C4'-P energy: -178.907 bonds (distance) P-C4' energy: -183.007 flat angles C4'-P-C4' energy: -200.014 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -242.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2715.590172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.590172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.590172 (E_RNA) where: Base-Base interactions energy: -1813.381 where: short stacking energy: -806.124 Base-Backbone interact. energy: 3.116 local terms energy: -905.325680 where: bonds (distance) C4'-P energy: -162.646 bonds (distance) P-C4' energy: -186.917 flat angles C4'-P-C4' energy: -199.505 flat angles P-C4'-P energy: -131.829 tors. eta vs tors. theta energy: -224.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2380.663015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.663015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.663015 (E_RNA) where: Base-Base interactions energy: -1566.091 where: short stacking energy: -675.659 Base-Backbone interact. energy: -1.012 local terms energy: -813.559627 where: bonds (distance) C4'-P energy: -170.505 bonds (distance) P-C4' energy: -156.315 flat angles C4'-P-C4' energy: -169.977 flat angles P-C4'-P energy: -127.573 tors. eta vs tors. theta energy: -189.190 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: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2299.554802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.554802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.554802 (E_RNA) where: Base-Base interactions energy: -1528.060 where: short stacking energy: -692.454 Base-Backbone interact. energy: -0.594 local terms energy: -770.900746 where: bonds (distance) C4'-P energy: -149.838 bonds (distance) P-C4' energy: -157.023 flat angles C4'-P-C4' energy: -165.498 flat angles P-C4'-P energy: -118.676 tors. eta vs tors. theta energy: -179.865 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: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1763.498243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.498243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.498243 (E_RNA) where: Base-Base interactions energy: -1064.136 where: short stacking energy: -482.309 Base-Backbone interact. energy: 2.539 local terms energy: -701.901410 where: bonds (distance) C4'-P energy: -143.182 bonds (distance) P-C4' energy: -167.959 flat angles C4'-P-C4' energy: -147.909 flat angles P-C4'-P energy: -126.331 tors. eta vs tors. theta energy: -116.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1238.658806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.658806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.658806 (E_RNA) where: Base-Base interactions energy: -655.191 where: short stacking energy: -317.711 Base-Backbone interact. energy: -0.301 local terms energy: -583.166771 where: bonds (distance) C4'-P energy: -159.774 bonds (distance) P-C4' energy: -155.596 flat angles C4'-P-C4' energy: -148.596 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -28.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -892.765430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.765430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.765430 (E_RNA) where: Base-Base interactions energy: -391.695 where: short stacking energy: -261.209 Base-Backbone interact. energy: -0.970 local terms energy: -500.101276 where: bonds (distance) C4'-P energy: -156.914 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -126.366 flat angles P-C4'-P energy: -80.217 tors. eta vs tors. theta energy: 9.340 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: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -739.026953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.026953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.026953 (E_RNA) where: Base-Base interactions energy: -281.212 where: short stacking energy: -174.141 Base-Backbone interact. energy: -1.025 local terms energy: -456.789605 where: bonds (distance) C4'-P energy: -146.387 bonds (distance) P-C4' energy: -146.985 flat angles C4'-P-C4' energy: -135.550 flat angles P-C4'-P energy: -75.322 tors. eta vs tors. theta energy: 47.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3076.429111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.429111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.429111 (E_RNA) where: Base-Base interactions energy: -2082.324 where: short stacking energy: -920.281 Base-Backbone interact. energy: -1.134 local terms energy: -992.971042 where: bonds (distance) C4'-P energy: -167.874 bonds (distance) P-C4' energy: -192.538 flat angles C4'-P-C4' energy: -215.851 flat angles P-C4'-P energy: -146.128 tors. eta vs tors. theta energy: -270.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2984.620304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.620304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.620304 (E_RNA) where: Base-Base interactions energy: -2075.344 where: short stacking energy: -882.795 Base-Backbone interact. energy: -5.080 local terms energy: -904.196692 where: bonds (distance) C4'-P energy: -148.377 bonds (distance) P-C4' energy: -184.207 flat angles C4'-P-C4' energy: -197.412 flat angles P-C4'-P energy: -119.983 tors. eta vs tors. theta energy: -254.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2831.273816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.273816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.273816 (E_RNA) where: Base-Base interactions energy: -1921.682 where: short stacking energy: -830.413 Base-Backbone interact. energy: -3.322 local terms energy: -906.269354 where: bonds (distance) C4'-P energy: -172.240 bonds (distance) P-C4' energy: -175.660 flat angles C4'-P-C4' energy: -187.372 flat angles P-C4'-P energy: -129.734 tors. eta vs tors. theta energy: -241.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2761.534424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.534424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.534424 (E_RNA) where: Base-Base interactions energy: -1856.529 where: short stacking energy: -811.723 Base-Backbone interact. energy: 1.857 local terms energy: -906.863046 where: bonds (distance) C4'-P energy: -165.846 bonds (distance) P-C4' energy: -181.335 flat angles C4'-P-C4' energy: -192.033 flat angles P-C4'-P energy: -122.842 tors. eta vs tors. theta energy: -244.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2380.500475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.500475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.500475 (E_RNA) where: Base-Base interactions energy: -1568.352 where: short stacking energy: -678.373 Base-Backbone interact. energy: -0.631 local terms energy: -811.517611 where: bonds (distance) C4'-P energy: -167.171 bonds (distance) P-C4' energy: -178.144 flat angles C4'-P-C4' energy: -180.830 flat angles P-C4'-P energy: -105.266 tors. eta vs tors. theta energy: -180.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2314.100617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.100617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.100617 (E_RNA) where: Base-Base interactions energy: -1518.915 where: short stacking energy: -669.333 Base-Backbone interact. energy: 2.808 local terms energy: -797.994396 where: bonds (distance) C4'-P energy: -151.103 bonds (distance) P-C4' energy: -178.454 flat angles C4'-P-C4' energy: -174.263 flat angles P-C4'-P energy: -112.688 tors. eta vs tors. theta energy: -181.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1793.400374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.400374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.400374 (E_RNA) where: Base-Base interactions energy: -1145.814 where: short stacking energy: -503.624 Base-Backbone interact. energy: 1.509 local terms energy: -649.094558 where: bonds (distance) C4'-P energy: -155.125 bonds (distance) P-C4' energy: -152.323 flat angles C4'-P-C4' energy: -158.344 flat angles P-C4'-P energy: -90.959 tors. eta vs tors. theta energy: -92.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1320.716557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.716557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.716557 (E_RNA) where: Base-Base interactions energy: -700.669 where: short stacking energy: -379.165 Base-Backbone interact. energy: 6.812 local terms energy: -626.859702 where: bonds (distance) C4'-P energy: -151.709 bonds (distance) P-C4' energy: -174.218 flat angles C4'-P-C4' energy: -170.073 flat angles P-C4'-P energy: -83.836 tors. eta vs tors. theta energy: -47.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -885.989203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.989203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.989203 (E_RNA) where: Base-Base interactions energy: -370.734 where: short stacking energy: -237.323 Base-Backbone interact. energy: 2.885 local terms energy: -518.140296 where: bonds (distance) C4'-P energy: -149.667 bonds (distance) P-C4' energy: -148.141 flat angles C4'-P-C4' energy: -129.680 flat angles P-C4'-P energy: -92.835 tors. eta vs tors. theta energy: 2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -723.048094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.048094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.048094 (E_RNA) where: Base-Base interactions energy: -322.101 where: short stacking energy: -192.788 Base-Backbone interact. energy: 5.587 local terms energy: -406.533463 where: bonds (distance) C4'-P energy: -131.557 bonds (distance) P-C4' energy: -143.106 flat angles C4'-P-C4' energy: -101.811 flat angles P-C4'-P energy: -75.168 tors. eta vs tors. theta energy: 45.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3106.604647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.604647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.604647 (E_RNA) where: Base-Base interactions energy: -2135.168 where: short stacking energy: -898.292 Base-Backbone interact. energy: -1.896 local terms energy: -969.540195 where: bonds (distance) C4'-P energy: -177.784 bonds (distance) P-C4' energy: -181.035 flat angles C4'-P-C4' energy: -205.243 flat angles P-C4'-P energy: -136.011 tors. eta vs tors. theta energy: -269.467 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2978.172711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.172711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.172711 (E_RNA) where: Base-Base interactions energy: -2028.933 where: short stacking energy: -864.137 Base-Backbone interact. energy: -5.266 local terms energy: -943.974254 where: bonds (distance) C4'-P energy: -172.722 bonds (distance) P-C4' energy: -192.494 flat angles C4'-P-C4' energy: -200.425 flat angles P-C4'-P energy: -127.415 tors. eta vs tors. theta energy: -250.917 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: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2827.954976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.954976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.954976 (E_RNA) where: Base-Base interactions energy: -1918.416 where: short stacking energy: -830.569 Base-Backbone interact. energy: -3.292 local terms energy: -906.246391 where: bonds (distance) C4'-P energy: -170.675 bonds (distance) P-C4' energy: -177.810 flat angles C4'-P-C4' energy: -196.946 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -237.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2714.176450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.176450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.176450 (E_RNA) where: Base-Base interactions energy: -1814.391 where: short stacking energy: -801.326 Base-Backbone interact. energy: 1.032 local terms energy: -900.817461 where: bonds (distance) C4'-P energy: -162.072 bonds (distance) P-C4' energy: -179.633 flat angles C4'-P-C4' energy: -191.592 flat angles P-C4'-P energy: -138.709 tors. eta vs tors. theta energy: -228.813 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: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2367.056362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.056362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.056362 (E_RNA) where: Base-Base interactions energy: -1564.656 where: short stacking energy: -688.383 Base-Backbone interact. energy: 1.028 local terms energy: -803.428098 where: bonds (distance) C4'-P energy: -153.981 bonds (distance) P-C4' energy: -182.457 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -195.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2203.351804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.351804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.351804 (E_RNA) where: Base-Base interactions energy: -1463.286 where: short stacking energy: -659.089 Base-Backbone interact. energy: -1.070 local terms energy: -738.995624 where: bonds (distance) C4'-P energy: -162.871 bonds (distance) P-C4' energy: -165.151 flat angles C4'-P-C4' energy: -180.528 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -140.066 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: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1816.630766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.630766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.630766 (E_RNA) where: Base-Base interactions energy: -1160.051 where: short stacking energy: -517.871 Base-Backbone interact. energy: 0.792 local terms energy: -657.371813 where: bonds (distance) C4'-P energy: -151.646 bonds (distance) P-C4' energy: -157.594 flat angles C4'-P-C4' energy: -132.212 flat angles P-C4'-P energy: -103.177 tors. eta vs tors. theta energy: -112.743 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: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1369.886876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.886876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.886876 (E_RNA) where: Base-Base interactions energy: -787.886 where: short stacking energy: -441.346 Base-Backbone interact. energy: 15.325 local terms energy: -597.325887 where: bonds (distance) C4'-P energy: -141.465 bonds (distance) P-C4' energy: -158.170 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -67.289 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: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -937.720728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.720728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.720728 (E_RNA) where: Base-Base interactions energy: -421.959 where: short stacking energy: -253.656 Base-Backbone interact. energy: -1.621 local terms energy: -514.140457 where: bonds (distance) C4'-P energy: -179.729 bonds (distance) P-C4' energy: -134.371 flat angles C4'-P-C4' energy: -123.918 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: 4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -708.888594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.888594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.888594 (E_RNA) where: Base-Base interactions energy: -247.984 where: short stacking energy: -160.607 Base-Backbone interact. energy: -2.650 local terms energy: -458.254182 where: bonds (distance) C4'-P energy: -144.947 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -132.248 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: 50.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3118.085113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.085113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.085113 (E_RNA) where: Base-Base interactions energy: -2143.781 where: short stacking energy: -932.087 Base-Backbone interact. energy: -2.055 local terms energy: -972.250049 where: bonds (distance) C4'-P energy: -164.806 bonds (distance) P-C4' energy: -185.358 flat angles C4'-P-C4' energy: -209.800 flat angles P-C4'-P energy: -132.296 tors. eta vs tors. theta energy: -279.989 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: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3028.369121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.369121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.369121 (E_RNA) where: Base-Base interactions energy: -2100.840 where: short stacking energy: -869.782 Base-Backbone interact. energy: -0.738 local terms energy: -926.790672 where: bonds (distance) C4'-P energy: -171.369 bonds (distance) P-C4' energy: -184.101 flat angles C4'-P-C4' energy: -195.654 flat angles P-C4'-P energy: -136.056 tors. eta vs tors. theta energy: -239.610 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: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2807.855196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.855196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.855196 (E_RNA) where: Base-Base interactions energy: -1928.102 where: short stacking energy: -827.541 Base-Backbone interact. energy: 0.239 local terms energy: -879.991759 where: bonds (distance) C4'-P energy: -156.936 bonds (distance) P-C4' energy: -179.365 flat angles C4'-P-C4' energy: -189.493 flat angles P-C4'-P energy: -116.334 tors. eta vs tors. theta energy: -237.863 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: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2748.783724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.783724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.783724 (E_RNA) where: Base-Base interactions energy: -1835.137 where: short stacking energy: -815.417 Base-Backbone interact. energy: -0.529 local terms energy: -913.118340 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -188.431 flat angles C4'-P-C4' energy: -201.284 flat angles P-C4'-P energy: -128.919 tors. eta vs tors. theta energy: -239.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2392.563808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.563808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.563808 (E_RNA) where: Base-Base interactions energy: -1572.646 where: short stacking energy: -694.434 Base-Backbone interact. energy: 1.538 local terms energy: -821.455957 where: bonds (distance) C4'-P energy: -170.089 bonds (distance) P-C4' energy: -162.553 flat angles C4'-P-C4' energy: -185.376 flat angles P-C4'-P energy: -104.024 tors. eta vs tors. theta energy: -199.413 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: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2181.789557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.789557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.789557 (E_RNA) where: Base-Base interactions energy: -1435.610 where: short stacking energy: -644.645 Base-Backbone interact. energy: -2.596 local terms energy: -743.584507 where: bonds (distance) C4'-P energy: -131.894 bonds (distance) P-C4' energy: -172.208 flat angles C4'-P-C4' energy: -175.979 flat angles P-C4'-P energy: -95.860 tors. eta vs tors. theta energy: -167.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1697.112085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.112085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.112085 (E_RNA) where: Base-Base interactions energy: -1064.221 where: short stacking energy: -485.623 Base-Backbone interact. energy: -0.944 local terms energy: -631.946979 where: bonds (distance) C4'-P energy: -151.990 bonds (distance) P-C4' energy: -175.625 flat angles C4'-P-C4' energy: -137.591 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -88.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1287.671931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.671931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.671931 (E_RNA) where: Base-Base interactions energy: -717.343 where: short stacking energy: -343.976 Base-Backbone interact. energy: -1.890 local terms energy: -568.438425 where: bonds (distance) C4'-P energy: -143.183 bonds (distance) P-C4' energy: -160.582 flat angles C4'-P-C4' energy: -136.715 flat angles P-C4'-P energy: -84.791 tors. eta vs tors. theta energy: -43.167 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: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -981.954832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.954832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.954832 (E_RNA) where: Base-Base interactions energy: -448.630 where: short stacking energy: -299.334 Base-Backbone interact. energy: 1.910 local terms energy: -535.234659 where: bonds (distance) C4'-P energy: -125.089 bonds (distance) P-C4' energy: -182.480 flat angles C4'-P-C4' energy: -128.224 flat angles P-C4'-P energy: -87.891 tors. eta vs tors. theta energy: -11.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -716.213955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.213955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.213955 (E_RNA) where: Base-Base interactions energy: -268.443 where: short stacking energy: -177.507 Base-Backbone interact. energy: 5.631 local terms energy: -453.401897 where: bonds (distance) C4'-P energy: -135.641 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -139.370 flat angles P-C4'-P energy: -84.234 tors. eta vs tors. theta energy: 46.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3098.921430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.921430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.921430 (E_RNA) where: Base-Base interactions energy: -2148.086 where: short stacking energy: -932.063 Base-Backbone interact. energy: -3.291 local terms energy: -947.544464 where: bonds (distance) C4'-P energy: -163.937 bonds (distance) P-C4' energy: -188.728 flat angles C4'-P-C4' energy: -189.707 flat angles P-C4'-P energy: -137.382 tors. eta vs tors. theta energy: -267.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2981.294415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.294415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.294415 (E_RNA) where: Base-Base interactions energy: -2073.894 where: short stacking energy: -866.764 Base-Backbone interact. energy: -1.115 local terms energy: -906.285833 where: bonds (distance) C4'-P energy: -190.261 bonds (distance) P-C4' energy: -161.605 flat angles C4'-P-C4' energy: -188.858 flat angles P-C4'-P energy: -123.442 tors. eta vs tors. theta energy: -242.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2852.317869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.317869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.317869 (E_RNA) where: Base-Base interactions energy: -1955.295 where: short stacking energy: -846.051 Base-Backbone interact. energy: -2.790 local terms energy: -894.233615 where: bonds (distance) C4'-P energy: -179.429 bonds (distance) P-C4' energy: -176.356 flat angles C4'-P-C4' energy: -190.978 flat angles P-C4'-P energy: -110.457 tors. eta vs tors. theta energy: -237.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2736.492030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.492030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.492030 (E_RNA) where: Base-Base interactions energy: -1877.862 where: short stacking energy: -805.288 Base-Backbone interact. energy: 2.059 local terms energy: -860.689072 where: bonds (distance) C4'-P energy: -140.587 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -203.870 flat angles P-C4'-P energy: -122.768 tors. eta vs tors. theta energy: -237.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2307.748021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.748021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.748021 (E_RNA) where: Base-Base interactions energy: -1531.517 where: short stacking energy: -665.923 Base-Backbone interact. energy: -2.125 local terms energy: -774.106130 where: bonds (distance) C4'-P energy: -164.945 bonds (distance) P-C4' energy: -178.086 flat angles C4'-P-C4' energy: -166.888 flat angles P-C4'-P energy: -107.356 tors. eta vs tors. theta energy: -156.832 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: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2208.049167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.049167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.049167 (E_RNA) where: Base-Base interactions energy: -1436.183 where: short stacking energy: -667.505 Base-Backbone interact. energy: -0.375 local terms energy: -771.490546 where: bonds (distance) C4'-P energy: -150.925 bonds (distance) P-C4' energy: -162.892 flat angles C4'-P-C4' energy: -161.420 flat angles P-C4'-P energy: -115.939 tors. eta vs tors. theta energy: -180.315 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: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1763.733298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.733298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.733298 (E_RNA) where: Base-Base interactions energy: -1099.935 where: short stacking energy: -533.613 Base-Backbone interact. energy: -1.933 local terms energy: -661.865477 where: bonds (distance) C4'-P energy: -156.833 bonds (distance) P-C4' energy: -153.888 flat angles C4'-P-C4' energy: -141.336 flat angles P-C4'-P energy: -102.400 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: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1293.658592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.658592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.658592 (E_RNA) where: Base-Base interactions energy: -713.871 where: short stacking energy: -363.765 Base-Backbone interact. energy: -4.258 local terms energy: -575.529363 where: bonds (distance) C4'-P energy: -157.521 bonds (distance) P-C4' energy: -139.008 flat angles C4'-P-C4' energy: -129.848 flat angles P-C4'-P energy: -98.407 tors. eta vs tors. theta energy: -50.746 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: 376 Temperature: 1.300000 Total energy: -923.421067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.421067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.421067 (E_RNA) where: Base-Base interactions energy: -461.136 where: short stacking energy: -285.083 Base-Backbone interact. energy: 8.743 local terms energy: -471.027757 where: bonds (distance) C4'-P energy: -128.168 bonds (distance) P-C4' energy: -153.339 flat angles C4'-P-C4' energy: -119.631 flat angles P-C4'-P energy: -76.944 tors. eta vs tors. theta energy: 7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -733.104151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.104151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.104151 (E_RNA) where: Base-Base interactions energy: -298.683 where: short stacking energy: -202.018 Base-Backbone interact. energy: 3.904 local terms energy: -438.325307 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -154.236 flat angles C4'-P-C4' energy: -122.489 flat angles P-C4'-P energy: -54.716 tors. eta vs tors. theta energy: 27.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3087.835748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.835748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.835748 (E_RNA) where: Base-Base interactions energy: -2100.336 where: short stacking energy: -918.389 Base-Backbone interact. energy: -1.761 local terms energy: -985.739171 where: bonds (distance) C4'-P energy: -187.262 bonds (distance) P-C4' energy: -180.273 flat angles C4'-P-C4' energy: -201.105 flat angles P-C4'-P energy: -140.929 tors. eta vs tors. theta energy: -276.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2951.864732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.864732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.864732 (E_RNA) where: Base-Base interactions energy: -2044.090 where: short stacking energy: -863.278 Base-Backbone interact. energy: 6.825 local terms energy: -914.598886 where: bonds (distance) C4'-P energy: -160.381 bonds (distance) P-C4' energy: -188.758 flat angles C4'-P-C4' energy: -202.934 flat angles P-C4'-P energy: -120.192 tors. eta vs tors. theta energy: -242.333 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: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2845.227702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.227702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.227702 (E_RNA) where: Base-Base interactions energy: -1949.093 where: short stacking energy: -854.899 Base-Backbone interact. energy: 2.702 local terms energy: -898.836654 where: bonds (distance) C4'-P energy: -171.259 bonds (distance) P-C4' energy: -166.419 flat angles C4'-P-C4' energy: -206.000 flat angles P-C4'-P energy: -118.430 tors. eta vs tors. theta energy: -236.729 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: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2738.566609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.566609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.566609 (E_RNA) where: Base-Base interactions energy: -1837.965 where: short stacking energy: -824.228 Base-Backbone interact. energy: 0.011 local terms energy: -900.612529 where: bonds (distance) C4'-P energy: -175.479 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -188.294 flat angles P-C4'-P energy: -137.709 tors. eta vs tors. theta energy: -241.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2255.955179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.955179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.955179 (E_RNA) where: Base-Base interactions energy: -1491.953 where: short stacking energy: -671.698 Base-Backbone interact. energy: 0.326 local terms energy: -764.327937 where: bonds (distance) C4'-P energy: -153.909 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -179.628 flat angles P-C4'-P energy: -117.697 tors. eta vs tors. theta energy: -175.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2226.346732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.346732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.346732 (E_RNA) where: Base-Base interactions energy: -1440.285 where: short stacking energy: -648.688 Base-Backbone interact. energy: 1.717 local terms energy: -787.778813 where: bonds (distance) C4'-P energy: -160.045 bonds (distance) P-C4' energy: -151.449 flat angles C4'-P-C4' energy: -186.821 flat angles P-C4'-P energy: -128.044 tors. eta vs tors. theta energy: -161.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1747.097180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.097180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.097180 (E_RNA) where: Base-Base interactions energy: -1091.822 where: short stacking energy: -495.910 Base-Backbone interact. energy: -4.069 local terms energy: -651.205972 where: bonds (distance) C4'-P energy: -142.608 bonds (distance) P-C4' energy: -165.029 flat angles C4'-P-C4' energy: -150.309 flat angles P-C4'-P energy: -90.188 tors. eta vs tors. theta energy: -103.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1308.048435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.048435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.048435 (E_RNA) where: Base-Base interactions energy: -769.648 where: short stacking energy: -417.795 Base-Backbone interact. energy: -2.482 local terms energy: -535.918532 where: bonds (distance) C4'-P energy: -136.887 bonds (distance) P-C4' energy: -149.092 flat angles C4'-P-C4' energy: -138.742 flat angles P-C4'-P energy: -73.731 tors. eta vs tors. theta energy: -37.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -986.522307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.522307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.522307 (E_RNA) where: Base-Base interactions energy: -472.833 where: short stacking energy: -286.748 Base-Backbone interact. energy: 6.001 local terms energy: -519.690106 where: bonds (distance) C4'-P energy: -148.625 bonds (distance) P-C4' energy: -167.271 flat angles C4'-P-C4' energy: -113.793 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -19.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -683.143386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.143386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.143386 (E_RNA) where: Base-Base interactions energy: -224.938 where: short stacking energy: -177.157 Base-Backbone interact. energy: -2.546 local terms energy: -455.658807 where: bonds (distance) C4'-P energy: -156.074 bonds (distance) P-C4' energy: -158.198 flat angles C4'-P-C4' energy: -110.360 flat angles P-C4'-P energy: -70.355 tors. eta vs tors. theta energy: 39.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3051.735246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.735246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.735246 (E_RNA) where: Base-Base interactions energy: -2044.228 where: short stacking energy: -891.990 Base-Backbone interact. energy: -1.636 local terms energy: -1005.871313 where: bonds (distance) C4'-P energy: -179.838 bonds (distance) P-C4' energy: -190.115 flat angles C4'-P-C4' energy: -206.228 flat angles P-C4'-P energy: -161.847 tors. eta vs tors. theta energy: -267.843 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: 378 Temperature: 0.950000 Total energy: -2965.463271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.463271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.463271 (E_RNA) where: Base-Base interactions energy: -2066.336 where: short stacking energy: -847.392 Base-Backbone interact. energy: -1.811 local terms energy: -897.316367 where: bonds (distance) C4'-P energy: -175.710 bonds (distance) P-C4' energy: -169.964 flat angles C4'-P-C4' energy: -194.434 flat angles P-C4'-P energy: -125.845 tors. eta vs tors. theta energy: -231.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2851.504640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.504640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.504640 (E_RNA) where: Base-Base interactions energy: -1938.377 where: short stacking energy: -851.814 Base-Backbone interact. energy: -1.843 local terms energy: -911.285509 where: bonds (distance) C4'-P energy: -174.256 bonds (distance) P-C4' energy: -178.253 flat angles C4'-P-C4' energy: -194.888 flat angles P-C4'-P energy: -128.341 tors. eta vs tors. theta energy: -235.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2712.042722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.042722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.042722 (E_RNA) where: Base-Base interactions energy: -1838.629 where: short stacking energy: -800.322 Base-Backbone interact. energy: 3.007 local terms energy: -876.420832 where: bonds (distance) C4'-P energy: -167.272 bonds (distance) P-C4' energy: -162.012 flat angles C4'-P-C4' energy: -192.448 flat angles P-C4'-P energy: -120.252 tors. eta vs tors. theta energy: -234.437 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: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2355.755464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.755464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.755464 (E_RNA) where: Base-Base interactions energy: -1548.745 where: short stacking energy: -702.237 Base-Backbone interact. energy: -3.313 local terms energy: -803.697674 where: bonds (distance) C4'-P energy: -133.796 bonds (distance) P-C4' energy: -154.230 flat angles C4'-P-C4' energy: -196.519 flat angles P-C4'-P energy: -123.287 tors. eta vs tors. theta energy: -195.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2165.412891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.412891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.412891 (E_RNA) where: Base-Base interactions energy: -1425.569 where: short stacking energy: -634.432 Base-Backbone interact. energy: 0.357 local terms energy: -740.200974 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -158.577 flat angles C4'-P-C4' energy: -169.767 flat angles P-C4'-P energy: -106.561 tors. eta vs tors. theta energy: -152.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1757.474799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.474799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.474799 (E_RNA) where: Base-Base interactions energy: -1124.164 where: short stacking energy: -475.587 Base-Backbone interact. energy: -0.791 local terms energy: -632.519812 where: bonds (distance) C4'-P energy: -138.442 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -133.692 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -98.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1313.773687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.773687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.773687 (E_RNA) where: Base-Base interactions energy: -716.177 where: short stacking energy: -349.021 Base-Backbone interact. energy: 0.434 local terms energy: -598.031323 where: bonds (distance) C4'-P energy: -153.757 bonds (distance) P-C4' energy: -148.450 flat angles C4'-P-C4' energy: -126.000 flat angles P-C4'-P energy: -112.651 tors. eta vs tors. theta energy: -57.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -984.408148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.408148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.408148 (E_RNA) where: Base-Base interactions energy: -485.964 where: short stacking energy: -275.514 Base-Backbone interact. energy: 0.664 local terms energy: -499.108689 where: bonds (distance) C4'-P energy: -163.232 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -116.257 flat angles P-C4'-P energy: -98.077 tors. eta vs tors. theta energy: 21.534 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: 378 Temperature: 1.350000 Total energy: -657.812841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.812841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.812841 (E_RNA) where: Base-Base interactions energy: -234.677 where: short stacking energy: -173.757 Base-Backbone interact. energy: 3.155 local terms energy: -426.291010 where: bonds (distance) C4'-P energy: -137.542 bonds (distance) P-C4' energy: -134.469 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: 26.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3062.409818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.409818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.409818 (E_RNA) where: Base-Base interactions energy: -2093.303 where: short stacking energy: -913.436 Base-Backbone interact. energy: -0.777 local terms energy: -968.329879 where: bonds (distance) C4'-P energy: -180.654 bonds (distance) P-C4' energy: -187.730 flat angles C4'-P-C4' energy: -197.163 flat angles P-C4'-P energy: -132.430 tors. eta vs tors. theta energy: -270.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2991.650282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.650282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.650282 (E_RNA) where: Base-Base interactions energy: -2045.092 where: short stacking energy: -870.392 Base-Backbone interact. energy: -8.705 local terms energy: -937.853172 where: bonds (distance) C4'-P energy: -170.643 bonds (distance) P-C4' energy: -188.002 flat angles C4'-P-C4' energy: -205.383 flat angles P-C4'-P energy: -130.356 tors. eta vs tors. theta energy: -243.470 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: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2843.404201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.404201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.404201 (E_RNA) where: Base-Base interactions energy: -1920.102 where: short stacking energy: -829.913 Base-Backbone interact. energy: 1.242 local terms energy: -924.544409 where: bonds (distance) C4'-P energy: -171.642 bonds (distance) P-C4' energy: -163.020 flat angles C4'-P-C4' energy: -209.511 flat angles P-C4'-P energy: -131.513 tors. eta vs tors. theta energy: -248.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2713.600216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.600216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.600216 (E_RNA) where: Base-Base interactions energy: -1825.886 where: short stacking energy: -791.235 Base-Backbone interact. energy: -2.064 local terms energy: -885.650676 where: bonds (distance) C4'-P energy: -167.942 bonds (distance) P-C4' energy: -167.175 flat angles C4'-P-C4' energy: -184.156 flat angles P-C4'-P energy: -131.634 tors. eta vs tors. theta energy: -234.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2312.051255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.051255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.051255 (E_RNA) where: Base-Base interactions energy: -1490.572 where: short stacking energy: -675.555 Base-Backbone interact. energy: -0.318 local terms energy: -821.160994 where: bonds (distance) C4'-P energy: -166.781 bonds (distance) P-C4' energy: -173.754 flat angles C4'-P-C4' energy: -180.996 flat angles P-C4'-P energy: -126.509 tors. eta vs tors. theta energy: -173.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2187.853236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.853236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.853236 (E_RNA) where: Base-Base interactions energy: -1423.702 where: short stacking energy: -635.871 Base-Backbone interact. energy: 2.637 local terms energy: -766.787778 where: bonds (distance) C4'-P energy: -149.454 bonds (distance) P-C4' energy: -154.066 flat angles C4'-P-C4' energy: -171.773 flat angles P-C4'-P energy: -125.503 tors. eta vs tors. theta energy: -165.992 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: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1834.300825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.300825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.300825 (E_RNA) where: Base-Base interactions energy: -1151.681 where: short stacking energy: -509.947 Base-Backbone interact. energy: 0.214 local terms energy: -682.834088 where: bonds (distance) C4'-P energy: -140.767 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -173.919 flat angles P-C4'-P energy: -105.692 tors. eta vs tors. theta energy: -113.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1240.133787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.133787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.133787 (E_RNA) where: Base-Base interactions energy: -668.707 where: short stacking energy: -342.253 Base-Backbone interact. energy: -4.293 local terms energy: -567.133287 where: bonds (distance) C4'-P energy: -143.141 bonds (distance) P-C4' energy: -152.383 flat angles C4'-P-C4' energy: -127.952 flat angles P-C4'-P energy: -101.496 tors. eta vs tors. theta energy: -42.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -965.211615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.211615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.211615 (E_RNA) where: Base-Base interactions energy: -471.549 where: short stacking energy: -296.608 Base-Backbone interact. energy: -1.294 local terms energy: -492.367983 where: bonds (distance) C4'-P energy: -170.075 bonds (distance) P-C4' energy: -134.461 flat angles C4'-P-C4' energy: -83.284 flat angles P-C4'-P energy: -89.835 tors. eta vs tors. theta energy: -14.713 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: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -689.348265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.348265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.348265 (E_RNA) where: Base-Base interactions energy: -213.768 where: short stacking energy: -193.891 Base-Backbone interact. energy: 3.043 local terms energy: -478.623455 where: bonds (distance) C4'-P energy: -138.273 bonds (distance) P-C4' energy: -162.137 flat angles C4'-P-C4' energy: -111.954 flat angles P-C4'-P energy: -88.948 tors. eta vs tors. theta energy: 22.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3114.229003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.229003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.229003 (E_RNA) where: Base-Base interactions energy: -2133.354 where: short stacking energy: -917.339 Base-Backbone interact. energy: -0.489 local terms energy: -980.386207 where: bonds (distance) C4'-P energy: -171.285 bonds (distance) P-C4' energy: -182.124 flat angles C4'-P-C4' energy: -211.582 flat angles P-C4'-P energy: -131.074 tors. eta vs tors. theta energy: -284.321 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: 380 Temperature: 0.950000 Total energy: -3043.372873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.372873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.372873 (E_RNA) where: Base-Base interactions energy: -2101.730 where: short stacking energy: -875.307 Base-Backbone interact. energy: -1.826 local terms energy: -939.817604 where: bonds (distance) C4'-P energy: -159.333 bonds (distance) P-C4' energy: -187.040 flat angles C4'-P-C4' energy: -189.780 flat angles P-C4'-P energy: -144.291 tors. eta vs tors. theta energy: -259.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2808.638673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.638673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.638673 (E_RNA) where: Base-Base interactions energy: -1913.890 where: short stacking energy: -833.625 Base-Backbone interact. energy: -4.836 local terms energy: -889.912741 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -169.766 flat angles C4'-P-C4' energy: -196.925 flat angles P-C4'-P energy: -120.949 tors. eta vs tors. theta energy: -244.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2730.380264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.380264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.380264 (E_RNA) where: Base-Base interactions energy: -1832.386 where: short stacking energy: -821.094 Base-Backbone interact. energy: -4.638 local terms energy: -893.356122 where: bonds (distance) C4'-P energy: -164.896 bonds (distance) P-C4' energy: -155.896 flat angles C4'-P-C4' energy: -197.815 flat angles P-C4'-P energy: -119.943 tors. eta vs tors. theta energy: -254.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2369.045740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.045740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.045740 (E_RNA) where: Base-Base interactions energy: -1566.946 where: short stacking energy: -713.935 Base-Backbone interact. energy: 2.400 local terms energy: -804.500209 where: bonds (distance) C4'-P energy: -159.500 bonds (distance) P-C4' energy: -182.925 flat angles C4'-P-C4' energy: -156.087 flat angles P-C4'-P energy: -128.033 tors. eta vs tors. theta energy: -177.956 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: 380 Temperature: 1.150000 Total energy: -2264.078352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.078352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.078352 (E_RNA) where: Base-Base interactions energy: -1509.114 where: short stacking energy: -677.445 Base-Backbone interact. energy: 3.056 local terms energy: -758.020043 where: bonds (distance) C4'-P energy: -147.229 bonds (distance) P-C4' energy: -164.058 flat angles C4'-P-C4' energy: -172.218 flat angles P-C4'-P energy: -95.697 tors. eta vs tors. theta energy: -178.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1879.811385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.811385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.811385 (E_RNA) where: Base-Base interactions energy: -1182.236 where: short stacking energy: -530.975 Base-Backbone interact. energy: -0.034 local terms energy: -697.541222 where: bonds (distance) C4'-P energy: -150.373 bonds (distance) P-C4' energy: -163.395 flat angles C4'-P-C4' energy: -162.951 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -120.540 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: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1303.744686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.744686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.744686 (E_RNA) where: Base-Base interactions energy: -714.185 where: short stacking energy: -365.554 Base-Backbone interact. energy: -0.677 local terms energy: -588.882753 where: bonds (distance) C4'-P energy: -146.358 bonds (distance) P-C4' energy: -165.025 flat angles C4'-P-C4' energy: -156.782 flat angles P-C4'-P energy: -82.907 tors. eta vs tors. theta energy: -37.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -915.617791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.617791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.617791 (E_RNA) where: Base-Base interactions energy: -405.264 where: short stacking energy: -260.358 Base-Backbone interact. energy: 4.779 local terms energy: -515.132847 where: bonds (distance) C4'-P energy: -150.151 bonds (distance) P-C4' energy: -165.377 flat angles C4'-P-C4' energy: -134.990 flat angles P-C4'-P energy: -82.451 tors. eta vs tors. theta energy: 17.837 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: 380 Temperature: 1.350000 Total energy: -665.446530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.446530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.446530 (E_RNA) where: Base-Base interactions energy: -190.551 where: short stacking energy: -146.285 Base-Backbone interact. energy: -4.497 local terms energy: -470.399066 where: bonds (distance) C4'-P energy: -134.605 bonds (distance) P-C4' energy: -169.415 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -77.236 tors. eta vs tors. theta energy: 29.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3062.963349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.963349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.963349 (E_RNA) where: Base-Base interactions energy: -2079.440 where: short stacking energy: -907.575 Base-Backbone interact. energy: 1.129 local terms energy: -984.652364 where: bonds (distance) C4'-P energy: -184.999 bonds (distance) P-C4' energy: -189.407 flat angles C4'-P-C4' energy: -204.317 flat angles P-C4'-P energy: -150.372 tors. eta vs tors. theta energy: -255.557 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: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3028.586185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.586185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.586185 (E_RNA) where: Base-Base interactions energy: -2065.134 where: short stacking energy: -866.057 Base-Backbone interact. energy: -5.640 local terms energy: -957.812036 where: bonds (distance) C4'-P energy: -187.413 bonds (distance) P-C4' energy: -181.903 flat angles C4'-P-C4' energy: -218.701 flat angles P-C4'-P energy: -130.289 tors. eta vs tors. theta energy: -239.507 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: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2770.310876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.310876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.310876 (E_RNA) where: Base-Base interactions energy: -1853.207 where: short stacking energy: -802.810 Base-Backbone interact. energy: -5.260 local terms energy: -911.844779 where: bonds (distance) C4'-P energy: -159.930 bonds (distance) P-C4' energy: -177.961 flat angles C4'-P-C4' energy: -206.692 flat angles P-C4'-P energy: -133.530 tors. eta vs tors. theta energy: -233.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2752.349302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.349302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.349302 (E_RNA) where: Base-Base interactions energy: -1838.249 where: short stacking energy: -830.789 Base-Backbone interact. energy: -3.270 local terms energy: -910.830221 where: bonds (distance) C4'-P energy: -155.802 bonds (distance) P-C4' energy: -178.917 flat angles C4'-P-C4' energy: -200.084 flat angles P-C4'-P energy: -136.261 tors. eta vs tors. theta energy: -239.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2407.851003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.851003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.851003 (E_RNA) where: Base-Base interactions energy: -1597.330 where: short stacking energy: -753.296 Base-Backbone interact. energy: -3.119 local terms energy: -807.401279 where: bonds (distance) C4'-P energy: -145.984 bonds (distance) P-C4' energy: -159.970 flat angles C4'-P-C4' energy: -167.128 flat angles P-C4'-P energy: -120.871 tors. eta vs tors. theta energy: -213.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2207.936414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.936414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.936414 (E_RNA) where: Base-Base interactions energy: -1491.936 where: short stacking energy: -639.441 Base-Backbone interact. energy: -5.186 local terms energy: -710.814092 where: bonds (distance) C4'-P energy: -147.097 bonds (distance) P-C4' energy: -149.504 flat angles C4'-P-C4' energy: -162.254 flat angles P-C4'-P energy: -105.084 tors. eta vs tors. theta energy: -146.874 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: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1845.178029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.178029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.178029 (E_RNA) where: Base-Base interactions energy: -1147.189 where: short stacking energy: -490.609 Base-Backbone interact. energy: 0.793 local terms energy: -698.782226 where: bonds (distance) C4'-P energy: -144.347 bonds (distance) P-C4' energy: -173.028 flat angles C4'-P-C4' energy: -178.049 flat angles P-C4'-P energy: -101.532 tors. eta vs tors. theta energy: -101.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1294.065729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.065729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.065729 (E_RNA) where: Base-Base interactions energy: -719.844 where: short stacking energy: -371.524 Base-Backbone interact. energy: -3.384 local terms energy: -570.837977 where: bonds (distance) C4'-P energy: -146.777 bonds (distance) P-C4' energy: -153.697 flat angles C4'-P-C4' energy: -148.361 flat angles P-C4'-P energy: -87.351 tors. eta vs tors. theta energy: -34.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -903.970738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.970738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.970738 (E_RNA) where: Base-Base interactions energy: -405.003 where: short stacking energy: -258.488 Base-Backbone interact. energy: 5.152 local terms energy: -504.119942 where: bonds (distance) C4'-P energy: -146.786 bonds (distance) P-C4' energy: -161.435 flat angles C4'-P-C4' energy: -124.563 flat angles P-C4'-P energy: -70.247 tors. eta vs tors. theta energy: -1.088 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: 381 Temperature: 1.350000 Total energy: -662.989531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.989531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.989531 (E_RNA) where: Base-Base interactions energy: -220.236 where: short stacking energy: -175.157 Base-Backbone interact. energy: 1.660 local terms energy: -444.412936 where: bonds (distance) C4'-P energy: -151.316 bonds (distance) P-C4' energy: -165.628 flat angles C4'-P-C4' energy: -101.360 flat angles P-C4'-P energy: -78.815 tors. eta vs tors. theta energy: 52.705 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: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3133.481518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.481518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.481518 (E_RNA) where: Base-Base interactions energy: -2125.240 where: short stacking energy: -946.210 Base-Backbone interact. energy: -2.167 local terms energy: -1006.074093 where: bonds (distance) C4'-P energy: -180.307 bonds (distance) P-C4' energy: -196.888 flat angles C4'-P-C4' energy: -212.986 flat angles P-C4'-P energy: -123.112 tors. eta vs tors. theta energy: -292.781 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: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3003.897161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.897161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.897161 (E_RNA) where: Base-Base interactions energy: -2036.387 where: short stacking energy: -866.664 Base-Backbone interact. energy: -0.636 local terms energy: -966.874138 where: bonds (distance) C4'-P energy: -185.836 bonds (distance) P-C4' energy: -183.608 flat angles C4'-P-C4' energy: -203.786 flat angles P-C4'-P energy: -138.462 tors. eta vs tors. theta energy: -255.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2803.572279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.572279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.572279 (E_RNA) where: Base-Base interactions energy: -1883.078 where: short stacking energy: -810.909 Base-Backbone interact. energy: 3.309 local terms energy: -923.803851 where: bonds (distance) C4'-P energy: -189.113 bonds (distance) P-C4' energy: -186.953 flat angles C4'-P-C4' energy: -196.856 flat angles P-C4'-P energy: -115.396 tors. eta vs tors. theta energy: -235.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2779.130831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.130831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.130831 (E_RNA) where: Base-Base interactions energy: -1847.812 where: short stacking energy: -839.730 Base-Backbone interact. energy: -4.292 local terms energy: -927.026296 where: bonds (distance) C4'-P energy: -180.059 bonds (distance) P-C4' energy: -176.935 flat angles C4'-P-C4' energy: -188.574 flat angles P-C4'-P energy: -127.137 tors. eta vs tors. theta energy: -254.321 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: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2393.930604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.930604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.930604 (E_RNA) where: Base-Base interactions energy: -1569.532 where: short stacking energy: -716.429 Base-Backbone interact. energy: -1.924 local terms energy: -822.475232 where: bonds (distance) C4'-P energy: -154.938 bonds (distance) P-C4' energy: -158.268 flat angles C4'-P-C4' energy: -202.763 flat angles P-C4'-P energy: -119.797 tors. eta vs tors. theta energy: -186.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2215.505934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.505934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.505934 (E_RNA) where: Base-Base interactions energy: -1410.254 where: short stacking energy: -607.562 Base-Backbone interact. energy: 0.024 local terms energy: -805.276406 where: bonds (distance) C4'-P energy: -161.888 bonds (distance) P-C4' energy: -178.742 flat angles C4'-P-C4' energy: -190.167 flat angles P-C4'-P energy: -113.909 tors. eta vs tors. theta energy: -160.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1851.834009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.834009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.834009 (E_RNA) where: Base-Base interactions energy: -1187.045 where: short stacking energy: -563.714 Base-Backbone interact. energy: -5.518 local terms energy: -659.270883 where: bonds (distance) C4'-P energy: -129.466 bonds (distance) P-C4' energy: -162.324 flat angles C4'-P-C4' energy: -138.578 flat angles P-C4'-P energy: -118.122 tors. eta vs tors. theta energy: -110.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1204.054841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.054841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.054841 (E_RNA) where: Base-Base interactions energy: -650.091 where: short stacking energy: -328.494 Base-Backbone interact. energy: 1.118 local terms energy: -555.082113 where: bonds (distance) C4'-P energy: -154.072 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -160.441 flat angles P-C4'-P energy: -82.297 tors. eta vs tors. theta energy: -17.390 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: 382 Temperature: 1.300000 Total energy: -948.303638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.303638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.303638 (E_RNA) where: Base-Base interactions energy: -431.588 where: short stacking energy: -268.455 Base-Backbone interact. energy: 1.001 local terms energy: -517.717285 where: bonds (distance) C4'-P energy: -149.781 bonds (distance) P-C4' energy: -164.124 flat angles C4'-P-C4' energy: -127.117 flat angles P-C4'-P energy: -77.128 tors. eta vs tors. theta energy: 0.432 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: 382 Temperature: 1.350000 Total energy: -691.379171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.379171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.379171 (E_RNA) where: Base-Base interactions energy: -270.087 where: short stacking energy: -185.419 Base-Backbone interact. energy: 0.975 local terms energy: -422.266375 where: bonds (distance) C4'-P energy: -146.372 bonds (distance) P-C4' energy: -133.401 flat angles C4'-P-C4' energy: -120.315 flat angles P-C4'-P energy: -73.157 tors. eta vs tors. theta energy: 50.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3123.888095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.888095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.888095 (E_RNA) where: Base-Base interactions energy: -2124.070 where: short stacking energy: -933.276 Base-Backbone interact. energy: -3.604 local terms energy: -996.214456 where: bonds (distance) C4'-P energy: -182.108 bonds (distance) P-C4' energy: -182.534 flat angles C4'-P-C4' energy: -204.779 flat angles P-C4'-P energy: -146.671 tors. eta vs tors. theta energy: -280.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3053.693492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.693492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.693492 (E_RNA) where: Base-Base interactions energy: -2103.233 where: short stacking energy: -875.475 Base-Backbone interact. energy: -6.264 local terms energy: -944.197126 where: bonds (distance) C4'-P energy: -154.669 bonds (distance) P-C4' energy: -189.094 flat angles C4'-P-C4' energy: -195.326 flat angles P-C4'-P energy: -155.519 tors. eta vs tors. theta energy: -249.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2798.786626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.786626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.786626 (E_RNA) where: Base-Base interactions energy: -1915.167 where: short stacking energy: -844.411 Base-Backbone interact. energy: -1.709 local terms energy: -881.911001 where: bonds (distance) C4'-P energy: -169.234 bonds (distance) P-C4' energy: -164.421 flat angles C4'-P-C4' energy: -185.806 flat angles P-C4'-P energy: -126.407 tors. eta vs tors. theta energy: -236.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2764.585465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.585465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.585465 (E_RNA) where: Base-Base interactions energy: -1876.111 where: short stacking energy: -825.234 Base-Backbone interact. energy: -3.264 local terms energy: -885.210450 where: bonds (distance) C4'-P energy: -163.843 bonds (distance) P-C4' energy: -201.308 flat angles C4'-P-C4' energy: -169.574 flat angles P-C4'-P energy: -114.085 tors. eta vs tors. theta energy: -236.400 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: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2390.264388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.264388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.264388 (E_RNA) where: Base-Base interactions energy: -1562.570 where: short stacking energy: -701.666 Base-Backbone interact. energy: 4.202 local terms energy: -831.897178 where: bonds (distance) C4'-P energy: -168.413 bonds (distance) P-C4' energy: -167.393 flat angles C4'-P-C4' energy: -179.818 flat angles P-C4'-P energy: -128.842 tors. eta vs tors. theta energy: -187.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2115.447058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.447058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.447058 (E_RNA) where: Base-Base interactions energy: -1388.021 where: short stacking energy: -635.199 Base-Backbone interact. energy: 3.189 local terms energy: -730.614981 where: bonds (distance) C4'-P energy: -151.100 bonds (distance) P-C4' energy: -145.018 flat angles C4'-P-C4' energy: -165.919 flat angles P-C4'-P energy: -113.313 tors. eta vs tors. theta energy: -155.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1842.541993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.541993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.541993 (E_RNA) where: Base-Base interactions energy: -1174.461 where: short stacking energy: -498.086 Base-Backbone interact. energy: -0.031 local terms energy: -668.050070 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -164.016 flat angles C4'-P-C4' energy: -153.023 flat angles P-C4'-P energy: -104.716 tors. eta vs tors. theta energy: -108.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1166.095324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.095324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.095324 (E_RNA) where: Base-Base interactions energy: -607.135 where: short stacking energy: -336.896 Base-Backbone interact. energy: -3.149 local terms energy: -555.811376 where: bonds (distance) C4'-P energy: -162.320 bonds (distance) P-C4' energy: -149.863 flat angles C4'-P-C4' energy: -131.005 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -46.197 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: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1012.009254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.009254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.009254 (E_RNA) where: Base-Base interactions energy: -514.127 where: short stacking energy: -266.311 Base-Backbone interact. energy: 0.257 local terms energy: -498.139944 where: bonds (distance) C4'-P energy: -153.289 bonds (distance) P-C4' energy: -155.195 flat angles C4'-P-C4' energy: -118.233 flat angles P-C4'-P energy: -83.702 tors. eta vs tors. theta energy: 12.279 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: 383 Temperature: 1.350000 Total energy: -810.452943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.452943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.452943 (E_RNA) where: Base-Base interactions energy: -336.042 where: short stacking energy: -219.950 Base-Backbone interact. energy: 5.287 local terms energy: -479.697328 where: bonds (distance) C4'-P energy: -127.073 bonds (distance) P-C4' energy: -147.244 flat angles C4'-P-C4' energy: -150.327 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: 7.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3123.814605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.814605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.814605 (E_RNA) where: Base-Base interactions energy: -2115.444 where: short stacking energy: -916.800 Base-Backbone interact. energy: -3.877 local terms energy: -1004.493003 where: bonds (distance) C4'-P energy: -188.825 bonds (distance) P-C4' energy: -177.326 flat angles C4'-P-C4' energy: -218.628 flat angles P-C4'-P energy: -141.724 tors. eta vs tors. theta energy: -277.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3017.622646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.622646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.622646 (E_RNA) where: Base-Base interactions energy: -2109.412 where: short stacking energy: -887.458 Base-Backbone interact. energy: -7.027 local terms energy: -901.184319 where: bonds (distance) C4'-P energy: -170.446 bonds (distance) P-C4' energy: -186.786 flat angles C4'-P-C4' energy: -197.361 flat angles P-C4'-P energy: -110.828 tors. eta vs tors. theta energy: -235.763 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: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2856.471958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.471958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.471958 (E_RNA) where: Base-Base interactions energy: -1925.944 where: short stacking energy: -867.859 Base-Backbone interact. energy: -1.610 local terms energy: -928.917776 where: bonds (distance) C4'-P energy: -151.660 bonds (distance) P-C4' energy: -186.864 flat angles C4'-P-C4' energy: -207.851 flat angles P-C4'-P energy: -130.663 tors. eta vs tors. theta energy: -251.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2726.868952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.868952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.868952 (E_RNA) where: Base-Base interactions energy: -1860.990 where: short stacking energy: -796.435 Base-Backbone interact. energy: -0.583 local terms energy: -865.295915 where: bonds (distance) C4'-P energy: -165.503 bonds (distance) P-C4' energy: -160.144 flat angles C4'-P-C4' energy: -196.062 flat angles P-C4'-P energy: -112.725 tors. eta vs tors. theta energy: -230.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2430.756543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.756543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.756543 (E_RNA) where: Base-Base interactions energy: -1639.169 where: short stacking energy: -705.377 Base-Backbone interact. energy: -0.609 local terms energy: -790.978726 where: bonds (distance) C4'-P energy: -150.428 bonds (distance) P-C4' energy: -163.783 flat angles C4'-P-C4' energy: -181.042 flat angles P-C4'-P energy: -93.550 tors. eta vs tors. theta energy: -202.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2151.086430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.086430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.086430 (E_RNA) where: Base-Base interactions energy: -1406.081 where: short stacking energy: -604.575 Base-Backbone interact. energy: 2.943 local terms energy: -747.948650 where: bonds (distance) C4'-P energy: -151.563 bonds (distance) P-C4' energy: -161.086 flat angles C4'-P-C4' energy: -173.515 flat angles P-C4'-P energy: -105.191 tors. eta vs tors. theta energy: -156.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1825.529028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.529028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.529028 (E_RNA) where: Base-Base interactions energy: -1140.489 where: short stacking energy: -496.730 Base-Backbone interact. energy: 4.475 local terms energy: -689.514932 where: bonds (distance) C4'-P energy: -160.239 bonds (distance) P-C4' energy: -179.665 flat angles C4'-P-C4' energy: -152.788 flat angles P-C4'-P energy: -83.422 tors. eta vs tors. theta energy: -113.401 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: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1252.082714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.082714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.082714 (E_RNA) where: Base-Base interactions energy: -665.103 where: short stacking energy: -334.556 Base-Backbone interact. energy: -4.379 local terms energy: -582.600759 where: bonds (distance) C4'-P energy: -163.788 bonds (distance) P-C4' energy: -153.167 flat angles C4'-P-C4' energy: -156.374 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -32.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1001.397422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.397422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.397422 (E_RNA) where: Base-Base interactions energy: -491.819 where: short stacking energy: -285.611 Base-Backbone interact. energy: 5.515 local terms energy: -515.093375 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -166.766 flat angles C4'-P-C4' energy: -127.904 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -2.356 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: 384 Temperature: 1.350000 Total energy: -798.623110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.623110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.623110 (E_RNA) where: Base-Base interactions energy: -342.190 where: short stacking energy: -216.854 Base-Backbone interact. energy: -0.632 local terms energy: -455.801794 where: bonds (distance) C4'-P energy: -137.428 bonds (distance) P-C4' energy: -129.487 flat angles C4'-P-C4' energy: -111.544 flat angles P-C4'-P energy: -99.576 tors. eta vs tors. theta energy: 22.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3126.089811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.089811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.089811 (E_RNA) where: Base-Base interactions energy: -2110.800 where: short stacking energy: -913.943 Base-Backbone interact. energy: -3.641 local terms energy: -1011.648526 where: bonds (distance) C4'-P energy: -183.088 bonds (distance) P-C4' energy: -191.095 flat angles C4'-P-C4' energy: -218.841 flat angles P-C4'-P energy: -145.026 tors. eta vs tors. theta energy: -273.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3000.241712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.241712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.241712 (E_RNA) where: Base-Base interactions energy: -2102.702 where: short stacking energy: -865.222 Base-Backbone interact. energy: -4.937 local terms energy: -892.602678 where: bonds (distance) C4'-P energy: -164.222 bonds (distance) P-C4' energy: -178.674 flat angles C4'-P-C4' energy: -195.038 flat angles P-C4'-P energy: -117.853 tors. eta vs tors. theta energy: -236.816 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: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2883.892737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.892737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.892737 (E_RNA) where: Base-Base interactions energy: -1968.234 where: short stacking energy: -881.420 Base-Backbone interact. energy: -1.705 local terms energy: -913.953742 where: bonds (distance) C4'-P energy: -151.269 bonds (distance) P-C4' energy: -159.775 flat angles C4'-P-C4' energy: -198.909 flat angles P-C4'-P energy: -132.827 tors. eta vs tors. theta energy: -271.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2711.294101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.294101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.294101 (E_RNA) where: Base-Base interactions energy: -1824.543 where: short stacking energy: -815.340 Base-Backbone interact. energy: -0.101 local terms energy: -886.650462 where: bonds (distance) C4'-P energy: -183.116 bonds (distance) P-C4' energy: -160.711 flat angles C4'-P-C4' energy: -197.178 flat angles P-C4'-P energy: -119.981 tors. eta vs tors. theta energy: -225.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2419.575229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.575229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.575229 (E_RNA) where: Base-Base interactions energy: -1633.870 where: short stacking energy: -715.867 Base-Backbone interact. energy: -3.067 local terms energy: -782.638393 where: bonds (distance) C4'-P energy: -150.924 bonds (distance) P-C4' energy: -160.409 flat angles C4'-P-C4' energy: -173.686 flat angles P-C4'-P energy: -109.288 tors. eta vs tors. theta energy: -188.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2145.750114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.750114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.750114 (E_RNA) where: Base-Base interactions energy: -1422.230 where: short stacking energy: -607.225 Base-Backbone interact. energy: -0.992 local terms energy: -722.527958 where: bonds (distance) C4'-P energy: -169.308 bonds (distance) P-C4' energy: -136.416 flat angles C4'-P-C4' energy: -159.138 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -158.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1806.420786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.420786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.420786 (E_RNA) where: Base-Base interactions energy: -1111.385 where: short stacking energy: -509.066 Base-Backbone interact. energy: -2.230 local terms energy: -692.806376 where: bonds (distance) C4'-P energy: -150.205 bonds (distance) P-C4' energy: -171.431 flat angles C4'-P-C4' energy: -165.844 flat angles P-C4'-P energy: -93.599 tors. eta vs tors. theta energy: -111.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1272.942442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.942442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.942442 (E_RNA) where: Base-Base interactions energy: -673.117 where: short stacking energy: -370.904 Base-Backbone interact. energy: 2.213 local terms energy: -602.038875 where: bonds (distance) C4'-P energy: -148.777 bonds (distance) P-C4' energy: -169.779 flat angles C4'-P-C4' energy: -147.685 flat angles P-C4'-P energy: -90.274 tors. eta vs tors. theta energy: -45.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1048.550333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.550333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.550333 (E_RNA) where: Base-Base interactions energy: -526.020 where: short stacking energy: -291.793 Base-Backbone interact. energy: 1.548 local terms energy: -524.078770 where: bonds (distance) C4'-P energy: -141.045 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -134.130 flat angles P-C4'-P energy: -84.887 tors. eta vs tors. theta energy: -17.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -793.336335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.336335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.336335 (E_RNA) where: Base-Base interactions energy: -324.097 where: short stacking energy: -197.330 Base-Backbone interact. energy: -1.017 local terms energy: -468.221797 where: bonds (distance) C4'-P energy: -152.718 bonds (distance) P-C4' energy: -165.288 flat angles C4'-P-C4' energy: -130.095 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: 31.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3072.331145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.331145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.331145 (E_RNA) where: Base-Base interactions energy: -2106.410 where: short stacking energy: -872.171 Base-Backbone interact. energy: -3.897 local terms energy: -962.024666 where: bonds (distance) C4'-P energy: -176.697 bonds (distance) P-C4' energy: -179.811 flat angles C4'-P-C4' energy: -209.495 flat angles P-C4'-P energy: -148.252 tors. eta vs tors. theta energy: -247.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3033.567444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.567444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.567444 (E_RNA) where: Base-Base interactions energy: -2078.694 where: short stacking energy: -894.736 Base-Backbone interact. energy: -2.106 local terms energy: -952.766498 where: bonds (distance) C4'-P energy: -161.121 bonds (distance) P-C4' energy: -184.226 flat angles C4'-P-C4' energy: -204.283 flat angles P-C4'-P energy: -134.456 tors. eta vs tors. theta energy: -268.682 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: 386 Temperature: 1.000000 Total energy: -2885.895691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.895691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.895691 (E_RNA) where: Base-Base interactions energy: -1946.165 where: short stacking energy: -846.139 Base-Backbone interact. energy: -2.508 local terms energy: -937.222547 where: bonds (distance) C4'-P energy: -151.836 bonds (distance) P-C4' energy: -179.172 flat angles C4'-P-C4' energy: -213.743 flat angles P-C4'-P energy: -131.833 tors. eta vs tors. theta energy: -260.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2734.875598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.875598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.875598 (E_RNA) where: Base-Base interactions energy: -1839.571 where: short stacking energy: -810.378 Base-Backbone interact. energy: -0.167 local terms energy: -895.138431 where: bonds (distance) C4'-P energy: -170.725 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -198.484 flat angles P-C4'-P energy: -132.270 tors. eta vs tors. theta energy: -244.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2411.588382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.588382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.588382 (E_RNA) where: Base-Base interactions energy: -1635.009 where: short stacking energy: -730.773 Base-Backbone interact. energy: -1.514 local terms energy: -775.065640 where: bonds (distance) C4'-P energy: -151.375 bonds (distance) P-C4' energy: -153.225 flat angles C4'-P-C4' energy: -173.494 flat angles P-C4'-P energy: -105.419 tors. eta vs tors. theta energy: -191.553 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: 386 Temperature: 1.150000 Total energy: -2110.360753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.360753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.360753 (E_RNA) where: Base-Base interactions energy: -1429.282 where: short stacking energy: -592.296 Base-Backbone interact. energy: 1.030 local terms energy: -682.109377 where: bonds (distance) C4'-P energy: -141.332 bonds (distance) P-C4' energy: -134.298 flat angles C4'-P-C4' energy: -164.151 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -138.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1839.173298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.173298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.173298 (E_RNA) where: Base-Base interactions energy: -1169.817 where: short stacking energy: -546.642 Base-Backbone interact. energy: 0.782 local terms energy: -670.138728 where: bonds (distance) C4'-P energy: -153.578 bonds (distance) P-C4' energy: -155.982 flat angles C4'-P-C4' energy: -147.417 flat angles P-C4'-P energy: -104.977 tors. eta vs tors. theta energy: -108.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1199.385098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.385098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.385098 (E_RNA) where: Base-Base interactions energy: -657.108 where: short stacking energy: -333.875 Base-Backbone interact. energy: 1.395 local terms energy: -543.671389 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -159.773 flat angles C4'-P-C4' energy: -154.955 flat angles P-C4'-P energy: -77.122 tors. eta vs tors. theta energy: -25.718 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: 386 Temperature: 1.300000 Total energy: -1048.259486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.259486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.259486 (E_RNA) where: Base-Base interactions energy: -519.599 where: short stacking energy: -285.371 Base-Backbone interact. energy: 4.314 local terms energy: -532.974687 where: bonds (distance) C4'-P energy: -152.428 bonds (distance) P-C4' energy: -167.631 flat angles C4'-P-C4' energy: -129.330 flat angles P-C4'-P energy: -84.378 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: 386 Temperature: 1.350000 Total energy: -763.911092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.911092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.911092 (E_RNA) where: Base-Base interactions energy: -301.731 where: short stacking energy: -207.702 Base-Backbone interact. energy: 3.777 local terms energy: -465.956898 where: bonds (distance) C4'-P energy: -145.722 bonds (distance) P-C4' energy: -160.061 flat angles C4'-P-C4' energy: -94.736 flat angles P-C4'-P energy: -84.817 tors. eta vs tors. theta energy: 19.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3068.564825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.564825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.564825 (E_RNA) where: Base-Base interactions energy: -2105.173 where: short stacking energy: -878.644 Base-Backbone interact. energy: -2.784 local terms energy: -960.607108 where: bonds (distance) C4'-P energy: -173.431 bonds (distance) P-C4' energy: -190.818 flat angles C4'-P-C4' energy: -209.087 flat angles P-C4'-P energy: -138.616 tors. eta vs tors. theta energy: -248.655 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: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3066.545487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.545487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.545487 (E_RNA) where: Base-Base interactions energy: -2030.261 where: short stacking energy: -898.923 Base-Backbone interact. energy: -3.446 local terms energy: -1032.837760 where: bonds (distance) C4'-P energy: -197.958 bonds (distance) P-C4' energy: -199.856 flat angles C4'-P-C4' energy: -212.206 flat angles P-C4'-P energy: -136.375 tors. eta vs tors. theta energy: -286.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2928.341785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.341785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.341785 (E_RNA) where: Base-Base interactions energy: -1978.069 where: short stacking energy: -885.168 Base-Backbone interact. energy: -0.774 local terms energy: -949.498022 where: bonds (distance) C4'-P energy: -155.077 bonds (distance) P-C4' energy: -171.792 flat angles C4'-P-C4' energy: -206.439 flat angles P-C4'-P energy: -141.457 tors. eta vs tors. theta energy: -274.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2683.420526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.420526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.420526 (E_RNA) where: Base-Base interactions energy: -1813.642 where: short stacking energy: -788.122 Base-Backbone interact. energy: -0.684 local terms energy: -869.094461 where: bonds (distance) C4'-P energy: -171.041 bonds (distance) P-C4' energy: -170.554 flat angles C4'-P-C4' energy: -197.475 flat angles P-C4'-P energy: -112.235 tors. eta vs tors. theta energy: -217.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2412.950133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.950133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.950133 (E_RNA) where: Base-Base interactions energy: -1604.076 where: short stacking energy: -721.443 Base-Backbone interact. energy: 0.869 local terms energy: -809.742708 where: bonds (distance) C4'-P energy: -138.643 bonds (distance) P-C4' energy: -172.103 flat angles C4'-P-C4' energy: -167.045 flat angles P-C4'-P energy: -127.107 tors. eta vs tors. theta energy: -204.846 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: 387 Temperature: 1.150000 Total energy: -2152.589599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.589599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.589599 (E_RNA) where: Base-Base interactions energy: -1417.374 where: short stacking energy: -608.624 Base-Backbone interact. energy: -4.591 local terms energy: -730.625201 where: bonds (distance) C4'-P energy: -144.768 bonds (distance) P-C4' energy: -160.920 flat angles C4'-P-C4' energy: -168.441 flat angles P-C4'-P energy: -93.166 tors. eta vs tors. theta energy: -163.329 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: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1937.070516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.070516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.070516 (E_RNA) where: Base-Base interactions energy: -1245.207 where: short stacking energy: -519.468 Base-Backbone interact. energy: 3.216 local terms energy: -695.079626 where: bonds (distance) C4'-P energy: -160.103 bonds (distance) P-C4' energy: -153.174 flat angles C4'-P-C4' energy: -164.238 flat angles P-C4'-P energy: -96.342 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: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1244.194048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.194048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.194048 (E_RNA) where: Base-Base interactions energy: -669.388 where: short stacking energy: -324.698 Base-Backbone interact. energy: -3.353 local terms energy: -571.453186 where: bonds (distance) C4'-P energy: -158.756 bonds (distance) P-C4' energy: -161.748 flat angles C4'-P-C4' energy: -137.380 flat angles P-C4'-P energy: -93.043 tors. eta vs tors. theta energy: -20.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1034.596112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.596112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.596112 (E_RNA) where: Base-Base interactions energy: -541.067 where: short stacking energy: -304.192 Base-Backbone interact. energy: 2.571 local terms energy: -496.100099 where: bonds (distance) C4'-P energy: -146.056 bonds (distance) P-C4' energy: -140.833 flat angles C4'-P-C4' energy: -128.309 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -762.645236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.645236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.645236 (E_RNA) where: Base-Base interactions energy: -289.694 where: short stacking energy: -195.552 Base-Backbone interact. energy: 0.565 local terms energy: -473.515540 where: bonds (distance) C4'-P energy: -129.464 bonds (distance) P-C4' energy: -173.602 flat angles C4'-P-C4' energy: -147.822 flat angles P-C4'-P energy: -63.164 tors. eta vs tors. theta energy: 40.536 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: 388 Temperature: 0.900000 Total energy: -3048.761394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.761394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.761394 (E_RNA) where: Base-Base interactions energy: -2112.990 where: short stacking energy: -860.474 Base-Backbone interact. energy: 3.203 local terms energy: -938.975071 where: bonds (distance) C4'-P energy: -170.778 bonds (distance) P-C4' energy: -191.898 flat angles C4'-P-C4' energy: -203.717 flat angles P-C4'-P energy: -131.911 tors. eta vs tors. theta energy: -240.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3025.887889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.887889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.887889 (E_RNA) where: Base-Base interactions energy: -2043.407 where: short stacking energy: -895.408 Base-Backbone interact. energy: -4.093 local terms energy: -978.387959 where: bonds (distance) C4'-P energy: -189.801 bonds (distance) P-C4' energy: -164.744 flat angles C4'-P-C4' energy: -207.827 flat angles P-C4'-P energy: -146.075 tors. eta vs tors. theta energy: -269.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2894.330899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.330899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.330899 (E_RNA) where: Base-Base interactions energy: -1971.858 where: short stacking energy: -898.334 Base-Backbone interact. energy: -1.976 local terms energy: -920.496693 where: bonds (distance) C4'-P energy: -171.949 bonds (distance) P-C4' energy: -164.768 flat angles C4'-P-C4' energy: -184.544 flat angles P-C4'-P energy: -128.435 tors. eta vs tors. theta energy: -270.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2718.547164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.547164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.547164 (E_RNA) where: Base-Base interactions energy: -1839.408 where: short stacking energy: -787.372 Base-Backbone interact. energy: 0.925 local terms energy: -880.063525 where: bonds (distance) C4'-P energy: -178.392 bonds (distance) P-C4' energy: -161.272 flat angles C4'-P-C4' energy: -196.715 flat angles P-C4'-P energy: -112.945 tors. eta vs tors. theta energy: -230.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2414.950836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.950836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.950836 (E_RNA) where: Base-Base interactions energy: -1583.233 where: short stacking energy: -734.938 Base-Backbone interact. energy: -3.561 local terms energy: -828.156258 where: bonds (distance) C4'-P energy: -155.214 bonds (distance) P-C4' energy: -167.005 flat angles C4'-P-C4' energy: -177.285 flat angles P-C4'-P energy: -117.125 tors. eta vs tors. theta energy: -211.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2125.681009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.681009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.681009 (E_RNA) where: Base-Base interactions energy: -1390.305 where: short stacking energy: -615.856 Base-Backbone interact. energy: 1.967 local terms energy: -737.343171 where: bonds (distance) C4'-P energy: -148.706 bonds (distance) P-C4' energy: -169.428 flat angles C4'-P-C4' energy: -160.222 flat angles P-C4'-P energy: -107.596 tors. eta vs tors. theta energy: -151.391 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: 388 Temperature: 1.200000 Total energy: -1837.394421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.394421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.394421 (E_RNA) where: Base-Base interactions energy: -1181.159 where: short stacking energy: -527.904 Base-Backbone interact. energy: -1.686 local terms energy: -654.549208 where: bonds (distance) C4'-P energy: -146.134 bonds (distance) P-C4' energy: -136.216 flat angles C4'-P-C4' energy: -164.918 flat angles P-C4'-P energy: -105.984 tors. eta vs tors. theta energy: -101.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1256.261046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.261046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.261046 (E_RNA) where: Base-Base interactions energy: -674.756 where: short stacking energy: -342.917 Base-Backbone interact. energy: -1.150 local terms energy: -580.354261 where: bonds (distance) C4'-P energy: -139.097 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -151.412 flat angles P-C4'-P energy: -89.951 tors. eta vs tors. theta energy: -44.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1040.824388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.824388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.824388 (E_RNA) where: Base-Base interactions energy: -512.279 where: short stacking energy: -276.389 Base-Backbone interact. energy: 2.940 local terms energy: -531.485746 where: bonds (distance) C4'-P energy: -148.826 bonds (distance) P-C4' energy: -158.967 flat angles C4'-P-C4' energy: -141.680 flat angles P-C4'-P energy: -72.068 tors. eta vs tors. theta energy: -9.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -732.450811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.450811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.450811 (E_RNA) where: Base-Base interactions energy: -264.656 where: short stacking energy: -196.907 Base-Backbone interact. energy: 1.658 local terms energy: -469.452487 where: bonds (distance) C4'-P energy: -145.824 bonds (distance) P-C4' energy: -161.219 flat angles C4'-P-C4' energy: -113.765 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: 29.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3061.339071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.339071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.339071 (E_RNA) where: Base-Base interactions energy: -2097.581 where: short stacking energy: -911.634 Base-Backbone interact. energy: -4.918 local terms energy: -958.840872 where: bonds (distance) C4'-P energy: -178.306 bonds (distance) P-C4' energy: -185.386 flat angles C4'-P-C4' energy: -211.177 flat angles P-C4'-P energy: -131.358 tors. eta vs tors. theta energy: -252.614 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: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3070.079448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.079448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.079448 (E_RNA) where: Base-Base interactions energy: -2104.969 where: short stacking energy: -898.403 Base-Backbone interact. energy: -3.305 local terms energy: -961.805196 where: bonds (distance) C4'-P energy: -177.831 bonds (distance) P-C4' energy: -161.816 flat angles C4'-P-C4' energy: -218.255 flat angles P-C4'-P energy: -142.867 tors. eta vs tors. theta energy: -261.036 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: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2866.037737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.037737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.037737 (E_RNA) where: Base-Base interactions energy: -1960.799 where: short stacking energy: -875.238 Base-Backbone interact. energy: 0.331 local terms energy: -905.569659 where: bonds (distance) C4'-P energy: -161.668 bonds (distance) P-C4' energy: -167.140 flat angles C4'-P-C4' energy: -184.169 flat angles P-C4'-P energy: -131.973 tors. eta vs tors. theta energy: -260.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2730.664897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.664897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.664897 (E_RNA) where: Base-Base interactions energy: -1864.285 where: short stacking energy: -762.710 Base-Backbone interact. energy: 2.564 local terms energy: -868.943884 where: bonds (distance) C4'-P energy: -160.543 bonds (distance) P-C4' energy: -153.257 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -134.605 tors. eta vs tors. theta energy: -239.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2413.783459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.783459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.783459 (E_RNA) where: Base-Base interactions energy: -1580.942 where: short stacking energy: -707.851 Base-Backbone interact. energy: -2.035 local terms energy: -830.806114 where: bonds (distance) C4'-P energy: -151.085 bonds (distance) P-C4' energy: -181.839 flat angles C4'-P-C4' energy: -173.017 flat angles P-C4'-P energy: -123.599 tors. eta vs tors. theta energy: -201.266 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: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2116.044641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.044641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.044641 (E_RNA) where: Base-Base interactions energy: -1362.608 where: short stacking energy: -603.977 Base-Backbone interact. energy: -3.219 local terms energy: -750.218000 where: bonds (distance) C4'-P energy: -161.181 bonds (distance) P-C4' energy: -157.115 flat angles C4'-P-C4' energy: -171.109 flat angles P-C4'-P energy: -111.888 tors. eta vs tors. theta energy: -148.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1901.689121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.689121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.689121 (E_RNA) where: Base-Base interactions energy: -1228.952 where: short stacking energy: -481.460 Base-Backbone interact. energy: 1.520 local terms energy: -674.257626 where: bonds (distance) C4'-P energy: -155.696 bonds (distance) P-C4' energy: -166.465 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -105.032 tors. eta vs tors. theta energy: -95.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1280.803843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.803843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.803843 (E_RNA) where: Base-Base interactions energy: -716.626 where: short stacking energy: -345.225 Base-Backbone interact. energy: -2.993 local terms energy: -561.185637 where: bonds (distance) C4'-P energy: -145.376 bonds (distance) P-C4' energy: -161.705 flat angles C4'-P-C4' energy: -131.626 flat angles P-C4'-P energy: -99.537 tors. eta vs tors. theta energy: -22.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1010.258489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.258489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.258489 (E_RNA) where: Base-Base interactions energy: -464.327 where: short stacking energy: -275.219 Base-Backbone interact. energy: -0.195 local terms energy: -545.736441 where: bonds (distance) C4'-P energy: -155.809 bonds (distance) P-C4' energy: -167.901 flat angles C4'-P-C4' energy: -150.393 flat angles P-C4'-P energy: -66.304 tors. eta vs tors. theta energy: -5.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -735.831162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.831162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.831162 (E_RNA) where: Base-Base interactions energy: -301.407 where: short stacking energy: -222.309 Base-Backbone interact. energy: 7.738 local terms energy: -442.162051 where: bonds (distance) C4'-P energy: -127.589 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: 17.513 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: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3138.848678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.848678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.848678 (E_RNA) where: Base-Base interactions energy: -2140.326 where: short stacking energy: -929.742 Base-Backbone interact. energy: -5.727 local terms energy: -992.795501 where: bonds (distance) C4'-P energy: -185.031 bonds (distance) P-C4' energy: -180.301 flat angles C4'-P-C4' energy: -208.230 flat angles P-C4'-P energy: -153.384 tors. eta vs tors. theta energy: -265.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2992.564267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.564267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.564267 (E_RNA) where: Base-Base interactions energy: -2059.791 where: short stacking energy: -891.968 Base-Backbone interact. energy: -0.761 local terms energy: -932.011777 where: bonds (distance) C4'-P energy: -167.907 bonds (distance) P-C4' energy: -170.750 flat angles C4'-P-C4' energy: -200.652 flat angles P-C4'-P energy: -138.966 tors. eta vs tors. theta energy: -253.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2860.134834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.134834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.134834 (E_RNA) where: Base-Base interactions energy: -1924.171 where: short stacking energy: -886.763 Base-Backbone interact. energy: -1.265 local terms energy: -934.698492 where: bonds (distance) C4'-P energy: -171.152 bonds (distance) P-C4' energy: -170.670 flat angles C4'-P-C4' energy: -201.448 flat angles P-C4'-P energy: -126.885 tors. eta vs tors. theta energy: -264.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2699.293303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.293303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.293303 (E_RNA) where: Base-Base interactions energy: -1898.681 where: short stacking energy: -799.693 Base-Backbone interact. energy: -3.092 local terms energy: -797.520452 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -148.843 flat angles C4'-P-C4' energy: -182.227 flat angles P-C4'-P energy: -109.563 tors. eta vs tors. theta energy: -216.188 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: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2432.507633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.507633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.507633 (E_RNA) where: Base-Base interactions energy: -1631.449 where: short stacking energy: -750.411 Base-Backbone interact. energy: 2.045 local terms energy: -803.103822 where: bonds (distance) C4'-P energy: -163.499 bonds (distance) P-C4' energy: -153.592 flat angles C4'-P-C4' energy: -177.421 flat angles P-C4'-P energy: -102.878 tors. eta vs tors. theta energy: -205.714 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: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2125.862782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.862782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.862782 (E_RNA) where: Base-Base interactions energy: -1389.044 where: short stacking energy: -592.910 Base-Backbone interact. energy: -4.092 local terms energy: -732.726517 where: bonds (distance) C4'-P energy: -167.610 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -179.189 flat angles P-C4'-P energy: -110.231 tors. eta vs tors. theta energy: -130.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1861.854529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.854529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.854529 (E_RNA) where: Base-Base interactions energy: -1205.797 where: short stacking energy: -526.974 Base-Backbone interact. energy: -4.083 local terms energy: -651.974375 where: bonds (distance) C4'-P energy: -136.019 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -158.455 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -107.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1267.379316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.379316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.379316 (E_RNA) where: Base-Base interactions energy: -700.626 where: short stacking energy: -355.435 Base-Backbone interact. energy: 2.752 local terms energy: -569.504782 where: bonds (distance) C4'-P energy: -148.822 bonds (distance) P-C4' energy: -139.059 flat angles C4'-P-C4' energy: -118.586 flat angles P-C4'-P energy: -98.596 tors. eta vs tors. theta energy: -64.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1003.807178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.807178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.807178 (E_RNA) where: Base-Base interactions energy: -462.326 where: short stacking energy: -277.876 Base-Backbone interact. energy: 1.645 local terms energy: -543.126114 where: bonds (distance) C4'-P energy: -142.820 bonds (distance) P-C4' energy: -161.207 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -95.613 tors. eta vs tors. theta energy: -8.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -747.928648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.928648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.928648 (E_RNA) where: Base-Base interactions energy: -257.443 where: short stacking energy: -194.339 Base-Backbone interact. energy: 1.153 local terms energy: -491.639377 where: bonds (distance) C4'-P energy: -137.894 bonds (distance) P-C4' energy: -153.260 flat angles C4'-P-C4' energy: -133.323 flat angles P-C4'-P energy: -75.498 tors. eta vs tors. theta energy: 8.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3123.525161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.525161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.525161 (E_RNA) where: Base-Base interactions energy: -2133.253 where: short stacking energy: -927.133 Base-Backbone interact. energy: -0.736 local terms energy: -989.535934 where: bonds (distance) C4'-P energy: -176.029 bonds (distance) P-C4' energy: -193.490 flat angles C4'-P-C4' energy: -209.088 flat angles P-C4'-P energy: -138.312 tors. eta vs tors. theta energy: -272.618 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: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2951.618040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.618040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.618040 (E_RNA) where: Base-Base interactions energy: -2009.950 where: short stacking energy: -876.326 Base-Backbone interact. energy: 1.096 local terms energy: -942.764806 where: bonds (distance) C4'-P energy: -186.977 bonds (distance) P-C4' energy: -161.270 flat angles C4'-P-C4' energy: -207.302 flat angles P-C4'-P energy: -114.866 tors. eta vs tors. theta energy: -272.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2913.775492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.775492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.775492 (E_RNA) where: Base-Base interactions energy: -2035.497 where: short stacking energy: -847.054 Base-Backbone interact. energy: 5.263 local terms energy: -883.541551 where: bonds (distance) C4'-P energy: -167.294 bonds (distance) P-C4' energy: -169.660 flat angles C4'-P-C4' energy: -190.211 flat angles P-C4'-P energy: -123.127 tors. eta vs tors. theta energy: -233.249 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: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2683.262297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.262297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.262297 (E_RNA) where: Base-Base interactions energy: -1816.304 where: short stacking energy: -777.203 Base-Backbone interact. energy: 1.149 local terms energy: -868.107627 where: bonds (distance) C4'-P energy: -163.879 bonds (distance) P-C4' energy: -177.497 flat angles C4'-P-C4' energy: -186.845 flat angles P-C4'-P energy: -125.105 tors. eta vs tors. theta energy: -214.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2366.942391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.942391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.942391 (E_RNA) where: Base-Base interactions energy: -1602.116 where: short stacking energy: -720.775 Base-Backbone interact. energy: -2.308 local terms energy: -762.517726 where: bonds (distance) C4'-P energy: -148.075 bonds (distance) P-C4' energy: -166.335 flat angles C4'-P-C4' energy: -158.597 flat angles P-C4'-P energy: -92.717 tors. eta vs tors. theta energy: -196.794 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: 391 Temperature: 1.150000 Total energy: -2174.126266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.126266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.126266 (E_RNA) where: Base-Base interactions energy: -1416.790 where: short stacking energy: -608.630 Base-Backbone interact. energy: -2.638 local terms energy: -754.698294 where: bonds (distance) C4'-P energy: -153.946 bonds (distance) P-C4' energy: -169.940 flat angles C4'-P-C4' energy: -181.616 flat angles P-C4'-P energy: -98.859 tors. eta vs tors. theta energy: -150.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1794.108145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.108145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.108145 (E_RNA) where: Base-Base interactions energy: -1163.049 where: short stacking energy: -490.350 Base-Backbone interact. energy: -0.056 local terms energy: -631.002716 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -166.385 flat angles C4'-P-C4' energy: -167.711 flat angles P-C4'-P energy: -81.559 tors. eta vs tors. theta energy: -82.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1188.843997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.843997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.843997 (E_RNA) where: Base-Base interactions energy: -624.875 where: short stacking energy: -297.921 Base-Backbone interact. energy: -2.723 local terms energy: -561.246640 where: bonds (distance) C4'-P energy: -144.834 bonds (distance) P-C4' energy: -166.762 flat angles C4'-P-C4' energy: -154.866 flat angles P-C4'-P energy: -76.598 tors. eta vs tors. theta energy: -18.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -975.536254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.536254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.536254 (E_RNA) where: Base-Base interactions energy: -496.171 where: short stacking energy: -273.302 Base-Backbone interact. energy: 8.798 local terms energy: -488.163623 where: bonds (distance) C4'-P energy: -150.626 bonds (distance) P-C4' energy: -144.674 flat angles C4'-P-C4' energy: -126.654 flat angles P-C4'-P energy: -84.636 tors. eta vs tors. theta energy: 18.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -753.143889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.143889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.143889 (E_RNA) where: Base-Base interactions energy: -311.886 where: short stacking energy: -178.467 Base-Backbone interact. energy: 0.981 local terms energy: -442.239009 where: bonds (distance) C4'-P energy: -124.541 bonds (distance) P-C4' energy: -150.691 flat angles C4'-P-C4' energy: -124.781 flat angles P-C4'-P energy: -86.404 tors. eta vs tors. theta energy: 44.177 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: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3108.931431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.931431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.931431 (E_RNA) where: Base-Base interactions energy: -2138.412 where: short stacking energy: -924.700 Base-Backbone interact. energy: -0.556 local terms energy: -969.963264 where: bonds (distance) C4'-P energy: -173.115 bonds (distance) P-C4' energy: -187.072 flat angles C4'-P-C4' energy: -205.005 flat angles P-C4'-P energy: -137.042 tors. eta vs tors. theta energy: -267.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2952.312359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.312359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.312359 (E_RNA) where: Base-Base interactions energy: -2006.242 where: short stacking energy: -894.597 Base-Backbone interact. energy: -1.774 local terms energy: -944.296758 where: bonds (distance) C4'-P energy: -176.214 bonds (distance) P-C4' energy: -181.570 flat angles C4'-P-C4' energy: -193.743 flat angles P-C4'-P energy: -124.009 tors. eta vs tors. theta energy: -268.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2873.239485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.239485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.239485 (E_RNA) where: Base-Base interactions energy: -1982.718 where: short stacking energy: -833.219 Base-Backbone interact. energy: -4.607 local terms energy: -885.915147 where: bonds (distance) C4'-P energy: -144.243 bonds (distance) P-C4' energy: -176.282 flat angles C4'-P-C4' energy: -205.591 flat angles P-C4'-P energy: -131.879 tors. eta vs tors. theta energy: -227.920 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: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2694.860481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.860481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.860481 (E_RNA) where: Base-Base interactions energy: -1844.893 where: short stacking energy: -780.632 Base-Backbone interact. energy: -4.624 local terms energy: -845.343540 where: bonds (distance) C4'-P energy: -160.396 bonds (distance) P-C4' energy: -179.839 flat angles C4'-P-C4' energy: -168.961 flat angles P-C4'-P energy: -128.482 tors. eta vs tors. theta energy: -207.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2384.912770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.912770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.912770 (E_RNA) where: Base-Base interactions energy: -1557.363 where: short stacking energy: -678.242 Base-Backbone interact. energy: -1.023 local terms energy: -826.526883 where: bonds (distance) C4'-P energy: -167.832 bonds (distance) P-C4' energy: -162.958 flat angles C4'-P-C4' energy: -179.451 flat angles P-C4'-P energy: -121.944 tors. eta vs tors. theta energy: -194.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2190.698863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.698863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.698863 (E_RNA) where: Base-Base interactions energy: -1397.720 where: short stacking energy: -603.557 Base-Backbone interact. energy: -3.436 local terms energy: -789.542711 where: bonds (distance) C4'-P energy: -170.069 bonds (distance) P-C4' energy: -167.353 flat angles C4'-P-C4' energy: -199.499 flat angles P-C4'-P energy: -100.293 tors. eta vs tors. theta energy: -152.329 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: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1819.827786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.827786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.827786 (E_RNA) where: Base-Base interactions energy: -1106.428 where: short stacking energy: -513.940 Base-Backbone interact. energy: 1.207 local terms energy: -714.606278 where: bonds (distance) C4'-P energy: -170.583 bonds (distance) P-C4' energy: -165.786 flat angles C4'-P-C4' energy: -169.588 flat angles P-C4'-P energy: -102.002 tors. eta vs tors. theta energy: -106.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1212.481906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.481906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.481906 (E_RNA) where: Base-Base interactions energy: -638.298 where: short stacking energy: -351.130 Base-Backbone interact. energy: 7.622 local terms energy: -581.805749 where: bonds (distance) C4'-P energy: -133.892 bonds (distance) P-C4' energy: -152.421 flat angles C4'-P-C4' energy: -150.177 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -40.229 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: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -971.173765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.173765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.173765 (E_RNA) where: Base-Base interactions energy: -494.413 where: short stacking energy: -253.011 Base-Backbone interact. energy: 2.168 local terms energy: -478.929041 where: bonds (distance) C4'-P energy: -145.055 bonds (distance) P-C4' energy: -148.240 flat angles C4'-P-C4' energy: -120.983 flat angles P-C4'-P energy: -72.769 tors. eta vs tors. theta energy: 8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -694.755592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.755592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.755592 (E_RNA) where: Base-Base interactions energy: -257.096 where: short stacking energy: -186.482 Base-Backbone interact. energy: 0.914 local terms energy: -438.573644 where: bonds (distance) C4'-P energy: -146.794 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -100.692 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: 25.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3140.893827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.893827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.893827 (E_RNA) where: Base-Base interactions energy: -2143.471 where: short stacking energy: -926.271 Base-Backbone interact. energy: 5.357 local terms energy: -1002.780536 where: bonds (distance) C4'-P energy: -176.800 bonds (distance) P-C4' energy: -196.179 flat angles C4'-P-C4' energy: -212.087 flat angles P-C4'-P energy: -141.010 tors. eta vs tors. theta energy: -276.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2972.813782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.813782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.813782 (E_RNA) where: Base-Base interactions energy: -2005.530 where: short stacking energy: -891.372 Base-Backbone interact. energy: -4.372 local terms energy: -962.911919 where: bonds (distance) C4'-P energy: -161.547 bonds (distance) P-C4' energy: -180.285 flat angles C4'-P-C4' energy: -210.986 flat angles P-C4'-P energy: -145.674 tors. eta vs tors. theta energy: -264.420 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: 393 Temperature: 1.000000 Total energy: -2899.961901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.961901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.961901 (E_RNA) where: Base-Base interactions energy: -1993.808 where: short stacking energy: -821.935 Base-Backbone interact. energy: -5.021 local terms energy: -901.133200 where: bonds (distance) C4'-P energy: -168.004 bonds (distance) P-C4' energy: -188.977 flat angles C4'-P-C4' energy: -183.952 flat angles P-C4'-P energy: -128.411 tors. eta vs tors. theta energy: -231.790 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: 4, replica: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2694.813790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.813790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.813790 (E_RNA) where: Base-Base interactions energy: -1838.522 where: short stacking energy: -788.289 Base-Backbone interact. energy: -2.600 local terms energy: -853.692146 where: bonds (distance) C4'-P energy: -168.247 bonds (distance) P-C4' energy: -165.237 flat angles C4'-P-C4' energy: -177.513 flat angles P-C4'-P energy: -122.557 tors. eta vs tors. theta energy: -220.138 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: 393 Temperature: 1.100000 Total energy: -2316.056411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.056411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.056411 (E_RNA) where: Base-Base interactions energy: -1518.598 where: short stacking energy: -672.922 Base-Backbone interact. energy: -3.097 local terms energy: -794.361253 where: bonds (distance) C4'-P energy: -146.104 bonds (distance) P-C4' energy: -169.372 flat angles C4'-P-C4' energy: -176.708 flat angles P-C4'-P energy: -122.921 tors. eta vs tors. theta energy: -179.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2080.326614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.326614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.326614 (E_RNA) where: Base-Base interactions energy: -1367.124 where: short stacking energy: -579.749 Base-Backbone interact. energy: -1.292 local terms energy: -711.910380 where: bonds (distance) C4'-P energy: -147.392 bonds (distance) P-C4' energy: -157.607 flat angles C4'-P-C4' energy: -166.329 flat angles P-C4'-P energy: -101.413 tors. eta vs tors. theta energy: -139.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1806.205611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.205611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.205611 (E_RNA) where: Base-Base interactions energy: -1176.342 where: short stacking energy: -496.558 Base-Backbone interact. energy: -3.123 local terms energy: -626.741223 where: bonds (distance) C4'-P energy: -109.752 bonds (distance) P-C4' energy: -171.404 flat angles C4'-P-C4' energy: -152.142 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -105.228 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: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1174.573745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.573745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.573745 (E_RNA) where: Base-Base interactions energy: -615.265 where: short stacking energy: -324.101 Base-Backbone interact. energy: -1.774 local terms energy: -557.534146 where: bonds (distance) C4'-P energy: -148.655 bonds (distance) P-C4' energy: -174.482 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: -27.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -973.045866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.045866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.045866 (E_RNA) where: Base-Base interactions energy: -472.661 where: short stacking energy: -276.676 Base-Backbone interact. energy: -0.937 local terms energy: -499.447817 where: bonds (distance) C4'-P energy: -145.119 bonds (distance) P-C4' energy: -159.561 flat angles C4'-P-C4' energy: -123.332 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: 7.652 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: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -727.148667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.148667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.148667 (E_RNA) where: Base-Base interactions energy: -274.116 where: short stacking energy: -201.019 Base-Backbone interact. energy: 3.857 local terms energy: -456.890264 where: bonds (distance) C4'-P energy: -156.815 bonds (distance) P-C4' energy: -130.843 flat angles C4'-P-C4' energy: -125.598 flat angles P-C4'-P energy: -86.520 tors. eta vs tors. theta energy: 42.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3135.528623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.528623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.528623 (E_RNA) where: Base-Base interactions energy: -2148.559 where: short stacking energy: -939.183 Base-Backbone interact. energy: 0.809 local terms energy: -987.778836 where: bonds (distance) C4'-P energy: -191.631 bonds (distance) P-C4' energy: -179.632 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -146.094 tors. eta vs tors. theta energy: -271.875 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: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2986.190950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.190950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.190950 (E_RNA) where: Base-Base interactions energy: -2013.519 where: short stacking energy: -903.927 Base-Backbone interact. energy: -4.433 local terms energy: -968.238602 where: bonds (distance) C4'-P energy: -174.264 bonds (distance) P-C4' energy: -190.535 flat angles C4'-P-C4' energy: -201.932 flat angles P-C4'-P energy: -121.126 tors. eta vs tors. theta energy: -280.381 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: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2867.514655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.514655 (E_RNA) where: Base-Base interactions energy: -1990.708 where: short stacking energy: -806.600 Base-Backbone interact. energy: -6.858 local terms energy: -869.948864 where: bonds (distance) C4'-P energy: -153.336 bonds (distance) P-C4' energy: -166.927 flat angles C4'-P-C4' energy: -190.306 flat angles P-C4'-P energy: -135.423 tors. eta vs tors. theta energy: -223.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2679.669359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.669359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.669359 (E_RNA) where: Base-Base interactions energy: -1782.018 where: short stacking energy: -766.822 Base-Backbone interact. energy: -2.091 local terms energy: -895.560515 where: bonds (distance) C4'-P energy: -171.946 bonds (distance) P-C4' energy: -183.446 flat angles C4'-P-C4' energy: -201.824 flat angles P-C4'-P energy: -118.049 tors. eta vs tors. theta energy: -220.295 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: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2346.777725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.777725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.777725 (E_RNA) where: Base-Base interactions energy: -1547.978 where: short stacking energy: -665.751 Base-Backbone interact. energy: -1.854 local terms energy: -796.945752 where: bonds (distance) C4'-P energy: -174.864 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -193.271 flat angles P-C4'-P energy: -119.730 tors. eta vs tors. theta energy: -159.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2121.474237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.474237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.474237 (E_RNA) where: Base-Base interactions energy: -1432.158 where: short stacking energy: -622.077 Base-Backbone interact. energy: 0.408 local terms energy: -689.724341 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -156.589 flat angles C4'-P-C4' energy: -143.834 flat angles P-C4'-P energy: -114.663 tors. eta vs tors. theta energy: -120.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1807.500129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.500129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.500129 (E_RNA) where: Base-Base interactions energy: -1180.127 where: short stacking energy: -491.368 Base-Backbone interact. energy: 0.490 local terms energy: -627.862558 where: bonds (distance) C4'-P energy: -135.051 bonds (distance) P-C4' energy: -155.379 flat angles C4'-P-C4' energy: -150.830 flat angles P-C4'-P energy: -89.999 tors. eta vs tors. theta energy: -96.605 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: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1176.150379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.150379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.150379 (E_RNA) where: Base-Base interactions energy: -610.858 where: short stacking energy: -351.196 Base-Backbone interact. energy: -0.736 local terms energy: -564.556060 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -165.895 flat angles C4'-P-C4' energy: -133.519 flat angles P-C4'-P energy: -84.862 tors. eta vs tors. theta energy: -32.597 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1091.963079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.963079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.963079 (E_RNA) where: Base-Base interactions energy: -574.259 where: short stacking energy: -306.791 Base-Backbone interact. energy: -0.836 local terms energy: -516.867849 where: bonds (distance) C4'-P energy: -137.329 bonds (distance) P-C4' energy: -158.977 flat angles C4'-P-C4' energy: -132.621 flat angles P-C4'-P energy: -81.815 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -678.006941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.006941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.006941 (E_RNA) where: Base-Base interactions energy: -277.618 where: short stacking energy: -218.210 Base-Backbone interact. energy: 0.544 local terms energy: -400.933428 where: bonds (distance) C4'-P energy: -146.680 bonds (distance) P-C4' energy: -129.475 flat angles C4'-P-C4' energy: -108.043 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: 26.021 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: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3108.665496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.665496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.665496 (E_RNA) where: Base-Base interactions energy: -2083.873 where: short stacking energy: -922.839 Base-Backbone interact. energy: -2.360 local terms energy: -1022.433168 where: bonds (distance) C4'-P energy: -178.281 bonds (distance) P-C4' energy: -197.124 flat angles C4'-P-C4' energy: -219.269 flat angles P-C4'-P energy: -151.802 tors. eta vs tors. theta energy: -275.956 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: 395 Temperature: 0.950000 Total energy: -2996.134594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.134594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.134594 (E_RNA) where: Base-Base interactions energy: -2004.060 where: short stacking energy: -904.891 Base-Backbone interact. energy: -5.147 local terms energy: -986.927685 where: bonds (distance) C4'-P energy: -174.063 bonds (distance) P-C4' energy: -188.669 flat angles C4'-P-C4' energy: -218.015 flat angles P-C4'-P energy: -128.113 tors. eta vs tors. theta energy: -278.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2864.790476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.790476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.790476 (E_RNA) where: Base-Base interactions energy: -1957.499 where: short stacking energy: -833.146 Base-Backbone interact. energy: -2.144 local terms energy: -905.147448 where: bonds (distance) C4'-P energy: -171.354 bonds (distance) P-C4' energy: -166.579 flat angles C4'-P-C4' energy: -201.591 flat angles P-C4'-P energy: -134.679 tors. eta vs tors. theta energy: -230.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2693.270550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.270550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.270550 (E_RNA) where: Base-Base interactions energy: -1844.567 where: short stacking energy: -790.512 Base-Backbone interact. energy: -5.371 local terms energy: -843.332285 where: bonds (distance) C4'-P energy: -154.765 bonds (distance) P-C4' energy: -165.444 flat angles C4'-P-C4' energy: -188.269 flat angles P-C4'-P energy: -117.477 tors. eta vs tors. theta energy: -217.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2312.531690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.531690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.531690 (E_RNA) where: Base-Base interactions energy: -1510.657 where: short stacking energy: -679.840 Base-Backbone interact. energy: -3.027 local terms energy: -798.847988 where: bonds (distance) C4'-P energy: -166.094 bonds (distance) P-C4' energy: -162.857 flat angles C4'-P-C4' energy: -166.698 flat angles P-C4'-P energy: -126.786 tors. eta vs tors. theta energy: -176.413 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: 395 Temperature: 1.150000 Total energy: -2115.548053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.548053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.548053 (E_RNA) where: Base-Base interactions energy: -1377.305 where: short stacking energy: -600.878 Base-Backbone interact. energy: -5.420 local terms energy: -732.822479 where: bonds (distance) C4'-P energy: -151.812 bonds (distance) P-C4' energy: -153.057 flat angles C4'-P-C4' energy: -178.761 flat angles P-C4'-P energy: -99.634 tors. eta vs tors. theta energy: -149.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1855.420185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.420185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.420185 (E_RNA) where: Base-Base interactions energy: -1208.054 where: short stacking energy: -509.846 Base-Backbone interact. energy: 4.400 local terms energy: -651.765679 where: bonds (distance) C4'-P energy: -157.809 bonds (distance) P-C4' energy: -164.342 flat angles C4'-P-C4' energy: -139.477 flat angles P-C4'-P energy: -93.769 tors. eta vs tors. theta energy: -96.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1253.459328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.459328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.459328 (E_RNA) where: Base-Base interactions energy: -688.317 where: short stacking energy: -347.682 Base-Backbone interact. energy: 4.903 local terms energy: -570.046060 where: bonds (distance) C4'-P energy: -147.041 bonds (distance) P-C4' energy: -151.513 flat angles C4'-P-C4' energy: -128.318 flat angles P-C4'-P energy: -101.261 tors. eta vs tors. theta energy: -41.914 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: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1125.307585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.307585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.307585 (E_RNA) where: Base-Base interactions energy: -582.160 where: short stacking energy: -290.831 Base-Backbone interact. energy: 4.582 local terms energy: -547.729966 where: bonds (distance) C4'-P energy: -142.769 bonds (distance) P-C4' energy: -135.032 flat angles C4'-P-C4' energy: -159.823 flat angles P-C4'-P energy: -96.352 tors. eta vs tors. theta energy: -13.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -736.878911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.878911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.878911 (E_RNA) where: Base-Base interactions energy: -293.620 where: short stacking energy: -215.298 Base-Backbone interact. energy: 3.830 local terms energy: -447.089432 where: bonds (distance) C4'-P energy: -151.790 bonds (distance) P-C4' energy: -138.050 flat angles C4'-P-C4' energy: -123.222 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: 33.156 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: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3119.497194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.497194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.497194 (E_RNA) where: Base-Base interactions energy: -2104.107 where: short stacking energy: -912.888 Base-Backbone interact. energy: -3.759 local terms energy: -1011.631900 where: bonds (distance) C4'-P energy: -173.748 bonds (distance) P-C4' energy: -200.372 flat angles C4'-P-C4' energy: -217.496 flat angles P-C4'-P energy: -146.069 tors. eta vs tors. theta energy: -273.948 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: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2968.936657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.936657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.936657 (E_RNA) where: Base-Base interactions energy: -2007.902 where: short stacking energy: -888.094 Base-Backbone interact. energy: -3.210 local terms energy: -957.824535 where: bonds (distance) C4'-P energy: -173.006 bonds (distance) P-C4' energy: -183.888 flat angles C4'-P-C4' energy: -193.767 flat angles P-C4'-P energy: -130.831 tors. eta vs tors. theta energy: -276.333 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: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2882.863380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.863380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.863380 (E_RNA) where: Base-Base interactions energy: -1983.115 where: short stacking energy: -834.243 Base-Backbone interact. energy: -1.074 local terms energy: -898.674683 where: bonds (distance) C4'-P energy: -178.374 bonds (distance) P-C4' energy: -169.394 flat angles C4'-P-C4' energy: -196.938 flat angles P-C4'-P energy: -122.583 tors. eta vs tors. theta energy: -231.387 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: 4, replica: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2658.600338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.600338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.600338 (E_RNA) where: Base-Base interactions energy: -1812.627 where: short stacking energy: -776.988 Base-Backbone interact. energy: -3.480 local terms energy: -842.492795 where: bonds (distance) C4'-P energy: -146.504 bonds (distance) P-C4' energy: -161.762 flat angles C4'-P-C4' energy: -192.042 flat angles P-C4'-P energy: -112.573 tors. eta vs tors. theta energy: -229.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2336.769082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.769082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.769082 (E_RNA) where: Base-Base interactions energy: -1545.809 where: short stacking energy: -672.520 Base-Backbone interact. energy: -6.290 local terms energy: -784.670522 where: bonds (distance) C4'-P energy: -156.647 bonds (distance) P-C4' energy: -181.800 flat angles C4'-P-C4' energy: -152.442 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -174.694 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: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2152.631205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.631205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.631205 (E_RNA) where: Base-Base interactions energy: -1402.094 where: short stacking energy: -603.467 Base-Backbone interact. energy: -0.406 local terms energy: -750.131131 where: bonds (distance) C4'-P energy: -173.415 bonds (distance) P-C4' energy: -168.618 flat angles C4'-P-C4' energy: -151.441 flat angles P-C4'-P energy: -104.086 tors. eta vs tors. theta energy: -152.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1817.215342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.215342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.215342 (E_RNA) where: Base-Base interactions energy: -1155.066 where: short stacking energy: -491.226 Base-Backbone interact. energy: -1.083 local terms energy: -661.066523 where: bonds (distance) C4'-P energy: -142.218 bonds (distance) P-C4' energy: -152.223 flat angles C4'-P-C4' energy: -166.327 flat angles P-C4'-P energy: -116.259 tors. eta vs tors. theta energy: -84.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1311.785447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.785447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.785447 (E_RNA) where: Base-Base interactions energy: -743.731 where: short stacking energy: -360.899 Base-Backbone interact. energy: 5.736 local terms energy: -573.789934 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -158.284 flat angles C4'-P-C4' energy: -137.929 flat angles P-C4'-P energy: -85.671 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: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1044.439950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.439950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.439950 (E_RNA) where: Base-Base interactions energy: -547.770 where: short stacking energy: -297.853 Base-Backbone interact. energy: 0.397 local terms energy: -497.067471 where: bonds (distance) C4'-P energy: -144.104 bonds (distance) P-C4' energy: -138.908 flat angles C4'-P-C4' energy: -142.716 flat angles P-C4'-P energy: -57.279 tors. eta vs tors. theta energy: -14.061 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: 396 Temperature: 1.350000 Total energy: -732.728158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.728158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.728158 (E_RNA) where: Base-Base interactions energy: -279.692 where: short stacking energy: -183.225 Base-Backbone interact. energy: 13.821 local terms energy: -466.857514 where: bonds (distance) C4'-P energy: -134.556 bonds (distance) P-C4' energy: -143.759 flat angles C4'-P-C4' energy: -148.610 flat angles P-C4'-P energy: -69.943 tors. eta vs tors. theta energy: 30.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3099.891518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.891518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.891518 (E_RNA) where: Base-Base interactions energy: -2077.211 where: short stacking energy: -899.178 Base-Backbone interact. energy: -1.000 local terms energy: -1021.680314 where: bonds (distance) C4'-P energy: -192.629 bonds (distance) P-C4' energy: -200.592 flat angles C4'-P-C4' energy: -211.294 flat angles P-C4'-P energy: -151.840 tors. eta vs tors. theta energy: -265.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2990.397796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.397796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.397796 (E_RNA) where: Base-Base interactions energy: -2028.216 where: short stacking energy: -917.408 Base-Backbone interact. energy: -2.997 local terms energy: -959.184106 where: bonds (distance) C4'-P energy: -178.915 bonds (distance) P-C4' energy: -177.192 flat angles C4'-P-C4' energy: -189.102 flat angles P-C4'-P energy: -124.016 tors. eta vs tors. theta energy: -289.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2908.087183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.087183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.087183 (E_RNA) where: Base-Base interactions energy: -1998.147 where: short stacking energy: -819.313 Base-Backbone interact. energy: 1.718 local terms energy: -911.658326 where: bonds (distance) C4'-P energy: -180.581 bonds (distance) P-C4' energy: -173.385 flat angles C4'-P-C4' energy: -189.097 flat angles P-C4'-P energy: -127.894 tors. eta vs tors. theta energy: -240.701 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: 397 Temperature: 1.050000 Total energy: -2681.705493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.705493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.705493 (E_RNA) where: Base-Base interactions energy: -1817.333 where: short stacking energy: -782.397 Base-Backbone interact. energy: -3.024 local terms energy: -861.348424 where: bonds (distance) C4'-P energy: -184.797 bonds (distance) P-C4' energy: -162.587 flat angles C4'-P-C4' energy: -187.100 flat angles P-C4'-P energy: -101.790 tors. eta vs tors. theta energy: -225.075 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: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2342.283355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.283355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.283355 (E_RNA) where: Base-Base interactions energy: -1508.526 where: short stacking energy: -691.392 Base-Backbone interact. energy: -2.814 local terms energy: -830.943780 where: bonds (distance) C4'-P energy: -174.516 bonds (distance) P-C4' energy: -166.155 flat angles C4'-P-C4' energy: -183.235 flat angles P-C4'-P energy: -131.575 tors. eta vs tors. theta energy: -175.462 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: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2195.261547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.261547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.261547 (E_RNA) where: Base-Base interactions energy: -1411.464 where: short stacking energy: -599.671 Base-Backbone interact. energy: -1.046 local terms energy: -782.751210 where: bonds (distance) C4'-P energy: -159.065 bonds (distance) P-C4' energy: -177.260 flat angles C4'-P-C4' energy: -189.987 flat angles P-C4'-P energy: -104.043 tors. eta vs tors. theta energy: -152.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1920.424137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.424137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.424137 (E_RNA) where: Base-Base interactions energy: -1242.714 where: short stacking energy: -548.429 Base-Backbone interact. energy: 5.845 local terms energy: -683.555459 where: bonds (distance) C4'-P energy: -124.322 bonds (distance) P-C4' energy: -183.736 flat angles C4'-P-C4' energy: -158.786 flat angles P-C4'-P energy: -88.874 tors. eta vs tors. theta energy: -127.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1295.239099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.239099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.239099 (E_RNA) where: Base-Base interactions energy: -749.150 where: short stacking energy: -381.574 Base-Backbone interact. energy: 5.070 local terms energy: -551.158785 where: bonds (distance) C4'-P energy: -141.097 bonds (distance) P-C4' energy: -155.433 flat angles C4'-P-C4' energy: -128.099 flat angles P-C4'-P energy: -93.667 tors. eta vs tors. theta energy: -32.862 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: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1013.559067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.559067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.559067 (E_RNA) where: Base-Base interactions energy: -522.333 where: short stacking energy: -308.138 Base-Backbone interact. energy: 4.770 local terms energy: -495.996331 where: bonds (distance) C4'-P energy: -145.615 bonds (distance) P-C4' energy: -155.982 flat angles C4'-P-C4' energy: -129.593 flat angles P-C4'-P energy: -69.493 tors. eta vs tors. theta energy: 4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -737.776965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.776965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.776965 (E_RNA) where: Base-Base interactions energy: -295.467 where: short stacking energy: -212.197 Base-Backbone interact. energy: 0.007 local terms energy: -442.317387 where: bonds (distance) C4'-P energy: -154.750 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -100.878 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: 26.466 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: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3114.441603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.441603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.441603 (E_RNA) where: Base-Base interactions energy: -2131.095 where: short stacking energy: -930.474 Base-Backbone interact. energy: -6.322 local terms energy: -977.025115 where: bonds (distance) C4'-P energy: -177.975 bonds (distance) P-C4' energy: -178.879 flat angles C4'-P-C4' energy: -218.002 flat angles P-C4'-P energy: -132.316 tors. eta vs tors. theta energy: -269.853 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: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2981.291900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.291900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.291900 (E_RNA) where: Base-Base interactions energy: -2003.870 where: short stacking energy: -895.402 Base-Backbone interact. energy: -3.298 local terms energy: -974.123913 where: bonds (distance) C4'-P energy: -182.074 bonds (distance) P-C4' energy: -170.618 flat angles C4'-P-C4' energy: -205.041 flat angles P-C4'-P energy: -145.678 tors. eta vs tors. theta energy: -270.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2855.968608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.968608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.968608 (E_RNA) where: Base-Base interactions energy: -1953.146 where: short stacking energy: -803.272 Base-Backbone interact. energy: 5.975 local terms energy: -908.796927 where: bonds (distance) C4'-P energy: -158.140 bonds (distance) P-C4' energy: -173.857 flat angles C4'-P-C4' energy: -206.225 flat angles P-C4'-P energy: -135.470 tors. eta vs tors. theta energy: -235.105 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: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2670.523989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.523989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.523989 (E_RNA) where: Base-Base interactions energy: -1803.062 where: short stacking energy: -747.023 Base-Backbone interact. energy: -4.576 local terms energy: -862.885965 where: bonds (distance) C4'-P energy: -166.700 bonds (distance) P-C4' energy: -156.589 flat angles C4'-P-C4' energy: -195.345 flat angles P-C4'-P energy: -120.906 tors. eta vs tors. theta energy: -223.346 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: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2318.427043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.427043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.427043 (E_RNA) where: Base-Base interactions energy: -1505.519 where: short stacking energy: -692.267 Base-Backbone interact. energy: -2.981 local terms energy: -809.926860 where: bonds (distance) C4'-P energy: -161.595 bonds (distance) P-C4' energy: -171.380 flat angles C4'-P-C4' energy: -178.846 flat angles P-C4'-P energy: -118.861 tors. eta vs tors. theta energy: -179.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2167.405693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.405693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.405693 (E_RNA) where: Base-Base interactions energy: -1443.791 where: short stacking energy: -626.219 Base-Backbone interact. energy: -0.573 local terms energy: -723.041642 where: bonds (distance) C4'-P energy: -133.827 bonds (distance) P-C4' energy: -162.341 flat angles C4'-P-C4' energy: -167.164 flat angles P-C4'-P energy: -116.289 tors. eta vs tors. theta energy: -143.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1932.032296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.032296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.032296 (E_RNA) where: Base-Base interactions energy: -1247.567 where: short stacking energy: -546.349 Base-Backbone interact. energy: -1.547 local terms energy: -682.917449 where: bonds (distance) C4'-P energy: -166.014 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -156.979 flat angles P-C4'-P energy: -98.208 tors. eta vs tors. theta energy: -122.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1387.687213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.687213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.687213 (E_RNA) where: Base-Base interactions energy: -823.047 where: short stacking energy: -398.812 Base-Backbone interact. energy: -3.710 local terms energy: -560.929949 where: bonds (distance) C4'-P energy: -162.200 bonds (distance) P-C4' energy: -144.638 flat angles C4'-P-C4' energy: -137.109 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -39.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -989.959085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.959085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.959085 (E_RNA) where: Base-Base interactions energy: -479.637 where: short stacking energy: -280.977 Base-Backbone interact. energy: 3.288 local terms energy: -513.609595 where: bonds (distance) C4'-P energy: -159.138 bonds (distance) P-C4' energy: -150.591 flat angles C4'-P-C4' energy: -114.219 flat angles P-C4'-P energy: -99.418 tors. eta vs tors. theta energy: 9.757 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: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -700.927351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.927351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.927351 (E_RNA) where: Base-Base interactions energy: -230.274 where: short stacking energy: -185.281 Base-Backbone interact. energy: 2.428 local terms energy: -473.082006 where: bonds (distance) C4'-P energy: -139.568 bonds (distance) P-C4' energy: -159.087 flat angles C4'-P-C4' energy: -131.864 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: 38.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3103.047012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.047012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.047012 (E_RNA) where: Base-Base interactions energy: -2119.663 where: short stacking energy: -895.859 Base-Backbone interact. energy: -5.073 local terms energy: -978.310869 where: bonds (distance) C4'-P energy: -184.586 bonds (distance) P-C4' energy: -180.414 flat angles C4'-P-C4' energy: -208.227 flat angles P-C4'-P energy: -132.165 tors. eta vs tors. theta energy: -272.919 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: 399 Temperature: 0.950000 Total energy: -2954.497761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.497761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.497761 (E_RNA) where: Base-Base interactions energy: -2020.650 where: short stacking energy: -908.444 Base-Backbone interact. energy: -2.314 local terms energy: -931.533730 where: bonds (distance) C4'-P energy: -166.648 bonds (distance) P-C4' energy: -165.055 flat angles C4'-P-C4' energy: -196.614 flat angles P-C4'-P energy: -123.084 tors. eta vs tors. theta energy: -280.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2861.607105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.607105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.607105 (E_RNA) where: Base-Base interactions energy: -1985.824 where: short stacking energy: -842.384 Base-Backbone interact. energy: 0.300 local terms energy: -876.083286 where: bonds (distance) C4'-P energy: -156.117 bonds (distance) P-C4' energy: -177.613 flat angles C4'-P-C4' energy: -178.234 flat angles P-C4'-P energy: -127.388 tors. eta vs tors. theta energy: -236.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2626.935620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.935620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.935620 (E_RNA) where: Base-Base interactions energy: -1761.543 where: short stacking energy: -748.371 Base-Backbone interact. energy: 6.669 local terms energy: -872.060992 where: bonds (distance) C4'-P energy: -162.706 bonds (distance) P-C4' energy: -162.921 flat angles C4'-P-C4' energy: -201.547 flat angles P-C4'-P energy: -131.468 tors. eta vs tors. theta energy: -213.418 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: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2392.008132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.008132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.008132 (E_RNA) where: Base-Base interactions energy: -1576.519 where: short stacking energy: -711.445 Base-Backbone interact. energy: -1.420 local terms energy: -814.068417 where: bonds (distance) C4'-P energy: -151.537 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -191.369 flat angles P-C4'-P energy: -131.802 tors. eta vs tors. theta energy: -184.336 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: 399 Temperature: 1.150000 Total energy: -2106.042926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.042926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.042926 (E_RNA) where: Base-Base interactions energy: -1396.344 where: short stacking energy: -624.508 Base-Backbone interact. energy: -0.369 local terms energy: -709.329708 where: bonds (distance) C4'-P energy: -171.404 bonds (distance) P-C4' energy: -142.626 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -110.344 tors. eta vs tors. theta energy: -147.053 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: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1963.945146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.945146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.945146 (E_RNA) where: Base-Base interactions energy: -1276.447 where: short stacking energy: -552.180 Base-Backbone interact. energy: -5.372 local terms energy: -682.125895 where: bonds (distance) C4'-P energy: -165.489 bonds (distance) P-C4' energy: -153.455 flat angles C4'-P-C4' energy: -161.036 flat angles P-C4'-P energy: -83.509 tors. eta vs tors. theta energy: -118.636 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: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1387.812678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.812678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.812678 (E_RNA) where: Base-Base interactions energy: -825.561 where: short stacking energy: -400.212 Base-Backbone interact. energy: 3.471 local terms energy: -565.723052 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -150.024 flat angles C4'-P-C4' energy: -159.569 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -45.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -931.694032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.694032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.694032 (E_RNA) where: Base-Base interactions energy: -424.910 where: short stacking energy: -213.162 Base-Backbone interact. energy: -3.337 local terms energy: -503.447288 where: bonds (distance) C4'-P energy: -137.812 bonds (distance) P-C4' energy: -162.596 flat angles C4'-P-C4' energy: -129.288 flat angles P-C4'-P energy: -88.026 tors. eta vs tors. theta energy: 14.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -675.137612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.137612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.137612 (E_RNA) where: Base-Base interactions energy: -263.907 where: short stacking energy: -205.683 Base-Backbone interact. energy: 1.456 local terms energy: -412.686441 where: bonds (distance) C4'-P energy: -117.577 bonds (distance) P-C4' energy: -138.128 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -59.101 tors. eta vs tors. theta energy: 34.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3083.724221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.724221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.724221 (E_RNA) where: Base-Base interactions energy: -2118.590 where: short stacking energy: -919.911 Base-Backbone interact. energy: -3.167 local terms energy: -961.967015 where: bonds (distance) C4'-P energy: -175.365 bonds (distance) P-C4' energy: -173.390 flat angles C4'-P-C4' energy: -208.657 flat angles P-C4'-P energy: -137.574 tors. eta vs tors. theta energy: -266.981 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: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2947.152199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.152199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.152199 (E_RNA) where: Base-Base interactions energy: -2005.372 where: short stacking energy: -890.555 Base-Backbone interact. energy: -0.485 local terms energy: -941.295683 where: bonds (distance) C4'-P energy: -177.730 bonds (distance) P-C4' energy: -164.385 flat angles C4'-P-C4' energy: -202.319 flat angles P-C4'-P energy: -128.014 tors. eta vs tors. theta energy: -268.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2837.051571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.051571 (E_RNA) where: Base-Base interactions energy: -1956.930 where: short stacking energy: -865.978 Base-Backbone interact. energy: -1.549 local terms energy: -878.572087 where: bonds (distance) C4'-P energy: -164.807 bonds (distance) P-C4' energy: -181.086 flat angles C4'-P-C4' energy: -202.874 flat angles P-C4'-P energy: -105.639 tors. eta vs tors. theta energy: -224.165 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: 400 Temperature: 1.050000 Total energy: -2648.751694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.751694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.751694 (E_RNA) where: Base-Base interactions energy: -1794.024 where: short stacking energy: -779.079 Base-Backbone interact. energy: -1.002 local terms energy: -853.725934 where: bonds (distance) C4'-P energy: -156.570 bonds (distance) P-C4' energy: -152.098 flat angles C4'-P-C4' energy: -199.963 flat angles P-C4'-P energy: -114.025 tors. eta vs tors. theta energy: -231.069 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: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2406.514420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.514420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.514420 (E_RNA) where: Base-Base interactions energy: -1593.401 where: short stacking energy: -728.775 Base-Backbone interact. energy: 1.859 local terms energy: -814.972004 where: bonds (distance) C4'-P energy: -149.346 bonds (distance) P-C4' energy: -186.843 flat angles C4'-P-C4' energy: -174.798 flat angles P-C4'-P energy: -101.377 tors. eta vs tors. theta energy: -202.607 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: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2143.899238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.899238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.899238 (E_RNA) where: Base-Base interactions energy: -1393.371 where: short stacking energy: -647.219 Base-Backbone interact. energy: -3.691 local terms energy: -746.837331 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -140.500 flat angles C4'-P-C4' energy: -183.035 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -160.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1983.575881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.575881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.575881 (E_RNA) where: Base-Base interactions energy: -1285.517 where: short stacking energy: -554.016 Base-Backbone interact. energy: -2.681 local terms energy: -695.377459 where: bonds (distance) C4'-P energy: -142.564 bonds (distance) P-C4' energy: -141.959 flat angles C4'-P-C4' energy: -179.486 flat angles P-C4'-P energy: -96.564 tors. eta vs tors. theta energy: -134.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1366.985130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.985130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.985130 (E_RNA) where: Base-Base interactions energy: -747.953 where: short stacking energy: -364.131 Base-Backbone interact. energy: -1.700 local terms energy: -617.331931 where: bonds (distance) C4'-P energy: -127.104 bonds (distance) P-C4' energy: -186.535 flat angles C4'-P-C4' energy: -146.365 flat angles P-C4'-P energy: -102.887 tors. eta vs tors. theta energy: -54.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -937.881593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.881593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.881593 (E_RNA) where: Base-Base interactions energy: -438.698 where: short stacking energy: -265.873 Base-Backbone interact. energy: -0.160 local terms energy: -499.023745 where: bonds (distance) C4'-P energy: -150.164 bonds (distance) P-C4' energy: -164.726 flat angles C4'-P-C4' energy: -119.211 flat angles P-C4'-P energy: -83.630 tors. eta vs tors. theta energy: 18.707 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: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -712.362048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.362048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.362048 (E_RNA) where: Base-Base interactions energy: -235.138 where: short stacking energy: -189.993 Base-Backbone interact. energy: 8.686 local terms energy: -485.910668 where: bonds (distance) C4'-P energy: -145.179 bonds (distance) P-C4' energy: -147.962 flat angles C4'-P-C4' energy: -125.238 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: 32.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3111.154293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.154293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.154293 (E_RNA) where: Base-Base interactions energy: -2148.092 where: short stacking energy: -938.106 Base-Backbone interact. energy: -2.452 local terms energy: -960.609697 where: bonds (distance) C4'-P energy: -168.041 bonds (distance) P-C4' energy: -174.511 flat angles C4'-P-C4' energy: -210.338 flat angles P-C4'-P energy: -142.146 tors. eta vs tors. theta energy: -265.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2971.989607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.989607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.989607 (E_RNA) where: Base-Base interactions energy: -2011.176 where: short stacking energy: -878.463 Base-Backbone interact. energy: -4.143 local terms energy: -956.670594 where: bonds (distance) C4'-P energy: -183.786 bonds (distance) P-C4' energy: -180.610 flat angles C4'-P-C4' energy: -194.609 flat angles P-C4'-P energy: -133.138 tors. eta vs tors. theta energy: -264.528 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: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2865.400609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.400609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.400609 (E_RNA) where: Base-Base interactions energy: -1952.213 where: short stacking energy: -853.085 Base-Backbone interact. energy: -4.266 local terms energy: -908.920683 where: bonds (distance) C4'-P energy: -165.727 bonds (distance) P-C4' energy: -177.396 flat angles C4'-P-C4' energy: -201.345 flat angles P-C4'-P energy: -128.172 tors. eta vs tors. theta energy: -236.280 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: 401 Temperature: 1.050000 Total energy: -2691.532621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.532621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.532621 (E_RNA) where: Base-Base interactions energy: -1795.031 where: short stacking energy: -795.948 Base-Backbone interact. energy: 3.798 local terms energy: -900.299625 where: bonds (distance) C4'-P energy: -148.368 bonds (distance) P-C4' energy: -191.303 flat angles C4'-P-C4' energy: -211.775 flat angles P-C4'-P energy: -117.145 tors. eta vs tors. theta energy: -231.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2439.031043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.031043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.031043 (E_RNA) where: Base-Base interactions energy: -1609.180 where: short stacking energy: -739.261 Base-Backbone interact. energy: -2.058 local terms energy: -827.793161 where: bonds (distance) C4'-P energy: -156.902 bonds (distance) P-C4' energy: -178.499 flat angles C4'-P-C4' energy: -177.640 flat angles P-C4'-P energy: -108.935 tors. eta vs tors. theta energy: -205.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2189.572483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.572483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.572483 (E_RNA) where: Base-Base interactions energy: -1445.688 where: short stacking energy: -636.651 Base-Backbone interact. energy: -1.435 local terms energy: -742.449386 where: bonds (distance) C4'-P energy: -160.370 bonds (distance) P-C4' energy: -169.439 flat angles C4'-P-C4' energy: -170.360 flat angles P-C4'-P energy: -95.018 tors. eta vs tors. theta energy: -147.263 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: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1988.832503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.832503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.832503 (E_RNA) where: Base-Base interactions energy: -1303.069 where: short stacking energy: -558.043 Base-Backbone interact. energy: 5.455 local terms energy: -691.218475 where: bonds (distance) C4'-P energy: -142.524 bonds (distance) P-C4' energy: -162.434 flat angles C4'-P-C4' energy: -160.347 flat angles P-C4'-P energy: -101.621 tors. eta vs tors. theta energy: -124.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1411.969230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.969230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.969230 (E_RNA) where: Base-Base interactions energy: -814.089 where: short stacking energy: -375.065 Base-Backbone interact. energy: -0.022 local terms energy: -597.859095 where: bonds (distance) C4'-P energy: -128.144 bonds (distance) P-C4' energy: -152.473 flat angles C4'-P-C4' energy: -148.741 flat angles P-C4'-P energy: -114.624 tors. eta vs tors. theta energy: -53.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -944.345661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.345661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.345661 (E_RNA) where: Base-Base interactions energy: -437.518 where: short stacking energy: -261.716 Base-Backbone interact. energy: -0.274 local terms energy: -506.554065 where: bonds (distance) C4'-P energy: -154.849 bonds (distance) P-C4' energy: -163.070 flat angles C4'-P-C4' energy: -140.165 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: 20.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -668.977826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.977826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.977826 (E_RNA) where: Base-Base interactions energy: -192.640 where: short stacking energy: -156.687 Base-Backbone interact. energy: 1.120 local terms energy: -477.457823 where: bonds (distance) C4'-P energy: -132.574 bonds (distance) P-C4' energy: -143.706 flat angles C4'-P-C4' energy: -141.880 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: 26.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3103.456459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.456459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.456459 (E_RNA) where: Base-Base interactions energy: -2102.914 where: short stacking energy: -930.043 Base-Backbone interact. energy: -3.623 local terms energy: -996.919599 where: bonds (distance) C4'-P energy: -185.148 bonds (distance) P-C4' energy: -191.648 flat angles C4'-P-C4' energy: -210.447 flat angles P-C4'-P energy: -127.091 tors. eta vs tors. theta energy: -282.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3009.112554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.112554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.112554 (E_RNA) where: Base-Base interactions energy: -2008.112 where: short stacking energy: -890.646 Base-Backbone interact. energy: -5.528 local terms energy: -995.472712 where: bonds (distance) C4'-P energy: -177.699 bonds (distance) P-C4' energy: -192.174 flat angles C4'-P-C4' energy: -207.949 flat angles P-C4'-P energy: -146.069 tors. eta vs tors. theta energy: -271.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2862.327997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.327997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.327997 (E_RNA) where: Base-Base interactions energy: -1965.578 where: short stacking energy: -856.237 Base-Backbone interact. energy: -2.680 local terms energy: -894.069735 where: bonds (distance) C4'-P energy: -186.392 bonds (distance) P-C4' energy: -165.388 flat angles C4'-P-C4' energy: -181.848 flat angles P-C4'-P energy: -116.320 tors. eta vs tors. theta energy: -244.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2693.941517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.941517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.941517 (E_RNA) where: Base-Base interactions energy: -1826.709 where: short stacking energy: -780.711 Base-Backbone interact. energy: 4.959 local terms energy: -872.191881 where: bonds (distance) C4'-P energy: -164.932 bonds (distance) P-C4' energy: -170.831 flat angles C4'-P-C4' energy: -175.859 flat angles P-C4'-P energy: -134.738 tors. eta vs tors. theta energy: -225.832 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: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2410.557761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.557761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.557761 (E_RNA) where: Base-Base interactions energy: -1562.181 where: short stacking energy: -692.075 Base-Backbone interact. energy: -0.263 local terms energy: -848.114032 where: bonds (distance) C4'-P energy: -154.172 bonds (distance) P-C4' energy: -170.265 flat angles C4'-P-C4' energy: -184.140 flat angles P-C4'-P energy: -129.480 tors. eta vs tors. theta energy: -210.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2154.880971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.880971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.880971 (E_RNA) where: Base-Base interactions energy: -1418.793 where: short stacking energy: -616.865 Base-Backbone interact. energy: -4.665 local terms energy: -731.423321 where: bonds (distance) C4'-P energy: -170.114 bonds (distance) P-C4' energy: -158.239 flat angles C4'-P-C4' energy: -173.109 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -145.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2026.891891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.891891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.891891 (E_RNA) where: Base-Base interactions energy: -1364.822 where: short stacking energy: -576.096 Base-Backbone interact. energy: 2.463 local terms energy: -664.532146 where: bonds (distance) C4'-P energy: -138.561 bonds (distance) P-C4' energy: -163.650 flat angles C4'-P-C4' energy: -145.976 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -124.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1285.128859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.128859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.128859 (E_RNA) where: Base-Base interactions energy: -752.189 where: short stacking energy: -353.073 Base-Backbone interact. energy: -1.134 local terms energy: -531.805562 where: bonds (distance) C4'-P energy: -130.544 bonds (distance) P-C4' energy: -138.231 flat angles C4'-P-C4' energy: -141.237 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -47.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -947.048526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.048526 (E_RNA) where: Base-Base interactions energy: -485.078 where: short stacking energy: -274.622 Base-Backbone interact. energy: 8.667 local terms energy: -470.637362 where: bonds (distance) C4'-P energy: -153.005 bonds (distance) P-C4' energy: -133.937 flat angles C4'-P-C4' energy: -119.178 flat angles P-C4'-P energy: -78.467 tors. eta vs tors. theta energy: 13.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -703.976990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.976990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.976990 (E_RNA) where: Base-Base interactions energy: -238.356 where: short stacking energy: -184.367 Base-Backbone interact. energy: -0.448 local terms energy: -465.172754 where: bonds (distance) C4'-P energy: -142.977 bonds (distance) P-C4' energy: -147.202 flat angles C4'-P-C4' energy: -127.669 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: 22.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3129.004603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.004603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.004603 (E_RNA) where: Base-Base interactions energy: -2119.610 where: short stacking energy: -920.509 Base-Backbone interact. energy: 2.863 local terms energy: -1012.257393 where: bonds (distance) C4'-P energy: -199.082 bonds (distance) P-C4' energy: -193.365 flat angles C4'-P-C4' energy: -211.605 flat angles P-C4'-P energy: -136.486 tors. eta vs tors. theta energy: -271.719 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: 403 Temperature: 0.950000 Total energy: -2979.739518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.739518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.739518 (E_RNA) where: Base-Base interactions energy: -1979.516 where: short stacking energy: -903.490 Base-Backbone interact. energy: -1.555 local terms energy: -998.669207 where: bonds (distance) C4'-P energy: -206.714 bonds (distance) P-C4' energy: -178.320 flat angles C4'-P-C4' energy: -208.143 flat angles P-C4'-P energy: -126.867 tors. eta vs tors. theta energy: -278.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2800.696625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.696625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.696625 (E_RNA) where: Base-Base interactions energy: -1890.997 where: short stacking energy: -794.555 Base-Backbone interact. energy: -4.679 local terms energy: -905.020381 where: bonds (distance) C4'-P energy: -172.494 bonds (distance) P-C4' energy: -188.420 flat angles C4'-P-C4' energy: -186.329 flat angles P-C4'-P energy: -124.193 tors. eta vs tors. theta energy: -233.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2685.772725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.772725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.772725 (E_RNA) where: Base-Base interactions energy: -1883.082 where: short stacking energy: -789.795 Base-Backbone interact. energy: 0.685 local terms energy: -803.375428 where: bonds (distance) C4'-P energy: -165.379 bonds (distance) P-C4' energy: -153.585 flat angles C4'-P-C4' energy: -181.265 flat angles P-C4'-P energy: -107.071 tors. eta vs tors. theta energy: -196.075 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: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2375.973493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.973493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.973493 (E_RNA) where: Base-Base interactions energy: -1591.922 where: short stacking energy: -700.784 Base-Backbone interact. energy: -2.768 local terms energy: -781.283795 where: bonds (distance) C4'-P energy: -164.430 bonds (distance) P-C4' energy: -147.351 flat angles C4'-P-C4' energy: -171.356 flat angles P-C4'-P energy: -109.982 tors. eta vs tors. theta energy: -188.165 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: 403 Temperature: 1.150000 Total energy: -2040.879151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.879151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.879151 (E_RNA) where: Base-Base interactions energy: -1311.018 where: short stacking energy: -581.221 Base-Backbone interact. energy: 1.646 local terms energy: -731.506930 where: bonds (distance) C4'-P energy: -151.876 bonds (distance) P-C4' energy: -164.779 flat angles C4'-P-C4' energy: -152.550 flat angles P-C4'-P energy: -115.775 tors. eta vs tors. theta energy: -146.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1941.608220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.608220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.608220 (E_RNA) where: Base-Base interactions energy: -1281.171 where: short stacking energy: -539.359 Base-Backbone interact. energy: 2.208 local terms energy: -662.645494 where: bonds (distance) C4'-P energy: -155.368 bonds (distance) P-C4' energy: -156.792 flat angles C4'-P-C4' energy: -158.147 flat angles P-C4'-P energy: -65.409 tors. eta vs tors. theta energy: -126.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1272.984857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.984857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.984857 (E_RNA) where: Base-Base interactions energy: -694.109 where: short stacking energy: -338.939 Base-Backbone interact. energy: 1.592 local terms energy: -580.468264 where: bonds (distance) C4'-P energy: -154.622 bonds (distance) P-C4' energy: -151.354 flat angles C4'-P-C4' energy: -149.755 flat angles P-C4'-P energy: -93.116 tors. eta vs tors. theta energy: -31.620 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: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -980.700337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.700337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.700337 (E_RNA) where: Base-Base interactions energy: -474.313 where: short stacking energy: -259.940 Base-Backbone interact. energy: -0.939 local terms energy: -505.448648 where: bonds (distance) C4'-P energy: -142.484 bonds (distance) P-C4' energy: -172.856 flat angles C4'-P-C4' energy: -134.592 flat angles P-C4'-P energy: -73.762 tors. eta vs tors. theta energy: 18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -671.262517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.262517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.262517 (E_RNA) where: Base-Base interactions energy: -233.917 where: short stacking energy: -169.749 Base-Backbone interact. energy: 4.375 local terms energy: -441.721211 where: bonds (distance) C4'-P energy: -143.050 bonds (distance) P-C4' energy: -155.107 flat angles C4'-P-C4' energy: -106.803 flat angles P-C4'-P energy: -64.305 tors. eta vs tors. theta energy: 27.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3097.869962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.869962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.869962 (E_RNA) where: Base-Base interactions energy: -2134.225 where: short stacking energy: -933.748 Base-Backbone interact. energy: 2.383 local terms energy: -966.027657 where: bonds (distance) C4'-P energy: -181.054 bonds (distance) P-C4' energy: -175.265 flat angles C4'-P-C4' energy: -205.517 flat angles P-C4'-P energy: -133.291 tors. eta vs tors. theta energy: -270.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2987.703734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.703734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.703734 (E_RNA) where: Base-Base interactions energy: -1989.904 where: short stacking energy: -875.494 Base-Backbone interact. energy: -1.850 local terms energy: -995.950401 where: bonds (distance) C4'-P energy: -195.588 bonds (distance) P-C4' energy: -191.052 flat angles C4'-P-C4' energy: -208.809 flat angles P-C4'-P energy: -135.741 tors. eta vs tors. theta energy: -264.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2806.417281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.417281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.417281 (E_RNA) where: Base-Base interactions energy: -1963.012 where: short stacking energy: -804.286 Base-Backbone interact. energy: -1.792 local terms energy: -841.613201 where: bonds (distance) C4'-P energy: -155.931 bonds (distance) P-C4' energy: -151.388 flat angles C4'-P-C4' energy: -189.234 flat angles P-C4'-P energy: -124.655 tors. eta vs tors. theta energy: -220.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2645.852774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.852774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.852774 (E_RNA) where: Base-Base interactions energy: -1775.916 where: short stacking energy: -767.648 Base-Backbone interact. energy: -0.978 local terms energy: -868.959221 where: bonds (distance) C4'-P energy: -154.146 bonds (distance) P-C4' energy: -183.790 flat angles C4'-P-C4' energy: -193.876 flat angles P-C4'-P energy: -110.279 tors. eta vs tors. theta energy: -226.869 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: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2398.015160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.015160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.015160 (E_RNA) where: Base-Base interactions energy: -1636.814 where: short stacking energy: -705.852 Base-Backbone interact. energy: -0.613 local terms energy: -760.587308 where: bonds (distance) C4'-P energy: -145.950 bonds (distance) P-C4' energy: -150.273 flat angles C4'-P-C4' energy: -171.014 flat angles P-C4'-P energy: -112.803 tors. eta vs tors. theta energy: -180.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2007.268775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.268775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.268775 (E_RNA) where: Base-Base interactions energy: -1281.073 where: short stacking energy: -575.591 Base-Backbone interact. energy: -2.600 local terms energy: -723.595774 where: bonds (distance) C4'-P energy: -150.038 bonds (distance) P-C4' energy: -162.165 flat angles C4'-P-C4' energy: -156.978 flat angles P-C4'-P energy: -124.488 tors. eta vs tors. theta energy: -129.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1872.340131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.340131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.340131 (E_RNA) where: Base-Base interactions energy: -1197.302 where: short stacking energy: -554.761 Base-Backbone interact. energy: -0.101 local terms energy: -674.937220 where: bonds (distance) C4'-P energy: -133.444 bonds (distance) P-C4' energy: -165.228 flat angles C4'-P-C4' energy: -152.640 flat angles P-C4'-P energy: -104.934 tors. eta vs tors. theta energy: -118.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1314.448502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.448502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.448502 (E_RNA) where: Base-Base interactions energy: -741.026 where: short stacking energy: -367.217 Base-Backbone interact. energy: 5.363 local terms energy: -578.786014 where: bonds (distance) C4'-P energy: -149.470 bonds (distance) P-C4' energy: -143.112 flat angles C4'-P-C4' energy: -152.505 flat angles P-C4'-P energy: -106.657 tors. eta vs tors. theta energy: -27.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -947.633874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.633874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.633874 (E_RNA) where: Base-Base interactions energy: -453.402 where: short stacking energy: -231.911 Base-Backbone interact. energy: 0.138 local terms energy: -494.370179 where: bonds (distance) C4'-P energy: -141.373 bonds (distance) P-C4' energy: -156.498 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -79.770 tors. eta vs tors. theta energy: 6.538 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: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -744.271112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.271112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.271112 (E_RNA) where: Base-Base interactions energy: -259.118 where: short stacking energy: -179.897 Base-Backbone interact. energy: -0.489 local terms energy: -484.664262 where: bonds (distance) C4'-P energy: -151.989 bonds (distance) P-C4' energy: -151.618 flat angles C4'-P-C4' energy: -140.840 flat angles P-C4'-P energy: -85.531 tors. eta vs tors. theta energy: 45.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3102.490594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.490594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.490594 (E_RNA) where: Base-Base interactions energy: -2110.488 where: short stacking energy: -936.893 Base-Backbone interact. energy: -1.136 local terms energy: -990.866583 where: bonds (distance) C4'-P energy: -186.977 bonds (distance) P-C4' energy: -185.703 flat angles C4'-P-C4' energy: -214.061 flat angles P-C4'-P energy: -134.062 tors. eta vs tors. theta energy: -270.064 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: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3010.336912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.336912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.336912 (E_RNA) where: Base-Base interactions energy: -2005.839 where: short stacking energy: -906.662 Base-Backbone interact. energy: -2.133 local terms energy: -1002.364538 where: bonds (distance) C4'-P energy: -187.482 bonds (distance) P-C4' energy: -190.793 flat angles C4'-P-C4' energy: -199.504 flat angles P-C4'-P energy: -141.727 tors. eta vs tors. theta energy: -282.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2767.579099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.579099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.579099 (E_RNA) where: Base-Base interactions energy: -1874.275 where: short stacking energy: -798.758 Base-Backbone interact. energy: 2.450 local terms energy: -895.754577 where: bonds (distance) C4'-P energy: -167.803 bonds (distance) P-C4' energy: -175.308 flat angles C4'-P-C4' energy: -199.681 flat angles P-C4'-P energy: -135.020 tors. eta vs tors. theta energy: -217.942 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: 405 Temperature: 1.050000 Total energy: -2629.796712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.796712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.796712 (E_RNA) where: Base-Base interactions energy: -1780.652 where: short stacking energy: -774.405 Base-Backbone interact. energy: -4.252 local terms energy: -844.892546 where: bonds (distance) C4'-P energy: -163.125 bonds (distance) P-C4' energy: -159.324 flat angles C4'-P-C4' energy: -186.535 flat angles P-C4'-P energy: -116.800 tors. eta vs tors. theta energy: -219.108 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: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2443.477739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.477739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.477739 (E_RNA) where: Base-Base interactions energy: -1620.746 where: short stacking energy: -715.396 Base-Backbone interact. energy: 0.448 local terms energy: -823.179108 where: bonds (distance) C4'-P energy: -169.406 bonds (distance) P-C4' energy: -156.750 flat angles C4'-P-C4' energy: -178.352 flat angles P-C4'-P energy: -118.731 tors. eta vs tors. theta energy: -199.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2059.134835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.134835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.134835 (E_RNA) where: Base-Base interactions energy: -1313.495 where: short stacking energy: -566.909 Base-Backbone interact. energy: -5.485 local terms energy: -740.155736 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -163.894 flat angles C4'-P-C4' energy: -174.676 flat angles P-C4'-P energy: -109.939 tors. eta vs tors. theta energy: -140.679 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: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1869.200053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.200053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.200053 (E_RNA) where: Base-Base interactions energy: -1176.676 where: short stacking energy: -492.330 Base-Backbone interact. energy: -2.014 local terms energy: -690.510025 where: bonds (distance) C4'-P energy: -138.981 bonds (distance) P-C4' energy: -158.145 flat angles C4'-P-C4' energy: -171.208 flat angles P-C4'-P energy: -109.226 tors. eta vs tors. theta energy: -112.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1260.880272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.880272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.880272 (E_RNA) where: Base-Base interactions energy: -683.632 where: short stacking energy: -355.339 Base-Backbone interact. energy: -1.303 local terms energy: -575.945512 where: bonds (distance) C4'-P energy: -141.694 bonds (distance) P-C4' energy: -171.705 flat angles C4'-P-C4' energy: -124.761 flat angles P-C4'-P energy: -89.745 tors. eta vs tors. theta energy: -48.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -977.593134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.593134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.593134 (E_RNA) where: Base-Base interactions energy: -466.708 where: short stacking energy: -276.935 Base-Backbone interact. energy: 1.469 local terms energy: -512.354409 where: bonds (distance) C4'-P energy: -153.200 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -129.231 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: 12.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -724.874751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.874751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.874751 (E_RNA) where: Base-Base interactions energy: -266.323 where: short stacking energy: -186.923 Base-Backbone interact. energy: -0.747 local terms energy: -457.805182 where: bonds (distance) C4'-P energy: -133.094 bonds (distance) P-C4' energy: -152.514 flat angles C4'-P-C4' energy: -129.251 flat angles P-C4'-P energy: -63.891 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: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3077.884809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.884809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.884809 (E_RNA) where: Base-Base interactions energy: -2086.087 where: short stacking energy: -900.343 Base-Backbone interact. energy: -3.349 local terms energy: -988.449048 where: bonds (distance) C4'-P energy: -176.501 bonds (distance) P-C4' energy: -188.772 flat angles C4'-P-C4' energy: -205.438 flat angles P-C4'-P energy: -148.175 tors. eta vs tors. theta energy: -269.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2970.871059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.871059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.871059 (E_RNA) where: Base-Base interactions energy: -2003.394 where: short stacking energy: -908.541 Base-Backbone interact. energy: -3.254 local terms energy: -964.222710 where: bonds (distance) C4'-P energy: -175.353 bonds (distance) P-C4' energy: -179.990 flat angles C4'-P-C4' energy: -199.715 flat angles P-C4'-P energy: -126.328 tors. eta vs tors. theta energy: -282.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2833.874652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.874652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.874652 (E_RNA) where: Base-Base interactions energy: -1950.504 where: short stacking energy: -806.687 Base-Backbone interact. energy: -7.047 local terms energy: -876.324233 where: bonds (distance) C4'-P energy: -155.496 bonds (distance) P-C4' energy: -178.359 flat angles C4'-P-C4' energy: -194.973 flat angles P-C4'-P energy: -123.949 tors. eta vs tors. theta energy: -223.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2611.916829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.916829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.916829 (E_RNA) where: Base-Base interactions energy: -1758.869 where: short stacking energy: -748.180 Base-Backbone interact. energy: -2.776 local terms energy: -850.271970 where: bonds (distance) C4'-P energy: -174.249 bonds (distance) P-C4' energy: -164.420 flat angles C4'-P-C4' energy: -174.856 flat angles P-C4'-P energy: -124.339 tors. eta vs tors. theta energy: -212.408 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: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2438.660040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.660040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.660040 (E_RNA) where: Base-Base interactions energy: -1641.847 where: short stacking energy: -759.302 Base-Backbone interact. energy: 1.936 local terms energy: -798.748664 where: bonds (distance) C4'-P energy: -140.141 bonds (distance) P-C4' energy: -167.510 flat angles C4'-P-C4' energy: -178.801 flat angles P-C4'-P energy: -96.721 tors. eta vs tors. theta energy: -215.576 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: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2068.817223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.817223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.817223 (E_RNA) where: Base-Base interactions energy: -1323.145 where: short stacking energy: -606.387 Base-Backbone interact. energy: 3.898 local terms energy: -749.570782 where: bonds (distance) C4'-P energy: -165.006 bonds (distance) P-C4' energy: -141.396 flat angles C4'-P-C4' energy: -167.256 flat angles P-C4'-P energy: -114.094 tors. eta vs tors. theta energy: -161.819 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: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1956.219022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.219022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.219022 (E_RNA) where: Base-Base interactions energy: -1267.014 where: short stacking energy: -509.779 Base-Backbone interact. energy: 4.557 local terms energy: -693.762003 where: bonds (distance) C4'-P energy: -146.371 bonds (distance) P-C4' energy: -166.838 flat angles C4'-P-C4' energy: -166.659 flat angles P-C4'-P energy: -116.440 tors. eta vs tors. theta energy: -97.454 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: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1273.610829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.610829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.610829 (E_RNA) where: Base-Base interactions energy: -691.910 where: short stacking energy: -357.633 Base-Backbone interact. energy: 7.064 local terms energy: -588.763994 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -159.798 flat angles C4'-P-C4' energy: -159.385 flat angles P-C4'-P energy: -102.221 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: 9, replica: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1023.924725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.924725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.924725 (E_RNA) where: Base-Base interactions energy: -510.536 where: short stacking energy: -291.888 Base-Backbone interact. energy: -5.951 local terms energy: -507.438581 where: bonds (distance) C4'-P energy: -149.298 bonds (distance) P-C4' energy: -184.983 flat angles C4'-P-C4' energy: -131.966 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: 5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -774.029343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.029343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.029343 (E_RNA) where: Base-Base interactions energy: -306.848 where: short stacking energy: -207.840 Base-Backbone interact. energy: -0.050 local terms energy: -467.131828 where: bonds (distance) C4'-P energy: -131.011 bonds (distance) P-C4' energy: -144.911 flat angles C4'-P-C4' energy: -140.676 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: 21.104 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: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3078.775461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.775461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.775461 (E_RNA) where: Base-Base interactions energy: -2114.944 where: short stacking energy: -903.558 Base-Backbone interact. energy: -0.841 local terms energy: -962.990074 where: bonds (distance) C4'-P energy: -174.771 bonds (distance) P-C4' energy: -187.209 flat angles C4'-P-C4' energy: -192.678 flat angles P-C4'-P energy: -137.602 tors. eta vs tors. theta energy: -270.731 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: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3000.485740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.485740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.485740 (E_RNA) where: Base-Base interactions energy: -2008.707 where: short stacking energy: -904.205 Base-Backbone interact. energy: -4.633 local terms energy: -987.145479 where: bonds (distance) C4'-P energy: -175.135 bonds (distance) P-C4' energy: -187.492 flat angles C4'-P-C4' energy: -204.693 flat angles P-C4'-P energy: -140.372 tors. eta vs tors. theta energy: -279.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2839.519082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.519082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.519082 (E_RNA) where: Base-Base interactions energy: -1946.223 where: short stacking energy: -844.892 Base-Backbone interact. energy: 1.370 local terms energy: -894.666093 where: bonds (distance) C4'-P energy: -165.722 bonds (distance) P-C4' energy: -172.758 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -128.706 tors. eta vs tors. theta energy: -238.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2644.709792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.709792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.709792 (E_RNA) where: Base-Base interactions energy: -1820.771 where: short stacking energy: -799.818 Base-Backbone interact. energy: -3.865 local terms energy: -820.074308 where: bonds (distance) C4'-P energy: -147.024 bonds (distance) P-C4' energy: -172.561 flat angles C4'-P-C4' energy: -172.572 flat angles P-C4'-P energy: -102.163 tors. eta vs tors. theta energy: -225.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2433.086027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.086027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.086027 (E_RNA) where: Base-Base interactions energy: -1624.309 where: short stacking energy: -729.731 Base-Backbone interact. energy: -1.217 local terms energy: -807.560036 where: bonds (distance) C4'-P energy: -137.774 bonds (distance) P-C4' energy: -174.162 flat angles C4'-P-C4' energy: -175.402 flat angles P-C4'-P energy: -112.425 tors. eta vs tors. theta energy: -207.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2069.866599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.866599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.866599 (E_RNA) where: Base-Base interactions energy: -1312.509 where: short stacking energy: -594.575 Base-Backbone interact. energy: -3.401 local terms energy: -753.956642 where: bonds (distance) C4'-P energy: -170.690 bonds (distance) P-C4' energy: -151.706 flat angles C4'-P-C4' energy: -175.776 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -162.790 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: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1918.283635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.283635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.283635 (E_RNA) where: Base-Base interactions energy: -1185.264 where: short stacking energy: -571.965 Base-Backbone interact. energy: -4.969 local terms energy: -728.050543 where: bonds (distance) C4'-P energy: -149.781 bonds (distance) P-C4' energy: -173.752 flat angles C4'-P-C4' energy: -146.876 flat angles P-C4'-P energy: -109.703 tors. eta vs tors. theta energy: -147.938 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: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1206.598745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.598745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.598745 (E_RNA) where: Base-Base interactions energy: -636.245 where: short stacking energy: -335.130 Base-Backbone interact. energy: 4.511 local terms energy: -574.865004 where: bonds (distance) C4'-P energy: -140.182 bonds (distance) P-C4' energy: -162.717 flat angles C4'-P-C4' energy: -149.083 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -38.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -981.665580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.665580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.665580 (E_RNA) where: Base-Base interactions energy: -467.426 where: short stacking energy: -268.053 Base-Backbone interact. energy: -2.964 local terms energy: -511.275259 where: bonds (distance) C4'-P energy: -135.754 bonds (distance) P-C4' energy: -171.730 flat angles C4'-P-C4' energy: -155.771 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: 3.029 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: 407 Temperature: 1.350000 Total energy: -775.492810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.492810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.492810 (E_RNA) where: Base-Base interactions energy: -300.402 where: short stacking energy: -218.390 Base-Backbone interact. energy: 2.587 local terms energy: -477.677882 where: bonds (distance) C4'-P energy: -144.992 bonds (distance) P-C4' energy: -155.531 flat angles C4'-P-C4' energy: -121.519 flat angles P-C4'-P energy: -81.813 tors. eta vs tors. theta energy: 26.177 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: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3079.327880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.327880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.327880 (E_RNA) where: Base-Base interactions energy: -2091.569 where: short stacking energy: -928.705 Base-Backbone interact. energy: 0.864 local terms energy: -988.622490 where: bonds (distance) C4'-P energy: -182.612 bonds (distance) P-C4' energy: -184.417 flat angles C4'-P-C4' energy: -214.274 flat angles P-C4'-P energy: -134.797 tors. eta vs tors. theta energy: -272.523 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: 408 Temperature: 0.950000 Total energy: -2929.903195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.903195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.903195 (E_RNA) where: Base-Base interactions energy: -1949.494 where: short stacking energy: -895.056 Base-Backbone interact. energy: -3.100 local terms energy: -977.309931 where: bonds (distance) C4'-P energy: -173.269 bonds (distance) P-C4' energy: -190.465 flat angles C4'-P-C4' energy: -202.886 flat angles P-C4'-P energy: -129.711 tors. eta vs tors. theta energy: -280.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2835.004095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.004095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.004095 (E_RNA) where: Base-Base interactions energy: -1954.133 where: short stacking energy: -843.096 Base-Backbone interact. energy: -1.052 local terms energy: -879.819995 where: bonds (distance) C4'-P energy: -172.284 bonds (distance) P-C4' energy: -175.000 flat angles C4'-P-C4' energy: -187.530 flat angles P-C4'-P energy: -116.595 tors. eta vs tors. theta energy: -228.412 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: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2641.720592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.720592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.720592 (E_RNA) where: Base-Base interactions energy: -1796.326 where: short stacking energy: -757.030 Base-Backbone interact. energy: -0.342 local terms energy: -845.052310 where: bonds (distance) C4'-P energy: -146.416 bonds (distance) P-C4' energy: -183.140 flat angles C4'-P-C4' energy: -190.702 flat angles P-C4'-P energy: -102.512 tors. eta vs tors. theta energy: -222.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2436.172522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.172522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.172522 (E_RNA) where: Base-Base interactions energy: -1599.481 where: short stacking energy: -698.553 Base-Backbone interact. energy: -3.420 local terms energy: -833.272119 where: bonds (distance) C4'-P energy: -170.463 bonds (distance) P-C4' energy: -192.065 flat angles C4'-P-C4' energy: -185.832 flat angles P-C4'-P energy: -98.180 tors. eta vs tors. theta energy: -186.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2128.509839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.509839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.509839 (E_RNA) where: Base-Base interactions energy: -1376.378 where: short stacking energy: -571.713 Base-Backbone interact. energy: -2.343 local terms energy: -749.788983 where: bonds (distance) C4'-P energy: -164.551 bonds (distance) P-C4' energy: -168.283 flat angles C4'-P-C4' energy: -163.856 flat angles P-C4'-P energy: -119.893 tors. eta vs tors. theta energy: -133.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1896.742623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.742623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.742623 (E_RNA) where: Base-Base interactions energy: -1200.758 where: short stacking energy: -524.654 Base-Backbone interact. energy: 0.909 local terms energy: -696.893719 where: bonds (distance) C4'-P energy: -147.711 bonds (distance) P-C4' energy: -150.803 flat angles C4'-P-C4' energy: -168.499 flat angles P-C4'-P energy: -102.453 tors. eta vs tors. theta energy: -127.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1231.834092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.834092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.834092 (E_RNA) where: Base-Base interactions energy: -672.879 where: short stacking energy: -365.214 Base-Backbone interact. energy: -3.532 local terms energy: -555.423820 where: bonds (distance) C4'-P energy: -104.258 bonds (distance) P-C4' energy: -155.992 flat angles C4'-P-C4' energy: -156.354 flat angles P-C4'-P energy: -88.747 tors. eta vs tors. theta energy: -50.074 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: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -972.947218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.947218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.947218 (E_RNA) where: Base-Base interactions energy: -448.753 where: short stacking energy: -269.493 Base-Backbone interact. energy: -1.606 local terms energy: -522.587669 where: bonds (distance) C4'-P energy: -149.091 bonds (distance) P-C4' energy: -149.049 flat angles C4'-P-C4' energy: -142.885 flat angles P-C4'-P energy: -89.179 tors. eta vs tors. theta energy: 7.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -755.963773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.963773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.963773 (E_RNA) where: Base-Base interactions energy: -287.997 where: short stacking energy: -173.688 Base-Backbone interact. energy: -1.293 local terms energy: -466.673286 where: bonds (distance) C4'-P energy: -152.887 bonds (distance) P-C4' energy: -175.916 flat angles C4'-P-C4' energy: -107.806 flat angles P-C4'-P energy: -59.279 tors. eta vs tors. theta energy: 29.215 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3085.974999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.974999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.974999 (E_RNA) where: Base-Base interactions energy: -2085.859 where: short stacking energy: -927.242 Base-Backbone interact. energy: 3.267 local terms energy: -1003.383509 where: bonds (distance) C4'-P energy: -170.666 bonds (distance) P-C4' energy: -189.473 flat angles C4'-P-C4' energy: -210.870 flat angles P-C4'-P energy: -141.942 tors. eta vs tors. theta energy: -290.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2976.651341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.651341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.651341 (E_RNA) where: Base-Base interactions energy: -1992.208 where: short stacking energy: -915.495 Base-Backbone interact. energy: -4.709 local terms energy: -979.734391 where: bonds (distance) C4'-P energy: -187.075 bonds (distance) P-C4' energy: -183.195 flat angles C4'-P-C4' energy: -196.244 flat angles P-C4'-P energy: -129.015 tors. eta vs tors. theta energy: -284.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2830.499685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.499685 (E_RNA) where: Base-Base interactions energy: -1925.368 where: short stacking energy: -847.461 Base-Backbone interact. energy: 4.175 local terms energy: -909.306322 where: bonds (distance) C4'-P energy: -172.892 bonds (distance) P-C4' energy: -179.257 flat angles C4'-P-C4' energy: -191.946 flat angles P-C4'-P energy: -134.165 tors. eta vs tors. theta energy: -231.047 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: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2623.528832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.528832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.528832 (E_RNA) where: Base-Base interactions energy: -1760.501 where: short stacking energy: -756.859 Base-Backbone interact. energy: -1.772 local terms energy: -861.256009 where: bonds (distance) C4'-P energy: -165.914 bonds (distance) P-C4' energy: -156.901 flat angles C4'-P-C4' energy: -193.590 flat angles P-C4'-P energy: -128.181 tors. eta vs tors. theta energy: -216.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2385.006645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.006645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.006645 (E_RNA) where: Base-Base interactions energy: -1545.208 where: short stacking energy: -695.545 Base-Backbone interact. energy: 5.915 local terms energy: -845.713728 where: bonds (distance) C4'-P energy: -173.480 bonds (distance) P-C4' energy: -181.904 flat angles C4'-P-C4' energy: -192.395 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -190.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2088.400468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.400468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.400468 (E_RNA) where: Base-Base interactions energy: -1380.656 where: short stacking energy: -595.868 Base-Backbone interact. energy: 0.590 local terms energy: -708.335075 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -168.381 flat angles C4'-P-C4' energy: -160.215 flat angles P-C4'-P energy: -104.123 tors. eta vs tors. theta energy: -129.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1836.331828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.331828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.331828 (E_RNA) where: Base-Base interactions energy: -1166.158 where: short stacking energy: -548.211 Base-Backbone interact. energy: 3.903 local terms energy: -674.076187 where: bonds (distance) C4'-P energy: -156.754 bonds (distance) P-C4' energy: -167.340 flat angles C4'-P-C4' energy: -161.582 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: -99.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1184.831291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.831291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.831291 (E_RNA) where: Base-Base interactions energy: -619.017 where: short stacking energy: -350.650 Base-Backbone interact. energy: -1.491 local terms energy: -564.324047 where: bonds (distance) C4'-P energy: -149.332 bonds (distance) P-C4' energy: -163.110 flat angles C4'-P-C4' energy: -147.446 flat angles P-C4'-P energy: -80.473 tors. eta vs tors. theta energy: -23.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -991.848921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.848921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.848921 (E_RNA) where: Base-Base interactions energy: -453.012 where: short stacking energy: -251.628 Base-Backbone interact. energy: -1.255 local terms energy: -537.582366 where: bonds (distance) C4'-P energy: -138.993 bonds (distance) P-C4' energy: -166.369 flat angles C4'-P-C4' energy: -138.684 flat angles P-C4'-P energy: -77.150 tors. eta vs tors. theta energy: -16.387 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: 409 Temperature: 1.350000 Total energy: -737.315799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.315799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.315799 (E_RNA) where: Base-Base interactions energy: -272.366 where: short stacking energy: -177.802 Base-Backbone interact. energy: 1.371 local terms energy: -466.320629 where: bonds (distance) C4'-P energy: -132.519 bonds (distance) P-C4' energy: -157.217 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -83.776 tors. eta vs tors. theta energy: 33.110 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3057.350582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.350582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.350582 (E_RNA) where: Base-Base interactions energy: -2068.747 where: short stacking energy: -901.326 Base-Backbone interact. energy: -3.966 local terms energy: -984.637544 where: bonds (distance) C4'-P energy: -181.047 bonds (distance) P-C4' energy: -188.719 flat angles C4'-P-C4' energy: -204.906 flat angles P-C4'-P energy: -146.532 tors. eta vs tors. theta energy: -263.434 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: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2973.914175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.914175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.914175 (E_RNA) where: Base-Base interactions energy: -1983.905 where: short stacking energy: -912.020 Base-Backbone interact. energy: 1.003 local terms energy: -991.012098 where: bonds (distance) C4'-P energy: -182.027 bonds (distance) P-C4' energy: -172.588 flat angles C4'-P-C4' energy: -205.827 flat angles P-C4'-P energy: -139.913 tors. eta vs tors. theta energy: -290.658 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: 410 Temperature: 1.000000 Total energy: -2821.789713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.789713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.789713 (E_RNA) where: Base-Base interactions energy: -1928.109 where: short stacking energy: -816.089 Base-Backbone interact. energy: -1.186 local terms energy: -892.495605 where: bonds (distance) C4'-P energy: -164.340 bonds (distance) P-C4' energy: -176.637 flat angles C4'-P-C4' energy: -193.733 flat angles P-C4'-P energy: -114.892 tors. eta vs tors. theta energy: -242.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2696.279559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.279559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.279559 (E_RNA) where: Base-Base interactions energy: -1818.048 where: short stacking energy: -787.878 Base-Backbone interact. energy: -0.853 local terms energy: -877.378617 where: bonds (distance) C4'-P energy: -170.698 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -202.074 flat angles P-C4'-P energy: -118.802 tors. eta vs tors. theta energy: -235.205 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: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2408.016373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.016373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.016373 (E_RNA) where: Base-Base interactions energy: -1603.699 where: short stacking energy: -695.870 Base-Backbone interact. energy: 1.110 local terms energy: -805.427336 where: bonds (distance) C4'-P energy: -160.035 bonds (distance) P-C4' energy: -161.340 flat angles C4'-P-C4' energy: -156.634 flat angles P-C4'-P energy: -128.504 tors. eta vs tors. theta energy: -198.915 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: 410 Temperature: 1.150000 Total energy: -2057.855397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.855397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.855397 (E_RNA) where: Base-Base interactions energy: -1342.115 where: short stacking energy: -582.614 Base-Backbone interact. energy: -1.836 local terms energy: -713.904385 where: bonds (distance) C4'-P energy: -147.753 bonds (distance) P-C4' energy: -158.672 flat angles C4'-P-C4' energy: -171.057 flat angles P-C4'-P energy: -105.905 tors. eta vs tors. theta energy: -130.517 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: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1848.349997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.349997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.349997 (E_RNA) where: Base-Base interactions energy: -1207.584 where: short stacking energy: -541.138 Base-Backbone interact. energy: -1.256 local terms energy: -639.510194 where: bonds (distance) C4'-P energy: -143.764 bonds (distance) P-C4' energy: -138.443 flat angles C4'-P-C4' energy: -145.023 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -116.331 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: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1286.277648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.277648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.277648 (E_RNA) where: Base-Base interactions energy: -711.161 where: short stacking energy: -392.578 Base-Backbone interact. energy: -0.336 local terms energy: -574.781278 where: bonds (distance) C4'-P energy: -141.032 bonds (distance) P-C4' energy: -149.975 flat angles C4'-P-C4' energy: -160.505 flat angles P-C4'-P energy: -81.487 tors. eta vs tors. theta energy: -41.783 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: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1066.366622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.366622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.366622 (E_RNA) where: Base-Base interactions energy: -535.082 where: short stacking energy: -294.769 Base-Backbone interact. energy: 0.924 local terms energy: -532.207974 where: bonds (distance) C4'-P energy: -137.321 bonds (distance) P-C4' energy: -158.052 flat angles C4'-P-C4' energy: -122.689 flat angles P-C4'-P energy: -79.569 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: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -782.012839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.012839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.012839 (E_RNA) where: Base-Base interactions energy: -339.808 where: short stacking energy: -230.423 Base-Backbone interact. energy: 2.642 local terms energy: -444.846667 where: bonds (distance) C4'-P energy: -140.538 bonds (distance) P-C4' energy: -150.642 flat angles C4'-P-C4' energy: -100.632 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: 19.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3076.572710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.572710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.572710 (E_RNA) where: Base-Base interactions energy: -2093.342 where: short stacking energy: -924.769 Base-Backbone interact. energy: 0.024 local terms energy: -983.254894 where: bonds (distance) C4'-P energy: -172.669 bonds (distance) P-C4' energy: -196.647 flat angles C4'-P-C4' energy: -195.971 flat angles P-C4'-P energy: -147.608 tors. eta vs tors. theta energy: -270.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2922.006965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.006965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.006965 (E_RNA) where: Base-Base interactions energy: -1940.152 where: short stacking energy: -894.889 Base-Backbone interact. energy: -3.133 local terms energy: -978.721833 where: bonds (distance) C4'-P energy: -188.654 bonds (distance) P-C4' energy: -191.938 flat angles C4'-P-C4' energy: -189.696 flat angles P-C4'-P energy: -125.808 tors. eta vs tors. theta energy: -282.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2826.535699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.535699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.535699 (E_RNA) where: Base-Base interactions energy: -1933.047 where: short stacking energy: -842.422 Base-Backbone interact. energy: -0.573 local terms energy: -892.914922 where: bonds (distance) C4'-P energy: -167.481 bonds (distance) P-C4' energy: -178.160 flat angles C4'-P-C4' energy: -197.036 flat angles P-C4'-P energy: -119.130 tors. eta vs tors. theta energy: -231.108 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: 4, replica: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2696.245534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.245534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.245534 (E_RNA) where: Base-Base interactions energy: -1833.464 where: short stacking energy: -815.577 Base-Backbone interact. energy: -1.664 local terms energy: -861.118127 where: bonds (distance) C4'-P energy: -167.832 bonds (distance) P-C4' energy: -162.822 flat angles C4'-P-C4' energy: -180.553 flat angles P-C4'-P energy: -120.332 tors. eta vs tors. theta energy: -229.579 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: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2444.861885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.861885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.861885 (E_RNA) where: Base-Base interactions energy: -1648.478 where: short stacking energy: -751.352 Base-Backbone interact. energy: 1.940 local terms energy: -798.323894 where: bonds (distance) C4'-P energy: -142.862 bonds (distance) P-C4' energy: -160.541 flat angles C4'-P-C4' energy: -185.800 flat angles P-C4'-P energy: -105.392 tors. eta vs tors. theta energy: -203.729 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: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2168.288324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.288324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.288324 (E_RNA) where: Base-Base interactions energy: -1417.554 where: short stacking energy: -612.754 Base-Backbone interact. energy: -2.047 local terms energy: -748.687059 where: bonds (distance) C4'-P energy: -161.624 bonds (distance) P-C4' energy: -154.485 flat angles C4'-P-C4' energy: -183.989 flat angles P-C4'-P energy: -99.672 tors. eta vs tors. theta energy: -148.918 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: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1878.413847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.413847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.413847 (E_RNA) where: Base-Base interactions energy: -1178.396 where: short stacking energy: -554.764 Base-Backbone interact. energy: -2.790 local terms energy: -697.228351 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -149.137 flat angles C4'-P-C4' energy: -164.514 flat angles P-C4'-P energy: -97.307 tors. eta vs tors. theta energy: -131.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1226.078336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.078336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.078336 (E_RNA) where: Base-Base interactions energy: -653.348 where: short stacking energy: -340.608 Base-Backbone interact. energy: 1.381 local terms energy: -574.111248 where: bonds (distance) C4'-P energy: -154.505 bonds (distance) P-C4' energy: -162.925 flat angles C4'-P-C4' energy: -146.416 flat angles P-C4'-P energy: -86.218 tors. eta vs tors. theta energy: -24.048 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: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1014.649323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.649323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.649323 (E_RNA) where: Base-Base interactions energy: -488.052 where: short stacking energy: -303.038 Base-Backbone interact. energy: -1.643 local terms energy: -524.954583 where: bonds (distance) C4'-P energy: -144.154 bonds (distance) P-C4' energy: -151.808 flat angles C4'-P-C4' energy: -137.556 flat angles P-C4'-P energy: -59.514 tors. eta vs tors. theta energy: -31.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -763.341521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.341521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.341521 (E_RNA) where: Base-Base interactions energy: -324.441 where: short stacking energy: -229.330 Base-Backbone interact. energy: 4.399 local terms energy: -443.299291 where: bonds (distance) C4'-P energy: -135.182 bonds (distance) P-C4' energy: -152.778 flat angles C4'-P-C4' energy: -110.394 flat angles P-C4'-P energy: -62.508 tors. eta vs tors. theta energy: 17.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3095.977966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.977966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.977966 (E_RNA) where: Base-Base interactions energy: -2095.190 where: short stacking energy: -921.392 Base-Backbone interact. energy: -3.672 local terms energy: -997.116050 where: bonds (distance) C4'-P energy: -168.116 bonds (distance) P-C4' energy: -181.991 flat angles C4'-P-C4' energy: -221.420 flat angles P-C4'-P energy: -150.723 tors. eta vs tors. theta energy: -274.866 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: 412 Temperature: 0.950000 Total energy: -2965.481162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.481162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.481162 (E_RNA) where: Base-Base interactions energy: -2027.444 where: short stacking energy: -930.955 Base-Backbone interact. energy: 2.102 local terms energy: -940.139160 where: bonds (distance) C4'-P energy: -164.701 bonds (distance) P-C4' energy: -171.710 flat angles C4'-P-C4' energy: -199.588 flat angles P-C4'-P energy: -122.014 tors. eta vs tors. theta energy: -282.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2827.758634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.758634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.758634 (E_RNA) where: Base-Base interactions energy: -1934.181 where: short stacking energy: -813.130 Base-Backbone interact. energy: -2.005 local terms energy: -891.572618 where: bonds (distance) C4'-P energy: -152.917 bonds (distance) P-C4' energy: -173.130 flat angles C4'-P-C4' energy: -196.737 flat angles P-C4'-P energy: -133.751 tors. eta vs tors. theta energy: -235.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2638.649692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.649692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.649692 (E_RNA) where: Base-Base interactions energy: -1742.361 where: short stacking energy: -769.330 Base-Backbone interact. energy: -1.070 local terms energy: -895.218552 where: bonds (distance) C4'-P energy: -169.642 bonds (distance) P-C4' energy: -180.498 flat angles C4'-P-C4' energy: -192.490 flat angles P-C4'-P energy: -118.184 tors. eta vs tors. theta energy: -234.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2402.845513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.845513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.845513 (E_RNA) where: Base-Base interactions energy: -1583.449 where: short stacking energy: -700.049 Base-Backbone interact. energy: -1.068 local terms energy: -818.328840 where: bonds (distance) C4'-P energy: -170.147 bonds (distance) P-C4' energy: -161.091 flat angles C4'-P-C4' energy: -180.353 flat angles P-C4'-P energy: -116.067 tors. eta vs tors. theta energy: -190.671 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: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2175.838497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.838497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.838497 (E_RNA) where: Base-Base interactions energy: -1448.862 where: short stacking energy: -608.888 Base-Backbone interact. energy: 1.978 local terms energy: -728.954803 where: bonds (distance) C4'-P energy: -152.229 bonds (distance) P-C4' energy: -159.519 flat angles C4'-P-C4' energy: -171.785 flat angles P-C4'-P energy: -91.222 tors. eta vs tors. theta energy: -154.200 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: 412 Temperature: 1.200000 Total energy: -1802.073767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.073767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.073767 (E_RNA) where: Base-Base interactions energy: -1123.788 where: short stacking energy: -528.991 Base-Backbone interact. energy: -0.969 local terms energy: -677.316979 where: bonds (distance) C4'-P energy: -141.399 bonds (distance) P-C4' energy: -172.785 flat angles C4'-P-C4' energy: -154.010 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -118.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1101.821077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.821077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.821077 (E_RNA) where: Base-Base interactions energy: -564.556 where: short stacking energy: -319.251 Base-Backbone interact. energy: 5.056 local terms energy: -542.320502 where: bonds (distance) C4'-P energy: -139.531 bonds (distance) P-C4' energy: -154.980 flat angles C4'-P-C4' energy: -138.071 flat angles P-C4'-P energy: -83.243 tors. eta vs tors. theta energy: -26.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1072.701894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.701894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.701894 (E_RNA) where: Base-Base interactions energy: -525.815 where: short stacking energy: -268.509 Base-Backbone interact. energy: -0.155 local terms energy: -546.731558 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -166.035 flat angles C4'-P-C4' energy: -148.658 flat angles P-C4'-P energy: -98.546 tors. eta vs tors. theta energy: 18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -714.489395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.489395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.489395 (E_RNA) where: Base-Base interactions energy: -261.191 where: short stacking energy: -168.760 Base-Backbone interact. energy: 1.387 local terms energy: -454.684790 where: bonds (distance) C4'-P energy: -149.145 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -106.145 flat angles P-C4'-P energy: -95.461 tors. eta vs tors. theta energy: 45.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3083.630763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.630763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.630763 (E_RNA) where: Base-Base interactions energy: -2069.837 where: short stacking energy: -929.449 Base-Backbone interact. energy: -6.479 local terms energy: -1007.315412 where: bonds (distance) C4'-P energy: -186.058 bonds (distance) P-C4' energy: -191.434 flat angles C4'-P-C4' energy: -222.793 flat angles P-C4'-P energy: -134.932 tors. eta vs tors. theta energy: -272.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2987.628822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.628822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.628822 (E_RNA) where: Base-Base interactions energy: -2017.758 where: short stacking energy: -913.754 Base-Backbone interact. energy: -2.697 local terms energy: -967.174260 where: bonds (distance) C4'-P energy: -177.282 bonds (distance) P-C4' energy: -178.831 flat angles C4'-P-C4' energy: -204.968 flat angles P-C4'-P energy: -130.786 tors. eta vs tors. theta energy: -275.307 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: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2844.688369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.688369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.688369 (E_RNA) where: Base-Base interactions energy: -1948.176 where: short stacking energy: -831.850 Base-Backbone interact. energy: -0.768 local terms energy: -895.743858 where: bonds (distance) C4'-P energy: -184.818 bonds (distance) P-C4' energy: -172.145 flat angles C4'-P-C4' energy: -191.234 flat angles P-C4'-P energy: -117.903 tors. eta vs tors. theta energy: -229.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2611.086360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.086360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.086360 (E_RNA) where: Base-Base interactions energy: -1765.765 where: short stacking energy: -791.376 Base-Backbone interact. energy: -1.726 local terms energy: -843.595549 where: bonds (distance) C4'-P energy: -155.866 bonds (distance) P-C4' energy: -170.905 flat angles C4'-P-C4' energy: -162.216 flat angles P-C4'-P energy: -121.541 tors. eta vs tors. theta energy: -233.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2373.297303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.297303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.297303 (E_RNA) where: Base-Base interactions energy: -1555.790 where: short stacking energy: -694.362 Base-Backbone interact. energy: -1.352 local terms energy: -816.155972 where: bonds (distance) C4'-P energy: -182.346 bonds (distance) P-C4' energy: -160.101 flat angles C4'-P-C4' energy: -184.911 flat angles P-C4'-P energy: -103.546 tors. eta vs tors. theta energy: -185.252 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2074.781375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.781375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.781375 (E_RNA) where: Base-Base interactions energy: -1338.857 where: short stacking energy: -595.477 Base-Backbone interact. energy: 0.064 local terms energy: -735.988350 where: bonds (distance) C4'-P energy: -147.642 bonds (distance) P-C4' energy: -167.441 flat angles C4'-P-C4' energy: -168.029 flat angles P-C4'-P energy: -111.732 tors. eta vs tors. theta energy: -141.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1809.623577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.623577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.623577 (E_RNA) where: Base-Base interactions energy: -1095.910 where: short stacking energy: -496.230 Base-Backbone interact. energy: 1.812 local terms energy: -715.524646 where: bonds (distance) C4'-P energy: -145.331 bonds (distance) P-C4' energy: -174.385 flat angles C4'-P-C4' energy: -150.789 flat angles P-C4'-P energy: -111.896 tors. eta vs tors. theta energy: -133.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1130.851056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.851056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.851056 (E_RNA) where: Base-Base interactions energy: -588.112 where: short stacking energy: -298.760 Base-Backbone interact. energy: 3.451 local terms energy: -546.190363 where: bonds (distance) C4'-P energy: -126.075 bonds (distance) P-C4' energy: -151.960 flat angles C4'-P-C4' energy: -151.922 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -20.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1096.866722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.866722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.866722 (E_RNA) where: Base-Base interactions energy: -591.736 where: short stacking energy: -321.019 Base-Backbone interact. energy: 2.862 local terms energy: -507.992594 where: bonds (distance) C4'-P energy: -145.884 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -139.428 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -713.885314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.885314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.885314 (E_RNA) where: Base-Base interactions energy: -276.140 where: short stacking energy: -177.832 Base-Backbone interact. energy: 2.021 local terms energy: -439.765687 where: bonds (distance) C4'-P energy: -143.815 bonds (distance) P-C4' energy: -140.714 flat angles C4'-P-C4' energy: -124.869 flat angles P-C4'-P energy: -72.364 tors. eta vs tors. theta energy: 41.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3112.458785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.458785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.458785 (E_RNA) where: Base-Base interactions energy: -2112.669 where: short stacking energy: -923.145 Base-Backbone interact. energy: -0.491 local terms energy: -999.299012 where: bonds (distance) C4'-P energy: -180.421 bonds (distance) P-C4' energy: -179.299 flat angles C4'-P-C4' energy: -214.163 flat angles P-C4'-P energy: -142.037 tors. eta vs tors. theta energy: -283.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2972.653571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.653571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.653571 (E_RNA) where: Base-Base interactions energy: -2022.928 where: short stacking energy: -924.358 Base-Backbone interact. energy: -1.827 local terms energy: -947.898298 where: bonds (distance) C4'-P energy: -170.996 bonds (distance) P-C4' energy: -168.401 flat angles C4'-P-C4' energy: -200.344 flat angles P-C4'-P energy: -122.411 tors. eta vs tors. theta energy: -285.747 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: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2857.715433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.715433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.715433 (E_RNA) where: Base-Base interactions energy: -1937.662 where: short stacking energy: -846.049 Base-Backbone interact. energy: -4.832 local terms energy: -915.221499 where: bonds (distance) C4'-P energy: -160.409 bonds (distance) P-C4' energy: -169.899 flat angles C4'-P-C4' energy: -200.883 flat angles P-C4'-P energy: -148.463 tors. eta vs tors. theta energy: -235.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2670.081415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.081415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.081415 (E_RNA) where: Base-Base interactions energy: -1792.404 where: short stacking energy: -804.246 Base-Backbone interact. energy: -1.027 local terms energy: -876.650265 where: bonds (distance) C4'-P energy: -150.468 bonds (distance) P-C4' energy: -189.939 flat angles C4'-P-C4' energy: -179.960 flat angles P-C4'-P energy: -122.972 tors. eta vs tors. theta energy: -233.311 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: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2437.385855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.385855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.385855 (E_RNA) where: Base-Base interactions energy: -1625.040 where: short stacking energy: -727.706 Base-Backbone interact. energy: -3.894 local terms energy: -808.452103 where: bonds (distance) C4'-P energy: -154.475 bonds (distance) P-C4' energy: -140.348 flat angles C4'-P-C4' energy: -195.395 flat angles P-C4'-P energy: -119.866 tors. eta vs tors. theta energy: -198.368 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: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2172.242591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.242591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.242591 (E_RNA) where: Base-Base interactions energy: -1385.841 where: short stacking energy: -584.589 Base-Backbone interact. energy: -2.172 local terms energy: -784.229788 where: bonds (distance) C4'-P energy: -164.611 bonds (distance) P-C4' energy: -163.861 flat angles C4'-P-C4' energy: -188.697 flat angles P-C4'-P energy: -117.434 tors. eta vs tors. theta energy: -149.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1806.625060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.625060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.625060 (E_RNA) where: Base-Base interactions energy: -1136.071 where: short stacking energy: -516.472 Base-Backbone interact. energy: -0.970 local terms energy: -669.583585 where: bonds (distance) C4'-P energy: -150.383 bonds (distance) P-C4' energy: -154.122 flat angles C4'-P-C4' energy: -150.470 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -124.320 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: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1112.659563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.659563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.659563 (E_RNA) where: Base-Base interactions energy: -541.600 where: short stacking energy: -275.978 Base-Backbone interact. energy: 1.837 local terms energy: -572.895819 where: bonds (distance) C4'-P energy: -158.045 bonds (distance) P-C4' energy: -172.787 flat angles C4'-P-C4' energy: -131.215 flat angles P-C4'-P energy: -99.353 tors. eta vs tors. theta energy: -11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1014.084311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.084311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.084311 (E_RNA) where: Base-Base interactions energy: -515.083 where: short stacking energy: -308.863 Base-Backbone interact. energy: -0.824 local terms energy: -498.177105 where: bonds (distance) C4'-P energy: -119.205 bonds (distance) P-C4' energy: -173.014 flat angles C4'-P-C4' energy: -137.288 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -7.850 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: 414 Temperature: 1.350000 Total energy: -697.028213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.028213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.028213 (E_RNA) where: Base-Base interactions energy: -254.778 where: short stacking energy: -190.000 Base-Backbone interact. energy: 3.612 local terms energy: -445.862616 where: bonds (distance) C4'-P energy: -124.736 bonds (distance) P-C4' energy: -153.470 flat angles C4'-P-C4' energy: -132.132 flat angles P-C4'-P energy: -59.875 tors. eta vs tors. theta energy: 24.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3099.122355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.122355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.122355 (E_RNA) where: Base-Base interactions energy: -2112.805 where: short stacking energy: -933.773 Base-Backbone interact. energy: -2.738 local terms energy: -983.579229 where: bonds (distance) C4'-P energy: -163.149 bonds (distance) P-C4' energy: -189.993 flat angles C4'-P-C4' energy: -204.700 flat angles P-C4'-P energy: -142.608 tors. eta vs tors. theta energy: -283.129 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: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3026.641781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.641781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.641781 (E_RNA) where: Base-Base interactions energy: -2028.088 where: short stacking energy: -924.803 Base-Backbone interact. energy: -3.664 local terms energy: -994.889150 where: bonds (distance) C4'-P energy: -187.985 bonds (distance) P-C4' energy: -183.949 flat angles C4'-P-C4' energy: -197.784 flat angles P-C4'-P energy: -133.085 tors. eta vs tors. theta energy: -292.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2803.002409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.002409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.002409 (E_RNA) where: Base-Base interactions energy: -1905.517 where: short stacking energy: -833.964 Base-Backbone interact. energy: -4.917 local terms energy: -892.567886 where: bonds (distance) C4'-P energy: -183.360 bonds (distance) P-C4' energy: -170.643 flat angles C4'-P-C4' energy: -177.918 flat angles P-C4'-P energy: -124.865 tors. eta vs tors. theta energy: -235.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2583.267956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.267956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.267956 (E_RNA) where: Base-Base interactions energy: -1699.530 where: short stacking energy: -761.635 Base-Backbone interact. energy: -1.261 local terms energy: -882.477521 where: bonds (distance) C4'-P energy: -172.018 bonds (distance) P-C4' energy: -178.489 flat angles C4'-P-C4' energy: -194.262 flat angles P-C4'-P energy: -115.673 tors. eta vs tors. theta energy: -222.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2395.932300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.932300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.932300 (E_RNA) where: Base-Base interactions energy: -1602.258 where: short stacking energy: -704.808 Base-Backbone interact. energy: -0.248 local terms energy: -793.425709 where: bonds (distance) C4'-P energy: -134.082 bonds (distance) P-C4' energy: -173.325 flat angles C4'-P-C4' energy: -190.836 flat angles P-C4'-P energy: -111.869 tors. eta vs tors. theta energy: -183.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2079.775256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.775256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.775256 (E_RNA) where: Base-Base interactions energy: -1373.925 where: short stacking energy: -629.728 Base-Backbone interact. energy: -0.726 local terms energy: -705.125179 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -141.381 flat angles C4'-P-C4' energy: -180.443 flat angles P-C4'-P energy: -103.661 tors. eta vs tors. theta energy: -135.853 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: 415 Temperature: 1.200000 Total energy: -1916.691951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.691951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.691951 (E_RNA) where: Base-Base interactions energy: -1237.596 where: short stacking energy: -557.812 Base-Backbone interact. energy: -0.857 local terms energy: -678.239286 where: bonds (distance) C4'-P energy: -142.225 bonds (distance) P-C4' energy: -128.332 flat angles C4'-P-C4' energy: -170.557 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -132.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1158.089208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.089208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.089208 (E_RNA) where: Base-Base interactions energy: -601.200 where: short stacking energy: -317.201 Base-Backbone interact. energy: 5.035 local terms energy: -561.924032 where: bonds (distance) C4'-P energy: -147.601 bonds (distance) P-C4' energy: -152.418 flat angles C4'-P-C4' energy: -132.128 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -31.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1076.813799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.813799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.813799 (E_RNA) where: Base-Base interactions energy: -537.191 where: short stacking energy: -312.917 Base-Backbone interact. energy: -0.971 local terms energy: -538.651462 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -155.612 flat angles C4'-P-C4' energy: -153.026 flat angles P-C4'-P energy: -81.777 tors. eta vs tors. theta energy: -22.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -668.415449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.415449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.415449 (E_RNA) where: Base-Base interactions energy: -248.016 where: short stacking energy: -193.435 Base-Backbone interact. energy: -3.138 local terms energy: -417.261719 where: bonds (distance) C4'-P energy: -126.589 bonds (distance) P-C4' energy: -143.336 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: 30.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3112.206214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.206214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.206214 (E_RNA) where: Base-Base interactions energy: -2150.517 where: short stacking energy: -959.026 Base-Backbone interact. energy: -0.276 local terms energy: -961.413431 where: bonds (distance) C4'-P energy: -174.753 bonds (distance) P-C4' energy: -176.225 flat angles C4'-P-C4' energy: -199.620 flat angles P-C4'-P energy: -127.539 tors. eta vs tors. theta energy: -283.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2997.017234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.017234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.017234 (E_RNA) where: Base-Base interactions energy: -2013.450 where: short stacking energy: -932.718 Base-Backbone interact. energy: -1.867 local terms energy: -981.700682 where: bonds (distance) C4'-P energy: -172.523 bonds (distance) P-C4' energy: -177.319 flat angles C4'-P-C4' energy: -208.068 flat angles P-C4'-P energy: -140.528 tors. eta vs tors. theta energy: -283.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2833.520714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.520714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.520714 (E_RNA) where: Base-Base interactions energy: -1934.296 where: short stacking energy: -838.216 Base-Backbone interact. energy: 1.184 local terms energy: -900.408562 where: bonds (distance) C4'-P energy: -175.481 bonds (distance) P-C4' energy: -172.400 flat angles C4'-P-C4' energy: -192.965 flat angles P-C4'-P energy: -131.715 tors. eta vs tors. theta energy: -227.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2601.681698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.681698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.681698 (E_RNA) where: Base-Base interactions energy: -1722.040 where: short stacking energy: -758.786 Base-Backbone interact. energy: -3.553 local terms energy: -876.088935 where: bonds (distance) C4'-P energy: -166.770 bonds (distance) P-C4' energy: -182.548 flat angles C4'-P-C4' energy: -191.472 flat angles P-C4'-P energy: -125.127 tors. eta vs tors. theta energy: -210.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2443.753449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.753449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.753449 (E_RNA) where: Base-Base interactions energy: -1630.961 where: short stacking energy: -737.902 Base-Backbone interact. energy: -0.179 local terms energy: -812.613981 where: bonds (distance) C4'-P energy: -151.842 bonds (distance) P-C4' energy: -158.311 flat angles C4'-P-C4' energy: -178.378 flat angles P-C4'-P energy: -113.500 tors. eta vs tors. theta energy: -210.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2059.594210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.594210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.594210 (E_RNA) where: Base-Base interactions energy: -1305.837 where: short stacking energy: -593.069 Base-Backbone interact. energy: 3.995 local terms energy: -757.752661 where: bonds (distance) C4'-P energy: -162.146 bonds (distance) P-C4' energy: -154.825 flat angles C4'-P-C4' energy: -174.465 flat angles P-C4'-P energy: -110.816 tors. eta vs tors. theta energy: -155.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1813.731595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.731595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.731595 (E_RNA) where: Base-Base interactions energy: -1147.227 where: short stacking energy: -510.429 Base-Backbone interact. energy: 1.374 local terms energy: -667.878548 where: bonds (distance) C4'-P energy: -164.880 bonds (distance) P-C4' energy: -157.384 flat angles C4'-P-C4' energy: -161.864 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: -110.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1126.158794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.158794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.158794 (E_RNA) where: Base-Base interactions energy: -568.704 where: short stacking energy: -323.961 Base-Backbone interact. energy: -0.958 local terms energy: -556.496391 where: bonds (distance) C4'-P energy: -141.571 bonds (distance) P-C4' energy: -165.532 flat angles C4'-P-C4' energy: -135.069 flat angles P-C4'-P energy: -85.484 tors. eta vs tors. theta energy: -28.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1106.346473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.346473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.346473 (E_RNA) where: Base-Base interactions energy: -614.086 where: short stacking energy: -288.276 Base-Backbone interact. energy: 5.214 local terms energy: -497.474368 where: bonds (distance) C4'-P energy: -145.082 bonds (distance) P-C4' energy: -160.419 flat angles C4'-P-C4' energy: -116.295 flat angles P-C4'-P energy: -70.110 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -721.413716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.413716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.413716 (E_RNA) where: Base-Base interactions energy: -251.998 where: short stacking energy: -183.102 Base-Backbone interact. energy: 2.630 local terms energy: -472.045284 where: bonds (distance) C4'-P energy: -146.983 bonds (distance) P-C4' energy: -144.755 flat angles C4'-P-C4' energy: -125.640 flat angles P-C4'-P energy: -84.518 tors. eta vs tors. theta energy: 29.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3129.530867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.530867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.530867 (E_RNA) where: Base-Base interactions energy: -2170.177 where: short stacking energy: -954.232 Base-Backbone interact. energy: -3.623 local terms energy: -955.730009 where: bonds (distance) C4'-P energy: -161.314 bonds (distance) P-C4' energy: -159.108 flat angles C4'-P-C4' energy: -206.322 flat angles P-C4'-P energy: -150.745 tors. eta vs tors. theta energy: -278.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2974.612318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.612318 (E_RNA) where: Base-Base interactions energy: -1990.710 where: short stacking energy: -926.519 Base-Backbone interact. energy: -0.374 local terms energy: -983.528160 where: bonds (distance) C4'-P energy: -186.980 bonds (distance) P-C4' energy: -180.892 flat angles C4'-P-C4' energy: -199.512 flat angles P-C4'-P energy: -135.042 tors. eta vs tors. theta energy: -281.102 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: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2849.112535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.112535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.112535 (E_RNA) where: Base-Base interactions energy: -1939.872 where: short stacking energy: -823.235 Base-Backbone interact. energy: 2.920 local terms energy: -912.160403 where: bonds (distance) C4'-P energy: -180.573 bonds (distance) P-C4' energy: -168.861 flat angles C4'-P-C4' energy: -188.701 flat angles P-C4'-P energy: -135.790 tors. eta vs tors. theta energy: -238.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2564.393427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.393427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.393427 (E_RNA) where: Base-Base interactions energy: -1721.811 where: short stacking energy: -766.726 Base-Backbone interact. energy: -2.108 local terms energy: -840.474549 where: bonds (distance) C4'-P energy: -166.998 bonds (distance) P-C4' energy: -160.921 flat angles C4'-P-C4' energy: -172.197 flat angles P-C4'-P energy: -115.690 tors. eta vs tors. theta energy: -224.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2490.370043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.370043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.370043 (E_RNA) where: Base-Base interactions energy: -1651.654 where: short stacking energy: -717.969 Base-Backbone interact. energy: -0.083 local terms energy: -838.633653 where: bonds (distance) C4'-P energy: -158.371 bonds (distance) P-C4' energy: -181.183 flat angles C4'-P-C4' energy: -180.452 flat angles P-C4'-P energy: -110.257 tors. eta vs tors. theta energy: -208.371 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2055.632167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.632167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.632167 (E_RNA) where: Base-Base interactions energy: -1360.457 where: short stacking energy: -574.042 Base-Backbone interact. energy: -0.998 local terms energy: -694.176737 where: bonds (distance) C4'-P energy: -137.829 bonds (distance) P-C4' energy: -155.979 flat angles C4'-P-C4' energy: -156.897 flat angles P-C4'-P energy: -114.038 tors. eta vs tors. theta energy: -129.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1777.555931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.555931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.555931 (E_RNA) where: Base-Base interactions energy: -1126.491 where: short stacking energy: -505.722 Base-Backbone interact. energy: 1.352 local terms energy: -652.416783 where: bonds (distance) C4'-P energy: -135.031 bonds (distance) P-C4' energy: -158.609 flat angles C4'-P-C4' energy: -165.395 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -114.096 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: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1206.347554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.347554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.347554 (E_RNA) where: Base-Base interactions energy: -659.975 where: short stacking energy: -312.272 Base-Backbone interact. energy: -2.677 local terms energy: -543.696061 where: bonds (distance) C4'-P energy: -136.300 bonds (distance) P-C4' energy: -150.079 flat angles C4'-P-C4' energy: -148.357 flat angles P-C4'-P energy: -81.447 tors. eta vs tors. theta energy: -27.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1019.657901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.657901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.657901 (E_RNA) where: Base-Base interactions energy: -499.882 where: short stacking energy: -296.690 Base-Backbone interact. energy: 1.840 local terms energy: -521.615848 where: bonds (distance) C4'-P energy: -148.473 bonds (distance) P-C4' energy: -147.017 flat angles C4'-P-C4' energy: -141.959 flat angles P-C4'-P energy: -72.062 tors. eta vs tors. theta energy: -12.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -658.092177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.092177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.092177 (E_RNA) where: Base-Base interactions energy: -200.266 where: short stacking energy: -169.409 Base-Backbone interact. energy: 4.513 local terms energy: -462.339732 where: bonds (distance) C4'-P energy: -143.789 bonds (distance) P-C4' energy: -144.322 flat angles C4'-P-C4' energy: -116.788 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: 20.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3156.525186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.525186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.525186 (E_RNA) where: Base-Base interactions energy: -2167.751 where: short stacking energy: -960.381 Base-Backbone interact. energy: -0.152 local terms energy: -988.622416 where: bonds (distance) C4'-P energy: -170.569 bonds (distance) P-C4' energy: -183.935 flat angles C4'-P-C4' energy: -201.066 flat angles P-C4'-P energy: -149.183 tors. eta vs tors. theta energy: -283.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2982.638150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.638150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.638150 (E_RNA) where: Base-Base interactions energy: -2014.213 where: short stacking energy: -914.857 Base-Backbone interact. energy: 1.999 local terms energy: -970.424298 where: bonds (distance) C4'-P energy: -170.472 bonds (distance) P-C4' energy: -197.302 flat angles C4'-P-C4' energy: -198.265 flat angles P-C4'-P energy: -134.703 tors. eta vs tors. theta energy: -269.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2838.380009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.380009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.380009 (E_RNA) where: Base-Base interactions energy: -1916.585 where: short stacking energy: -841.366 Base-Backbone interact. energy: -5.314 local terms energy: -916.481135 where: bonds (distance) C4'-P energy: -175.515 bonds (distance) P-C4' energy: -157.386 flat angles C4'-P-C4' energy: -205.928 flat angles P-C4'-P energy: -137.567 tors. eta vs tors. theta energy: -240.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2602.331655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.331655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.331655 (E_RNA) where: Base-Base interactions energy: -1771.510 where: short stacking energy: -778.092 Base-Backbone interact. energy: 0.056 local terms energy: -830.877836 where: bonds (distance) C4'-P energy: -169.734 bonds (distance) P-C4' energy: -168.049 flat angles C4'-P-C4' energy: -188.722 flat angles P-C4'-P energy: -97.217 tors. eta vs tors. theta energy: -207.156 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2477.326539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.326539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.326539 (E_RNA) where: Base-Base interactions energy: -1649.269 where: short stacking energy: -720.728 Base-Backbone interact. energy: -4.810 local terms energy: -823.248107 where: bonds (distance) C4'-P energy: -165.619 bonds (distance) P-C4' energy: -150.034 flat angles C4'-P-C4' energy: -190.477 flat angles P-C4'-P energy: -120.113 tors. eta vs tors. theta energy: -197.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2034.150342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.150342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.150342 (E_RNA) where: Base-Base interactions energy: -1332.938 where: short stacking energy: -575.278 Base-Backbone interact. energy: -2.529 local terms energy: -698.683142 where: bonds (distance) C4'-P energy: -160.582 bonds (distance) P-C4' energy: -142.000 flat angles C4'-P-C4' energy: -175.465 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -124.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1767.111004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.111004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.111004 (E_RNA) where: Base-Base interactions energy: -1067.366 where: short stacking energy: -506.781 Base-Backbone interact. energy: 5.240 local terms energy: -704.985176 where: bonds (distance) C4'-P energy: -138.122 bonds (distance) P-C4' energy: -173.229 flat angles C4'-P-C4' energy: -177.857 flat angles P-C4'-P energy: -100.251 tors. eta vs tors. theta energy: -115.526 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: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1125.509359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.509359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.509359 (E_RNA) where: Base-Base interactions energy: -590.142 where: short stacking energy: -307.663 Base-Backbone interact. energy: -0.009 local terms energy: -535.357573 where: bonds (distance) C4'-P energy: -135.045 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -150.583 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -10.587 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: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1029.246192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.246192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.246192 (E_RNA) where: Base-Base interactions energy: -467.111 where: short stacking energy: -259.862 Base-Backbone interact. energy: 4.574 local terms energy: -566.708698 where: bonds (distance) C4'-P energy: -166.311 bonds (distance) P-C4' energy: -161.137 flat angles C4'-P-C4' energy: -157.040 flat angles P-C4'-P energy: -94.498 tors. eta vs tors. theta energy: 12.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -678.684397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.684397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.684397 (E_RNA) where: Base-Base interactions energy: -253.545 where: short stacking energy: -182.989 Base-Backbone interact. energy: -0.795 local terms energy: -424.344985 where: bonds (distance) C4'-P energy: -134.098 bonds (distance) P-C4' energy: -160.442 flat angles C4'-P-C4' energy: -100.635 flat angles P-C4'-P energy: -59.871 tors. eta vs tors. theta energy: 30.701 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: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3103.838862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.838862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.838862 (E_RNA) where: Base-Base interactions energy: -2147.229 where: short stacking energy: -912.648 Base-Backbone interact. energy: 3.684 local terms energy: -960.294219 where: bonds (distance) C4'-P energy: -177.784 bonds (distance) P-C4' energy: -186.313 flat angles C4'-P-C4' energy: -204.034 flat angles P-C4'-P energy: -131.338 tors. eta vs tors. theta energy: -260.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2993.362110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.362110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.362110 (E_RNA) where: Base-Base interactions energy: -2029.201 where: short stacking energy: -907.280 Base-Backbone interact. energy: -3.751 local terms energy: -960.409422 where: bonds (distance) C4'-P energy: -173.081 bonds (distance) P-C4' energy: -174.671 flat angles C4'-P-C4' energy: -213.729 flat angles P-C4'-P energy: -116.940 tors. eta vs tors. theta energy: -281.988 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: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2835.169644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.169644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.169644 (E_RNA) where: Base-Base interactions energy: -1941.803 where: short stacking energy: -835.737 Base-Backbone interact. energy: -2.531 local terms energy: -890.835089 where: bonds (distance) C4'-P energy: -177.167 bonds (distance) P-C4' energy: -169.421 flat angles C4'-P-C4' energy: -197.298 flat angles P-C4'-P energy: -107.606 tors. eta vs tors. theta energy: -239.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2694.853724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.853724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.853724 (E_RNA) where: Base-Base interactions energy: -1824.740 where: short stacking energy: -785.545 Base-Backbone interact. energy: -3.266 local terms energy: -866.847323 where: bonds (distance) C4'-P energy: -167.453 bonds (distance) P-C4' energy: -167.684 flat angles C4'-P-C4' energy: -188.032 flat angles P-C4'-P energy: -109.332 tors. eta vs tors. theta energy: -234.346 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: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2488.121909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.121909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.121909 (E_RNA) where: Base-Base interactions energy: -1662.036 where: short stacking energy: -722.053 Base-Backbone interact. energy: -2.607 local terms energy: -823.479357 where: bonds (distance) C4'-P energy: -156.876 bonds (distance) P-C4' energy: -156.971 flat angles C4'-P-C4' energy: -190.789 flat angles P-C4'-P energy: -116.147 tors. eta vs tors. theta energy: -202.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1972.817417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.817417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.817417 (E_RNA) where: Base-Base interactions energy: -1275.233 where: short stacking energy: -533.021 Base-Backbone interact. energy: -2.446 local terms energy: -695.138397 where: bonds (distance) C4'-P energy: -144.279 bonds (distance) P-C4' energy: -160.426 flat angles C4'-P-C4' energy: -167.829 flat angles P-C4'-P energy: -114.585 tors. eta vs tors. theta energy: -108.019 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: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1783.963777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.963777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.963777 (E_RNA) where: Base-Base interactions energy: -1141.991 where: short stacking energy: -547.191 Base-Backbone interact. energy: 2.590 local terms energy: -644.563101 where: bonds (distance) C4'-P energy: -125.707 bonds (distance) P-C4' energy: -131.679 flat angles C4'-P-C4' energy: -149.356 flat angles P-C4'-P energy: -100.632 tors. eta vs tors. theta energy: -137.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1186.318762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.318762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.318762 (E_RNA) where: Base-Base interactions energy: -611.076 where: short stacking energy: -325.116 Base-Backbone interact. energy: -2.162 local terms energy: -573.080384 where: bonds (distance) C4'-P energy: -137.596 bonds (distance) P-C4' energy: -137.981 flat angles C4'-P-C4' energy: -157.247 flat angles P-C4'-P energy: -108.920 tors. eta vs tors. theta energy: -31.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1039.519090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.519090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.519090 (E_RNA) where: Base-Base interactions energy: -517.490 where: short stacking energy: -285.204 Base-Backbone interact. energy: -0.279 local terms energy: -521.749219 where: bonds (distance) C4'-P energy: -138.743 bonds (distance) P-C4' energy: -151.195 flat angles C4'-P-C4' energy: -149.380 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -11.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -659.002051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.002051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.002051 (E_RNA) where: Base-Base interactions energy: -213.884 where: short stacking energy: -180.292 Base-Backbone interact. energy: 5.597 local terms energy: -450.715441 where: bonds (distance) C4'-P energy: -145.836 bonds (distance) P-C4' energy: -160.352 flat angles C4'-P-C4' energy: -111.993 flat angles P-C4'-P energy: -73.774 tors. eta vs tors. theta energy: 41.241 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: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3133.985751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.985751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.985751 (E_RNA) where: Base-Base interactions energy: -2157.615 where: short stacking energy: -900.438 Base-Backbone interact. energy: -1.802 local terms energy: -974.568905 where: bonds (distance) C4'-P energy: -183.377 bonds (distance) P-C4' energy: -190.194 flat angles C4'-P-C4' energy: -203.066 flat angles P-C4'-P energy: -135.277 tors. eta vs tors. theta energy: -262.655 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: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2961.732426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.732426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.732426 (E_RNA) where: Base-Base interactions energy: -2001.482 where: short stacking energy: -889.416 Base-Backbone interact. energy: -5.737 local terms energy: -954.514237 where: bonds (distance) C4'-P energy: -192.132 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -199.105 flat angles P-C4'-P energy: -118.273 tors. eta vs tors. theta energy: -285.102 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: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2739.842517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.842517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.842517 (E_RNA) where: Base-Base interactions energy: -1848.594 where: short stacking energy: -812.092 Base-Backbone interact. energy: 4.755 local terms energy: -896.003158 where: bonds (distance) C4'-P energy: -172.521 bonds (distance) P-C4' energy: -173.789 flat angles C4'-P-C4' energy: -194.171 flat angles P-C4'-P energy: -132.445 tors. eta vs tors. theta energy: -223.077 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: 420 Temperature: 1.050000 Total energy: -2731.301464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.301464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.301464 (E_RNA) where: Base-Base interactions energy: -1859.428 where: short stacking energy: -790.873 Base-Backbone interact. energy: -2.561 local terms energy: -869.311734 where: bonds (distance) C4'-P energy: -173.756 bonds (distance) P-C4' energy: -160.658 flat angles C4'-P-C4' energy: -181.325 flat angles P-C4'-P energy: -130.822 tors. eta vs tors. theta energy: -222.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2565.021765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.021765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.021765 (E_RNA) where: Base-Base interactions energy: -1715.646 where: short stacking energy: -788.844 Base-Backbone interact. energy: -2.436 local terms energy: -846.939096 where: bonds (distance) C4'-P energy: -162.994 bonds (distance) P-C4' energy: -167.282 flat angles C4'-P-C4' energy: -173.044 flat angles P-C4'-P energy: -124.763 tors. eta vs tors. theta energy: -218.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2001.518891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.518891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.518891 (E_RNA) where: Base-Base interactions energy: -1287.898 where: short stacking energy: -560.156 Base-Backbone interact. energy: 2.532 local terms energy: -716.152631 where: bonds (distance) C4'-P energy: -167.454 bonds (distance) P-C4' energy: -165.519 flat angles C4'-P-C4' energy: -160.897 flat angles P-C4'-P energy: -103.080 tors. eta vs tors. theta energy: -119.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1750.377725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.377725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.377725 (E_RNA) where: Base-Base interactions energy: -1069.793 where: short stacking energy: -514.036 Base-Backbone interact. energy: 0.756 local terms energy: -681.340609 where: bonds (distance) C4'-P energy: -138.491 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -163.599 flat angles P-C4'-P energy: -103.602 tors. eta vs tors. theta energy: -130.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1255.991623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.991623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.991623 (E_RNA) where: Base-Base interactions energy: -697.414 where: short stacking energy: -355.706 Base-Backbone interact. energy: 3.688 local terms energy: -562.266397 where: bonds (distance) C4'-P energy: -157.341 bonds (distance) P-C4' energy: -151.848 flat angles C4'-P-C4' energy: -135.456 flat angles P-C4'-P energy: -74.585 tors. eta vs tors. theta energy: -43.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1119.479269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.479269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.479269 (E_RNA) where: Base-Base interactions energy: -580.111 where: short stacking energy: -306.318 Base-Backbone interact. energy: 4.614 local terms energy: -543.982572 where: bonds (distance) C4'-P energy: -125.302 bonds (distance) P-C4' energy: -165.044 flat angles C4'-P-C4' energy: -168.593 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -665.649369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.649369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.649369 (E_RNA) where: Base-Base interactions energy: -236.038 where: short stacking energy: -202.769 Base-Backbone interact. energy: 4.723 local terms energy: -434.334571 where: bonds (distance) C4'-P energy: -112.202 bonds (distance) P-C4' energy: -162.553 flat angles C4'-P-C4' energy: -113.427 flat angles P-C4'-P energy: -73.889 tors. eta vs tors. theta energy: 27.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3141.848120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.848120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.848120 (E_RNA) where: Base-Base interactions energy: -2132.088 where: short stacking energy: -930.001 Base-Backbone interact. energy: -1.571 local terms energy: -1008.189323 where: bonds (distance) C4'-P energy: -189.985 bonds (distance) P-C4' energy: -191.946 flat angles C4'-P-C4' energy: -219.246 flat angles P-C4'-P energy: -130.496 tors. eta vs tors. theta energy: -276.517 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: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2931.600742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.600742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.600742 (E_RNA) where: Base-Base interactions energy: -1980.438 where: short stacking energy: -887.008 Base-Backbone interact. energy: -4.775 local terms energy: -946.387886 where: bonds (distance) C4'-P energy: -180.936 bonds (distance) P-C4' energy: -172.629 flat angles C4'-P-C4' energy: -204.984 flat angles P-C4'-P energy: -121.027 tors. eta vs tors. theta energy: -266.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2753.411784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.411784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.411784 (E_RNA) where: Base-Base interactions energy: -1848.171 where: short stacking energy: -830.494 Base-Backbone interact. energy: -3.086 local terms energy: -902.155191 where: bonds (distance) C4'-P energy: -156.513 bonds (distance) P-C4' energy: -173.335 flat angles C4'-P-C4' energy: -196.525 flat angles P-C4'-P energy: -136.333 tors. eta vs tors. theta energy: -239.450 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: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2727.224650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.224650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.224650 (E_RNA) where: Base-Base interactions energy: -1849.789 where: short stacking energy: -808.471 Base-Backbone interact. energy: -0.460 local terms energy: -876.975793 where: bonds (distance) C4'-P energy: -154.261 bonds (distance) P-C4' energy: -172.246 flat angles C4'-P-C4' energy: -202.394 flat angles P-C4'-P energy: -121.892 tors. eta vs tors. theta energy: -226.183 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: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2553.914055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.914055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.914055 (E_RNA) where: Base-Base interactions energy: -1695.711 where: short stacking energy: -767.497 Base-Backbone interact. energy: -1.914 local terms energy: -856.288964 where: bonds (distance) C4'-P energy: -171.765 bonds (distance) P-C4' energy: -174.196 flat angles C4'-P-C4' energy: -180.372 flat angles P-C4'-P energy: -115.561 tors. eta vs tors. theta energy: -214.395 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: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2039.793634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.793634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.793634 (E_RNA) where: Base-Base interactions energy: -1301.878 where: short stacking energy: -618.078 Base-Backbone interact. energy: -1.429 local terms energy: -736.487200 where: bonds (distance) C4'-P energy: -162.312 bonds (distance) P-C4' energy: -159.786 flat angles C4'-P-C4' energy: -175.460 flat angles P-C4'-P energy: -83.451 tors. eta vs tors. theta energy: -155.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1770.493352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.493352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.493352 (E_RNA) where: Base-Base interactions energy: -1065.327 where: short stacking energy: -486.659 Base-Backbone interact. energy: -3.802 local terms energy: -701.363938 where: bonds (distance) C4'-P energy: -151.231 bonds (distance) P-C4' energy: -164.782 flat angles C4'-P-C4' energy: -165.019 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -120.458 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: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1270.123476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.123476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.123476 (E_RNA) where: Base-Base interactions energy: -695.863 where: short stacking energy: -346.929 Base-Backbone interact. energy: 3.701 local terms energy: -577.961385 where: bonds (distance) C4'-P energy: -142.778 bonds (distance) P-C4' energy: -163.819 flat angles C4'-P-C4' energy: -143.607 flat angles P-C4'-P energy: -80.687 tors. eta vs tors. theta energy: -47.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1084.658667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.658667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.658667 (E_RNA) where: Base-Base interactions energy: -591.119 where: short stacking energy: -312.254 Base-Backbone interact. energy: -3.869 local terms energy: -489.670588 where: bonds (distance) C4'-P energy: -120.565 bonds (distance) P-C4' energy: -145.274 flat angles C4'-P-C4' energy: -125.219 flat angles P-C4'-P energy: -83.790 tors. eta vs tors. theta energy: -14.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -712.460633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.460633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.460633 (E_RNA) where: Base-Base interactions energy: -259.397 where: short stacking energy: -195.478 Base-Backbone interact. energy: 0.806 local terms energy: -453.869115 where: bonds (distance) C4'-P energy: -135.302 bonds (distance) P-C4' energy: -162.213 flat angles C4'-P-C4' energy: -98.685 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: 25.156 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: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3161.060456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.060456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.060456 (E_RNA) where: Base-Base interactions energy: -2155.481 where: short stacking energy: -939.607 Base-Backbone interact. energy: -1.480 local terms energy: -1004.100021 where: bonds (distance) C4'-P energy: -164.519 bonds (distance) P-C4' energy: -183.961 flat angles C4'-P-C4' energy: -213.801 flat angles P-C4'-P energy: -153.127 tors. eta vs tors. theta energy: -288.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2966.292309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.292309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.292309 (E_RNA) where: Base-Base interactions energy: -1995.955 where: short stacking energy: -895.551 Base-Backbone interact. energy: -3.881 local terms energy: -966.456810 where: bonds (distance) C4'-P energy: -169.619 bonds (distance) P-C4' energy: -166.880 flat angles C4'-P-C4' energy: -205.721 flat angles P-C4'-P energy: -144.571 tors. eta vs tors. theta energy: -279.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2825.339452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.339452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.339452 (E_RNA) where: Base-Base interactions energy: -1935.764 where: short stacking energy: -822.799 Base-Backbone interact. energy: 0.101 local terms energy: -889.675887 where: bonds (distance) C4'-P energy: -159.388 bonds (distance) P-C4' energy: -173.738 flat angles C4'-P-C4' energy: -197.953 flat angles P-C4'-P energy: -132.518 tors. eta vs tors. theta energy: -226.078 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: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2691.981028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.981028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.981028 (E_RNA) where: Base-Base interactions energy: -1782.062 where: short stacking energy: -797.106 Base-Backbone interact. energy: 3.483 local terms energy: -913.401820 where: bonds (distance) C4'-P energy: -155.721 bonds (distance) P-C4' energy: -191.154 flat angles C4'-P-C4' energy: -196.725 flat angles P-C4'-P energy: -134.766 tors. eta vs tors. theta energy: -235.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2496.463489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.463489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.463489 (E_RNA) where: Base-Base interactions energy: -1649.433 where: short stacking energy: -760.665 Base-Backbone interact. energy: 0.498 local terms energy: -847.528476 where: bonds (distance) C4'-P energy: -172.730 bonds (distance) P-C4' energy: -163.538 flat angles C4'-P-C4' energy: -193.331 flat angles P-C4'-P energy: -99.546 tors. eta vs tors. theta energy: -218.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2036.220730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.220730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.220730 (E_RNA) where: Base-Base interactions energy: -1319.489 where: short stacking energy: -591.244 Base-Backbone interact. energy: -0.842 local terms energy: -715.889987 where: bonds (distance) C4'-P energy: -138.251 bonds (distance) P-C4' energy: -168.750 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -117.940 tors. eta vs tors. theta energy: -126.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1594.918240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.918240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.918240 (E_RNA) where: Base-Base interactions energy: -960.353 where: short stacking energy: -459.040 Base-Backbone interact. energy: -1.893 local terms energy: -632.672107 where: bonds (distance) C4'-P energy: -153.806 bonds (distance) P-C4' energy: -164.373 flat angles C4'-P-C4' energy: -140.427 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -85.851 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: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1281.641154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.641154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.641154 (E_RNA) where: Base-Base interactions energy: -705.386 where: short stacking energy: -374.153 Base-Backbone interact. energy: 1.472 local terms energy: -577.726954 where: bonds (distance) C4'-P energy: -149.014 bonds (distance) P-C4' energy: -156.872 flat angles C4'-P-C4' energy: -160.809 flat angles P-C4'-P energy: -76.904 tors. eta vs tors. theta energy: -34.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1137.141564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.141564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.141564 (E_RNA) where: Base-Base interactions energy: -579.434 where: short stacking energy: -295.420 Base-Backbone interact. energy: -0.297 local terms energy: -557.410573 where: bonds (distance) C4'-P energy: -147.940 bonds (distance) P-C4' energy: -169.736 flat angles C4'-P-C4' energy: -142.385 flat angles P-C4'-P energy: -79.754 tors. eta vs tors. theta energy: -17.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -739.870908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.870908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.870908 (E_RNA) where: Base-Base interactions energy: -277.467 where: short stacking energy: -179.192 Base-Backbone interact. energy: 10.444 local terms energy: -472.848113 where: bonds (distance) C4'-P energy: -148.901 bonds (distance) P-C4' energy: -153.284 flat angles C4'-P-C4' energy: -133.101 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: 34.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3114.799311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.799311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.799311 (E_RNA) where: Base-Base interactions energy: -2125.321 where: short stacking energy: -927.965 Base-Backbone interact. energy: -7.308 local terms energy: -982.170528 where: bonds (distance) C4'-P energy: -185.977 bonds (distance) P-C4' energy: -170.931 flat angles C4'-P-C4' energy: -205.345 flat angles P-C4'-P energy: -142.413 tors. eta vs tors. theta energy: -277.505 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: 423 Temperature: 0.950000 Total energy: -2983.795064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.795064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.795064 (E_RNA) where: Base-Base interactions energy: -2005.760 where: short stacking energy: -901.308 Base-Backbone interact. energy: -5.827 local terms energy: -972.207505 where: bonds (distance) C4'-P energy: -179.146 bonds (distance) P-C4' energy: -166.210 flat angles C4'-P-C4' energy: -209.767 flat angles P-C4'-P energy: -140.768 tors. eta vs tors. theta energy: -276.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2820.665661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.665661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.665661 (E_RNA) where: Base-Base interactions energy: -1930.143 where: short stacking energy: -824.358 Base-Backbone interact. energy: -0.055 local terms energy: -890.468119 where: bonds (distance) C4'-P energy: -162.006 bonds (distance) P-C4' energy: -161.945 flat angles C4'-P-C4' energy: -207.251 flat angles P-C4'-P energy: -127.095 tors. eta vs tors. theta energy: -232.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2701.207221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.207221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.207221 (E_RNA) where: Base-Base interactions energy: -1824.188 where: short stacking energy: -812.367 Base-Backbone interact. energy: -2.406 local terms energy: -874.613321 where: bonds (distance) C4'-P energy: -142.303 bonds (distance) P-C4' energy: -171.953 flat angles C4'-P-C4' energy: -204.319 flat angles P-C4'-P energy: -139.069 tors. eta vs tors. theta energy: -216.969 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: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2459.737822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.737822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.737822 (E_RNA) where: Base-Base interactions energy: -1646.604 where: short stacking energy: -716.302 Base-Backbone interact. energy: -3.287 local terms energy: -809.846372 where: bonds (distance) C4'-P energy: -150.580 bonds (distance) P-C4' energy: -176.937 flat angles C4'-P-C4' energy: -171.161 flat angles P-C4'-P energy: -114.377 tors. eta vs tors. theta energy: -196.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2018.333830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.333830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.333830 (E_RNA) where: Base-Base interactions energy: -1335.752 where: short stacking energy: -543.689 Base-Backbone interact. energy: 1.034 local terms energy: -683.615722 where: bonds (distance) C4'-P energy: -153.286 bonds (distance) P-C4' energy: -164.468 flat angles C4'-P-C4' energy: -159.170 flat angles P-C4'-P energy: -74.338 tors. eta vs tors. theta energy: -132.354 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: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1655.355331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.355331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.355331 (E_RNA) where: Base-Base interactions energy: -1003.625 where: short stacking energy: -473.448 Base-Backbone interact. energy: -0.701 local terms energy: -651.029335 where: bonds (distance) C4'-P energy: -155.539 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -154.789 flat angles P-C4'-P energy: -93.187 tors. eta vs tors. theta energy: -99.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1234.731179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.731179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.731179 (E_RNA) where: Base-Base interactions energy: -693.010 where: short stacking energy: -360.880 Base-Backbone interact. energy: -2.163 local terms energy: -539.557689 where: bonds (distance) C4'-P energy: -137.115 bonds (distance) P-C4' energy: -144.452 flat angles C4'-P-C4' energy: -149.938 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -29.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1124.011297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.011297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.011297 (E_RNA) where: Base-Base interactions energy: -571.300 where: short stacking energy: -250.938 Base-Backbone interact. energy: -0.755 local terms energy: -551.957186 where: bonds (distance) C4'-P energy: -149.414 bonds (distance) P-C4' energy: -155.504 flat angles C4'-P-C4' energy: -133.389 flat angles P-C4'-P energy: -91.164 tors. eta vs tors. theta energy: -22.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -733.732456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.732456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.732456 (E_RNA) where: Base-Base interactions energy: -292.191 where: short stacking energy: -193.328 Base-Backbone interact. energy: 2.832 local terms energy: -444.373118 where: bonds (distance) C4'-P energy: -142.777 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -116.066 flat angles P-C4'-P energy: -66.352 tors. eta vs tors. theta energy: 31.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3125.816058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.816058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.816058 (E_RNA) where: Base-Base interactions energy: -2124.057 where: short stacking energy: -922.886 Base-Backbone interact. energy: -0.893 local terms energy: -1000.866429 where: bonds (distance) C4'-P energy: -186.575 bonds (distance) P-C4' energy: -178.939 flat angles C4'-P-C4' energy: -211.013 flat angles P-C4'-P energy: -146.036 tors. eta vs tors. theta energy: -278.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3006.998525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.998525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.998525 (E_RNA) where: Base-Base interactions energy: -2007.506 where: short stacking energy: -942.032 Base-Backbone interact. energy: -3.534 local terms energy: -995.958024 where: bonds (distance) C4'-P energy: -170.807 bonds (distance) P-C4' energy: -174.701 flat angles C4'-P-C4' energy: -211.182 flat angles P-C4'-P energy: -142.171 tors. eta vs tors. theta energy: -297.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2827.311012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.311012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.311012 (E_RNA) where: Base-Base interactions energy: -1969.726 where: short stacking energy: -850.668 Base-Backbone interact. energy: 0.222 local terms energy: -857.806164 where: bonds (distance) C4'-P energy: -160.224 bonds (distance) P-C4' energy: -163.389 flat angles C4'-P-C4' energy: -190.755 flat angles P-C4'-P energy: -109.260 tors. eta vs tors. theta energy: -234.179 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: 424 Temperature: 1.050000 Total energy: -2651.834408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.834408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.834408 (E_RNA) where: Base-Base interactions energy: -1797.883 where: short stacking energy: -777.744 Base-Backbone interact. energy: 0.001 local terms energy: -853.952058 where: bonds (distance) C4'-P energy: -174.626 bonds (distance) P-C4' energy: -143.685 flat angles C4'-P-C4' energy: -184.733 flat angles P-C4'-P energy: -127.012 tors. eta vs tors. theta energy: -223.896 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: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2390.206401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.206401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.206401 (E_RNA) where: Base-Base interactions energy: -1551.934 where: short stacking energy: -704.798 Base-Backbone interact. energy: 2.353 local terms energy: -840.625423 where: bonds (distance) C4'-P energy: -160.544 bonds (distance) P-C4' energy: -150.450 flat angles C4'-P-C4' energy: -196.786 flat angles P-C4'-P energy: -129.652 tors. eta vs tors. theta energy: -203.193 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2008.516814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.516814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.516814 (E_RNA) where: Base-Base interactions energy: -1317.866 where: short stacking energy: -571.379 Base-Backbone interact. energy: -0.820 local terms energy: -689.830412 where: bonds (distance) C4'-P energy: -149.802 bonds (distance) P-C4' energy: -143.198 flat angles C4'-P-C4' energy: -176.214 flat angles P-C4'-P energy: -95.162 tors. eta vs tors. theta energy: -125.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1699.962219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.962219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.962219 (E_RNA) where: Base-Base interactions energy: -1041.703 where: short stacking energy: -470.136 Base-Backbone interact. energy: -1.188 local terms energy: -657.071351 where: bonds (distance) C4'-P energy: -131.907 bonds (distance) P-C4' energy: -153.958 flat angles C4'-P-C4' energy: -180.331 flat angles P-C4'-P energy: -80.959 tors. eta vs tors. theta energy: -109.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1216.819370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.819370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.819370 (E_RNA) where: Base-Base interactions energy: -679.681 where: short stacking energy: -341.840 Base-Backbone interact. energy: 3.804 local terms energy: -540.942989 where: bonds (distance) C4'-P energy: -129.787 bonds (distance) P-C4' energy: -165.994 flat angles C4'-P-C4' energy: -132.768 flat angles P-C4'-P energy: -88.825 tors. eta vs tors. theta energy: -23.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1062.018720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.018720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.018720 (E_RNA) where: Base-Base interactions energy: -540.870 where: short stacking energy: -283.468 Base-Backbone interact. energy: -1.369 local terms energy: -519.779167 where: bonds (distance) C4'-P energy: -153.653 bonds (distance) P-C4' energy: -134.441 flat angles C4'-P-C4' energy: -139.516 flat angles P-C4'-P energy: -80.125 tors. eta vs tors. theta energy: -12.043 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: 1 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -730.441797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.441797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.441797 (E_RNA) where: Base-Base interactions energy: -279.101 where: short stacking energy: -180.517 Base-Backbone interact. energy: -2.271 local terms energy: -449.069903 where: bonds (distance) C4'-P energy: -149.999 bonds (distance) P-C4' energy: -148.804 flat angles C4'-P-C4' energy: -119.955 flat angles P-C4'-P energy: -86.256 tors. eta vs tors. theta energy: 55.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3132.412998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.412998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.412998 (E_RNA) where: Base-Base interactions energy: -2156.475 where: short stacking energy: -936.865 Base-Backbone interact. energy: -1.044 local terms energy: -974.893715 where: bonds (distance) C4'-P energy: -170.174 bonds (distance) P-C4' energy: -186.220 flat angles C4'-P-C4' energy: -208.941 flat angles P-C4'-P energy: -129.652 tors. eta vs tors. theta energy: -279.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3053.563963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.563963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.563963 (E_RNA) where: Base-Base interactions energy: -2066.950 where: short stacking energy: -909.603 Base-Backbone interact. energy: -4.882 local terms energy: -981.731817 where: bonds (distance) C4'-P energy: -179.248 bonds (distance) P-C4' energy: -181.646 flat angles C4'-P-C4' energy: -193.421 flat angles P-C4'-P energy: -138.011 tors. eta vs tors. theta energy: -289.407 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: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2838.863710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.863710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.863710 (E_RNA) where: Base-Base interactions energy: -1951.204 where: short stacking energy: -812.579 Base-Backbone interact. energy: -3.630 local terms energy: -884.029296 where: bonds (distance) C4'-P energy: -183.028 bonds (distance) P-C4' energy: -154.422 flat angles C4'-P-C4' energy: -190.574 flat angles P-C4'-P energy: -135.033 tors. eta vs tors. theta energy: -220.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2673.209713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.209713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.209713 (E_RNA) where: Base-Base interactions energy: -1816.393 where: short stacking energy: -791.865 Base-Backbone interact. energy: 1.576 local terms energy: -858.392271 where: bonds (distance) C4'-P energy: -181.309 bonds (distance) P-C4' energy: -151.246 flat angles C4'-P-C4' energy: -185.459 flat angles P-C4'-P energy: -118.951 tors. eta vs tors. theta energy: -221.427 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: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2418.540337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.540337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.540337 (E_RNA) where: Base-Base interactions energy: -1600.669 where: short stacking energy: -712.135 Base-Backbone interact. energy: -2.349 local terms energy: -815.522324 where: bonds (distance) C4'-P energy: -155.627 bonds (distance) P-C4' energy: -168.722 flat angles C4'-P-C4' energy: -171.324 flat angles P-C4'-P energy: -111.838 tors. eta vs tors. theta energy: -208.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2018.380686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.380686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.380686 (E_RNA) where: Base-Base interactions energy: -1322.072 where: short stacking energy: -553.607 Base-Backbone interact. energy: 1.924 local terms energy: -698.232581 where: bonds (distance) C4'-P energy: -160.208 bonds (distance) P-C4' energy: -153.624 flat angles C4'-P-C4' energy: -165.843 flat angles P-C4'-P energy: -104.525 tors. eta vs tors. theta energy: -114.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1765.565540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.565540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.565540 (E_RNA) where: Base-Base interactions energy: -1093.050 where: short stacking energy: -518.443 Base-Backbone interact. energy: -1.610 local terms energy: -670.905425 where: bonds (distance) C4'-P energy: -159.292 bonds (distance) P-C4' energy: -150.659 flat angles C4'-P-C4' energy: -141.260 flat angles P-C4'-P energy: -98.551 tors. eta vs tors. theta energy: -121.143 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: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1331.245263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.245263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.245263 (E_RNA) where: Base-Base interactions energy: -725.160 where: short stacking energy: -371.607 Base-Backbone interact. energy: -4.419 local terms energy: -601.665922 where: bonds (distance) C4'-P energy: -133.467 bonds (distance) P-C4' energy: -157.322 flat angles C4'-P-C4' energy: -160.011 flat angles P-C4'-P energy: -97.709 tors. eta vs tors. theta energy: -53.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -983.090240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.090240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.090240 (E_RNA) where: Base-Base interactions energy: -504.275 where: short stacking energy: -248.600 Base-Backbone interact. energy: 0.843 local terms energy: -479.658154 where: bonds (distance) C4'-P energy: -140.331 bonds (distance) P-C4' energy: -144.128 flat angles C4'-P-C4' energy: -131.158 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: 11.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -735.572409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.572409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.572409 (E_RNA) where: Base-Base interactions energy: -267.733 where: short stacking energy: -184.250 Base-Backbone interact. energy: 4.032 local terms energy: -471.871338 where: bonds (distance) C4'-P energy: -136.441 bonds (distance) P-C4' energy: -165.166 flat angles C4'-P-C4' energy: -142.105 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: 32.975 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: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3122.959926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.959926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.959926 (E_RNA) where: Base-Base interactions energy: -2152.287 where: short stacking energy: -954.233 Base-Backbone interact. energy: -3.419 local terms energy: -967.254675 where: bonds (distance) C4'-P energy: -160.970 bonds (distance) P-C4' energy: -188.101 flat angles C4'-P-C4' energy: -210.441 flat angles P-C4'-P energy: -145.712 tors. eta vs tors. theta energy: -262.031 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: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3059.795005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.795005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.795005 (E_RNA) where: Base-Base interactions energy: -2040.879 where: short stacking energy: -936.561 Base-Backbone interact. energy: -1.862 local terms energy: -1017.053815 where: bonds (distance) C4'-P energy: -184.827 bonds (distance) P-C4' energy: -183.633 flat angles C4'-P-C4' energy: -214.727 flat angles P-C4'-P energy: -138.858 tors. eta vs tors. theta energy: -295.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2833.725082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.725082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.725082 (E_RNA) where: Base-Base interactions energy: -1950.340 where: short stacking energy: -803.055 Base-Backbone interact. energy: -3.062 local terms energy: -880.322827 where: bonds (distance) C4'-P energy: -169.473 bonds (distance) P-C4' energy: -170.965 flat angles C4'-P-C4' energy: -195.684 flat angles P-C4'-P energy: -119.516 tors. eta vs tors. theta energy: -224.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2658.932628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.932628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.932628 (E_RNA) where: Base-Base interactions energy: -1771.644 where: short stacking energy: -821.709 Base-Backbone interact. energy: -4.292 local terms energy: -882.997046 where: bonds (distance) C4'-P energy: -160.223 bonds (distance) P-C4' energy: -165.901 flat angles C4'-P-C4' energy: -191.097 flat angles P-C4'-P energy: -117.853 tors. eta vs tors. theta energy: -247.922 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: 426 Temperature: 1.100000 Total energy: -2422.249243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.249243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.249243 (E_RNA) where: Base-Base interactions energy: -1581.866 where: short stacking energy: -714.788 Base-Backbone interact. energy: 3.872 local terms energy: -844.254491 where: bonds (distance) C4'-P energy: -160.747 bonds (distance) P-C4' energy: -173.276 flat angles C4'-P-C4' energy: -193.927 flat angles P-C4'-P energy: -115.263 tors. eta vs tors. theta energy: -201.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2039.490728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.490728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.490728 (E_RNA) where: Base-Base interactions energy: -1289.348 where: short stacking energy: -549.832 Base-Backbone interact. energy: -1.662 local terms energy: -748.480197 where: bonds (distance) C4'-P energy: -151.535 bonds (distance) P-C4' energy: -147.229 flat angles C4'-P-C4' energy: -186.897 flat angles P-C4'-P energy: -119.578 tors. eta vs tors. theta energy: -143.242 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: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1685.721832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.721832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.721832 (E_RNA) where: Base-Base interactions energy: -1010.776 where: short stacking energy: -485.822 Base-Backbone interact. energy: 9.085 local terms energy: -684.030473 where: bonds (distance) C4'-P energy: -155.605 bonds (distance) P-C4' energy: -169.238 flat angles C4'-P-C4' energy: -158.324 flat angles P-C4'-P energy: -93.589 tors. eta vs tors. theta energy: -107.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1297.612251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.612251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.612251 (E_RNA) where: Base-Base interactions energy: -722.979 where: short stacking energy: -364.115 Base-Backbone interact. energy: -1.480 local terms energy: -573.152985 where: bonds (distance) C4'-P energy: -153.766 bonds (distance) P-C4' energy: -148.899 flat angles C4'-P-C4' energy: -147.682 flat angles P-C4'-P energy: -92.388 tors. eta vs tors. theta energy: -30.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1029.802311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.802311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.802311 (E_RNA) where: Base-Base interactions energy: -507.221 where: short stacking energy: -272.500 Base-Backbone interact. energy: 7.037 local terms energy: -529.618267 where: bonds (distance) C4'-P energy: -147.685 bonds (distance) P-C4' energy: -158.059 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -2.046 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: 426 Temperature: 1.350000 Total energy: -751.130081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.130081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.130081 (E_RNA) where: Base-Base interactions energy: -323.611 where: short stacking energy: -213.772 Base-Backbone interact. energy: 18.088 local terms energy: -445.606273 where: bonds (distance) C4'-P energy: -131.883 bonds (distance) P-C4' energy: -144.703 flat angles C4'-P-C4' energy: -101.619 flat angles P-C4'-P energy: -80.312 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: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3075.371081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.371081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.371081 (E_RNA) where: Base-Base interactions energy: -2089.417 where: short stacking energy: -917.237 Base-Backbone interact. energy: -1.891 local terms energy: -984.062398 where: bonds (distance) C4'-P energy: -183.055 bonds (distance) P-C4' energy: -186.749 flat angles C4'-P-C4' energy: -202.525 flat angles P-C4'-P energy: -138.781 tors. eta vs tors. theta energy: -272.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3020.617229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.617229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.617229 (E_RNA) where: Base-Base interactions energy: -2024.375 where: short stacking energy: -900.018 Base-Backbone interact. energy: 0.041 local terms energy: -996.283297 where: bonds (distance) C4'-P energy: -174.284 bonds (distance) P-C4' energy: -177.216 flat angles C4'-P-C4' energy: -201.638 flat angles P-C4'-P energy: -151.887 tors. eta vs tors. theta energy: -291.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2844.073436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.073436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.073436 (E_RNA) where: Base-Base interactions energy: -1956.013 where: short stacking energy: -825.455 Base-Backbone interact. energy: -3.190 local terms energy: -884.870433 where: bonds (distance) C4'-P energy: -173.455 bonds (distance) P-C4' energy: -153.804 flat angles C4'-P-C4' energy: -194.999 flat angles P-C4'-P energy: -139.976 tors. eta vs tors. theta energy: -222.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2627.420624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.420624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.420624 (E_RNA) where: Base-Base interactions energy: -1755.717 where: short stacking energy: -775.369 Base-Backbone interact. energy: -2.680 local terms energy: -869.022920 where: bonds (distance) C4'-P energy: -145.892 bonds (distance) P-C4' energy: -175.293 flat angles C4'-P-C4' energy: -188.943 flat angles P-C4'-P energy: -134.131 tors. eta vs tors. theta energy: -224.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2384.005999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.005999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.005999 (E_RNA) where: Base-Base interactions energy: -1575.666 where: short stacking energy: -669.745 Base-Backbone interact. energy: -1.364 local terms energy: -806.976476 where: bonds (distance) C4'-P energy: -157.374 bonds (distance) P-C4' energy: -164.117 flat angles C4'-P-C4' energy: -171.036 flat angles P-C4'-P energy: -120.385 tors. eta vs tors. theta energy: -194.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1968.319332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.319332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.319332 (E_RNA) where: Base-Base interactions energy: -1258.878 where: short stacking energy: -568.140 Base-Backbone interact. energy: -1.396 local terms energy: -708.045067 where: bonds (distance) C4'-P energy: -125.183 bonds (distance) P-C4' energy: -176.516 flat angles C4'-P-C4' energy: -157.720 flat angles P-C4'-P energy: -121.273 tors. eta vs tors. theta energy: -127.353 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1700.092476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.092476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.092476 (E_RNA) where: Base-Base interactions energy: -1016.534 where: short stacking energy: -510.579 Base-Backbone interact. energy: 6.802 local terms energy: -690.359662 where: bonds (distance) C4'-P energy: -161.652 bonds (distance) P-C4' energy: -179.146 flat angles C4'-P-C4' energy: -146.815 flat angles P-C4'-P energy: -95.810 tors. eta vs tors. theta energy: -106.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1290.142919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.142919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.142919 (E_RNA) where: Base-Base interactions energy: -728.407 where: short stacking energy: -373.703 Base-Backbone interact. energy: -2.271 local terms energy: -559.465384 where: bonds (distance) C4'-P energy: -146.880 bonds (distance) P-C4' energy: -152.229 flat angles C4'-P-C4' energy: -141.316 flat angles P-C4'-P energy: -83.287 tors. eta vs tors. theta energy: -35.754 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: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1114.147343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.147343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.147343 (E_RNA) where: Base-Base interactions energy: -617.506 where: short stacking energy: -307.652 Base-Backbone interact. energy: -3.902 local terms energy: -492.738902 where: bonds (distance) C4'-P energy: -142.794 bonds (distance) P-C4' energy: -142.427 flat angles C4'-P-C4' energy: -124.650 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -6.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -732.159547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.159547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.159547 (E_RNA) where: Base-Base interactions energy: -287.790 where: short stacking energy: -172.524 Base-Backbone interact. energy: 9.500 local terms energy: -453.869446 where: bonds (distance) C4'-P energy: -148.664 bonds (distance) P-C4' energy: -164.573 flat angles C4'-P-C4' energy: -113.713 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: 38.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3105.239410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.239410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.239410 (E_RNA) where: Base-Base interactions energy: -2116.958 where: short stacking energy: -938.025 Base-Backbone interact. energy: -3.652 local terms energy: -984.629648 where: bonds (distance) C4'-P energy: -180.481 bonds (distance) P-C4' energy: -189.263 flat angles C4'-P-C4' energy: -209.340 flat angles P-C4'-P energy: -124.149 tors. eta vs tors. theta energy: -281.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3027.476136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.476136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.476136 (E_RNA) where: Base-Base interactions energy: -2062.818 where: short stacking energy: -954.911 Base-Backbone interact. energy: -1.938 local terms energy: -962.720595 where: bonds (distance) C4'-P energy: -175.883 bonds (distance) P-C4' energy: -165.464 flat angles C4'-P-C4' energy: -205.169 flat angles P-C4'-P energy: -134.869 tors. eta vs tors. theta energy: -281.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2878.929728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.929728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.929728 (E_RNA) where: Base-Base interactions energy: -1992.603 where: short stacking energy: -815.900 Base-Backbone interact. energy: -5.727 local terms energy: -880.600022 where: bonds (distance) C4'-P energy: -142.204 bonds (distance) P-C4' energy: -195.530 flat angles C4'-P-C4' energy: -198.261 flat angles P-C4'-P energy: -126.191 tors. eta vs tors. theta energy: -218.414 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: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2671.751841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.751841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.751841 (E_RNA) where: Base-Base interactions energy: -1809.185 where: short stacking energy: -779.602 Base-Backbone interact. energy: -0.049 local terms energy: -862.517595 where: bonds (distance) C4'-P energy: -161.714 bonds (distance) P-C4' energy: -166.556 flat angles C4'-P-C4' energy: -192.121 flat angles P-C4'-P energy: -111.343 tors. eta vs tors. theta energy: -230.783 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: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2405.231092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.231092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.231092 (E_RNA) where: Base-Base interactions energy: -1593.301 where: short stacking energy: -754.826 Base-Backbone interact. energy: 7.022 local terms energy: -818.952122 where: bonds (distance) C4'-P energy: -149.890 bonds (distance) P-C4' energy: -151.219 flat angles C4'-P-C4' energy: -187.366 flat angles P-C4'-P energy: -123.076 tors. eta vs tors. theta energy: -207.400 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: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2003.387527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.387527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.387527 (E_RNA) where: Base-Base interactions energy: -1277.078 where: short stacking energy: -569.155 Base-Backbone interact. energy: 1.634 local terms energy: -727.943182 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -175.452 flat angles C4'-P-C4' energy: -175.004 flat angles P-C4'-P energy: -92.203 tors. eta vs tors. theta energy: -139.028 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: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1601.875509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.875509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.875509 (E_RNA) where: Base-Base interactions energy: -960.880 where: short stacking energy: -441.753 Base-Backbone interact. energy: 2.833 local terms energy: -643.828622 where: bonds (distance) C4'-P energy: -144.948 bonds (distance) P-C4' energy: -173.858 flat angles C4'-P-C4' energy: -153.943 flat angles P-C4'-P energy: -87.443 tors. eta vs tors. theta energy: -83.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1317.152581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.152581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.152581 (E_RNA) where: Base-Base interactions energy: -750.100 where: short stacking energy: -366.244 Base-Backbone interact. energy: 3.126 local terms energy: -570.179245 where: bonds (distance) C4'-P energy: -146.021 bonds (distance) P-C4' energy: -164.367 flat angles C4'-P-C4' energy: -135.581 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: -43.158 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: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1085.192075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.192075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.192075 (E_RNA) where: Base-Base interactions energy: -564.318 where: short stacking energy: -315.389 Base-Backbone interact. energy: -2.183 local terms energy: -518.690972 where: bonds (distance) C4'-P energy: -161.971 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -119.495 flat angles P-C4'-P energy: -81.201 tors. eta vs tors. theta energy: -14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -717.140450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.140450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.140450 (E_RNA) where: Base-Base interactions energy: -255.545 where: short stacking energy: -178.682 Base-Backbone interact. energy: 3.844 local terms energy: -465.440193 where: bonds (distance) C4'-P energy: -143.431 bonds (distance) P-C4' energy: -155.672 flat angles C4'-P-C4' energy: -114.170 flat angles P-C4'-P energy: -80.249 tors. eta vs tors. theta energy: 28.082 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: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3113.682391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.682391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.682391 (E_RNA) where: Base-Base interactions energy: -2131.707 where: short stacking energy: -962.450 Base-Backbone interact. energy: -4.716 local terms energy: -977.259760 where: bonds (distance) C4'-P energy: -184.768 bonds (distance) P-C4' energy: -176.426 flat angles C4'-P-C4' energy: -208.597 flat angles P-C4'-P energy: -126.431 tors. eta vs tors. theta energy: -281.038 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: 429 Temperature: 0.950000 Total energy: -3030.348442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.348442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.348442 (E_RNA) where: Base-Base interactions energy: -2035.816 where: short stacking energy: -920.125 Base-Backbone interact. energy: -2.517 local terms energy: -992.015929 where: bonds (distance) C4'-P energy: -162.406 bonds (distance) P-C4' energy: -184.492 flat angles C4'-P-C4' energy: -214.433 flat angles P-C4'-P energy: -140.069 tors. eta vs tors. theta energy: -290.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2855.271111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.271111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.271111 (E_RNA) where: Base-Base interactions energy: -1958.417 where: short stacking energy: -810.640 Base-Backbone interact. energy: -5.513 local terms energy: -891.341374 where: bonds (distance) C4'-P energy: -181.832 bonds (distance) P-C4' energy: -172.376 flat angles C4'-P-C4' energy: -199.182 flat angles P-C4'-P energy: -134.567 tors. eta vs tors. theta energy: -203.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2674.799778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.799778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.799778 (E_RNA) where: Base-Base interactions energy: -1796.391 where: short stacking energy: -755.654 Base-Backbone interact. energy: -2.530 local terms energy: -875.879524 where: bonds (distance) C4'-P energy: -152.515 bonds (distance) P-C4' energy: -162.396 flat angles C4'-P-C4' energy: -192.986 flat angles P-C4'-P energy: -134.256 tors. eta vs tors. theta energy: -233.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2445.205628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.205628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.205628 (E_RNA) where: Base-Base interactions energy: -1629.432 where: short stacking energy: -726.049 Base-Backbone interact. energy: -1.481 local terms energy: -814.292395 where: bonds (distance) C4'-P energy: -177.396 bonds (distance) P-C4' energy: -147.427 flat angles C4'-P-C4' energy: -164.387 flat angles P-C4'-P energy: -119.320 tors. eta vs tors. theta energy: -205.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2064.906669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.906669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.906669 (E_RNA) where: Base-Base interactions energy: -1321.948 where: short stacking energy: -569.425 Base-Backbone interact. energy: -2.580 local terms energy: -740.378401 where: bonds (distance) C4'-P energy: -162.354 bonds (distance) P-C4' energy: -177.304 flat angles C4'-P-C4' energy: -149.554 flat angles P-C4'-P energy: -106.913 tors. eta vs tors. theta energy: -144.254 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: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1545.480035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.480035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.480035 (E_RNA) where: Base-Base interactions energy: -881.731 where: short stacking energy: -432.258 Base-Backbone interact. energy: -0.482 local terms energy: -663.266828 where: bonds (distance) C4'-P energy: -156.751 bonds (distance) P-C4' energy: -168.401 flat angles C4'-P-C4' energy: -143.837 flat angles P-C4'-P energy: -94.761 tors. eta vs tors. theta energy: -99.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1279.162945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.162945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.162945 (E_RNA) where: Base-Base interactions energy: -727.039 where: short stacking energy: -392.109 Base-Backbone interact. energy: -0.553 local terms energy: -551.571332 where: bonds (distance) C4'-P energy: -128.707 bonds (distance) P-C4' energy: -171.366 flat angles C4'-P-C4' energy: -135.137 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -34.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1128.012906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.012906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.012906 (E_RNA) where: Base-Base interactions energy: -563.417 where: short stacking energy: -311.161 Base-Backbone interact. energy: -1.296 local terms energy: -563.300262 where: bonds (distance) C4'-P energy: -149.386 bonds (distance) P-C4' energy: -160.814 flat angles C4'-P-C4' energy: -128.907 flat angles P-C4'-P energy: -91.236 tors. eta vs tors. theta energy: -32.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -774.564005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.564005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.564005 (E_RNA) where: Base-Base interactions energy: -348.197 where: short stacking energy: -214.687 Base-Backbone interact. energy: 3.791 local terms energy: -430.158626 where: bonds (distance) C4'-P energy: -115.118 bonds (distance) P-C4' energy: -159.247 flat angles C4'-P-C4' energy: -144.995 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: 46.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3086.888687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.888687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.888687 (E_RNA) where: Base-Base interactions energy: -2077.129 where: short stacking energy: -907.138 Base-Backbone interact. energy: -1.940 local terms energy: -1007.818976 where: bonds (distance) C4'-P energy: -175.354 bonds (distance) P-C4' energy: -195.406 flat angles C4'-P-C4' energy: -217.876 flat angles P-C4'-P energy: -142.669 tors. eta vs tors. theta energy: -276.515 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: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3032.224547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.224547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.224547 (E_RNA) where: Base-Base interactions energy: -2046.915 where: short stacking energy: -926.190 Base-Backbone interact. energy: -3.634 local terms energy: -981.675481 where: bonds (distance) C4'-P energy: -167.474 bonds (distance) P-C4' energy: -174.802 flat angles C4'-P-C4' energy: -216.939 flat angles P-C4'-P energy: -141.771 tors. eta vs tors. theta energy: -280.690 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: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2816.036291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.036291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.036291 (E_RNA) where: Base-Base interactions energy: -1948.316 where: short stacking energy: -791.218 Base-Backbone interact. energy: -2.443 local terms energy: -865.277445 where: bonds (distance) C4'-P energy: -161.757 bonds (distance) P-C4' energy: -173.921 flat angles C4'-P-C4' energy: -196.172 flat angles P-C4'-P energy: -102.488 tors. eta vs tors. theta energy: -230.939 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: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2680.216620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.216620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.216620 (E_RNA) where: Base-Base interactions energy: -1805.515 where: short stacking energy: -769.096 Base-Backbone interact. energy: -2.672 local terms energy: -872.029569 where: bonds (distance) C4'-P energy: -153.248 bonds (distance) P-C4' energy: -174.663 flat angles C4'-P-C4' energy: -193.715 flat angles P-C4'-P energy: -122.497 tors. eta vs tors. theta energy: -227.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2387.291169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.291169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.291169 (E_RNA) where: Base-Base interactions energy: -1615.600 where: short stacking energy: -729.410 Base-Backbone interact. energy: 2.655 local terms energy: -774.346512 where: bonds (distance) C4'-P energy: -140.827 bonds (distance) P-C4' energy: -163.624 flat angles C4'-P-C4' energy: -178.159 flat angles P-C4'-P energy: -96.431 tors. eta vs tors. theta energy: -195.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2043.475308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.475308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.475308 (E_RNA) where: Base-Base interactions energy: -1282.046 where: short stacking energy: -577.297 Base-Backbone interact. energy: -2.453 local terms energy: -758.975851 where: bonds (distance) C4'-P energy: -185.374 bonds (distance) P-C4' energy: -141.963 flat angles C4'-P-C4' energy: -172.690 flat angles P-C4'-P energy: -114.745 tors. eta vs tors. theta energy: -144.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1682.681179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.681179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.681179 (E_RNA) where: Base-Base interactions energy: -1012.757 where: short stacking energy: -485.757 Base-Backbone interact. energy: -3.178 local terms energy: -666.745621 where: bonds (distance) C4'-P energy: -156.760 bonds (distance) P-C4' energy: -159.510 flat angles C4'-P-C4' energy: -138.613 flat angles P-C4'-P energy: -110.028 tors. eta vs tors. theta energy: -101.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1338.073250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.073250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.073250 (E_RNA) where: Base-Base interactions energy: -735.917 where: short stacking energy: -360.942 Base-Backbone interact. energy: 0.347 local terms energy: -602.502634 where: bonds (distance) C4'-P energy: -160.883 bonds (distance) P-C4' energy: -167.557 flat angles C4'-P-C4' energy: -134.100 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -46.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1119.745217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.745217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.745217 (E_RNA) where: Base-Base interactions energy: -574.713 where: short stacking energy: -303.653 Base-Backbone interact. energy: 4.475 local terms energy: -549.507313 where: bonds (distance) C4'-P energy: -153.215 bonds (distance) P-C4' energy: -152.039 flat angles C4'-P-C4' energy: -143.627 flat angles P-C4'-P energy: -100.258 tors. eta vs tors. theta energy: -0.369 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: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -721.318011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.318011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.318011 (E_RNA) where: Base-Base interactions energy: -266.664 where: short stacking energy: -182.033 Base-Backbone interact. energy: 4.022 local terms energy: -458.676182 where: bonds (distance) C4'-P energy: -159.393 bonds (distance) P-C4' energy: -152.368 flat angles C4'-P-C4' energy: -114.991 flat angles P-C4'-P energy: -80.546 tors. eta vs tors. theta energy: 48.623 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: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3083.831805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.831805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.831805 (E_RNA) where: Base-Base interactions energy: -2096.192 where: short stacking energy: -930.374 Base-Backbone interact. energy: -4.161 local terms energy: -983.478308 where: bonds (distance) C4'-P energy: -183.140 bonds (distance) P-C4' energy: -173.734 flat angles C4'-P-C4' energy: -207.059 flat angles P-C4'-P energy: -131.095 tors. eta vs tors. theta energy: -288.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3038.897659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.897659 (E_RNA) where: Base-Base interactions energy: -2027.295 where: short stacking energy: -942.609 Base-Backbone interact. energy: -2.133 local terms energy: -1009.470376 where: bonds (distance) C4'-P energy: -190.907 bonds (distance) P-C4' energy: -176.224 flat angles C4'-P-C4' energy: -210.467 flat angles P-C4'-P energy: -141.558 tors. eta vs tors. theta energy: -290.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2872.455386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.455386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.455386 (E_RNA) where: Base-Base interactions energy: -1994.770 where: short stacking energy: -848.045 Base-Backbone interact. energy: 0.860 local terms energy: -878.545824 where: bonds (distance) C4'-P energy: -161.317 bonds (distance) P-C4' energy: -173.368 flat angles C4'-P-C4' energy: -190.316 flat angles P-C4'-P energy: -123.693 tors. eta vs tors. theta energy: -229.851 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: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2664.626677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.626677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.626677 (E_RNA) where: Base-Base interactions energy: -1787.632 where: short stacking energy: -796.230 Base-Backbone interact. energy: 0.563 local terms energy: -877.557846 where: bonds (distance) C4'-P energy: -179.268 bonds (distance) P-C4' energy: -160.943 flat angles C4'-P-C4' energy: -187.413 flat angles P-C4'-P energy: -117.057 tors. eta vs tors. theta energy: -232.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2389.080864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.080864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.080864 (E_RNA) where: Base-Base interactions energy: -1583.506 where: short stacking energy: -712.891 Base-Backbone interact. energy: 0.299 local terms energy: -805.873820 where: bonds (distance) C4'-P energy: -165.798 bonds (distance) P-C4' energy: -158.733 flat angles C4'-P-C4' energy: -171.681 flat angles P-C4'-P energy: -109.522 tors. eta vs tors. theta energy: -200.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2111.915176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.915176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.915176 (E_RNA) where: Base-Base interactions energy: -1364.221 where: short stacking energy: -623.546 Base-Backbone interact. energy: -3.549 local terms energy: -744.145238 where: bonds (distance) C4'-P energy: -156.953 bonds (distance) P-C4' energy: -149.210 flat angles C4'-P-C4' energy: -180.677 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -155.760 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: 431 Temperature: 1.200000 Total energy: -1771.712343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.712343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.712343 (E_RNA) where: Base-Base interactions energy: -1123.346 where: short stacking energy: -536.099 Base-Backbone interact. energy: 1.513 local terms energy: -649.879222 where: bonds (distance) C4'-P energy: -140.285 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -158.413 flat angles P-C4'-P energy: -96.500 tors. eta vs tors. theta energy: -121.016 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: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1310.709985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.709985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.709985 (E_RNA) where: Base-Base interactions energy: -719.557 where: short stacking energy: -374.448 Base-Backbone interact. energy: -2.661 local terms energy: -588.492080 where: bonds (distance) C4'-P energy: -143.580 bonds (distance) P-C4' energy: -172.465 flat angles C4'-P-C4' energy: -124.697 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -50.990 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: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1010.012574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.012574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.012574 (E_RNA) where: Base-Base interactions energy: -497.170 where: short stacking energy: -276.324 Base-Backbone interact. energy: -2.892 local terms energy: -509.950438 where: bonds (distance) C4'-P energy: -153.456 bonds (distance) P-C4' energy: -160.502 flat angles C4'-P-C4' energy: -119.125 flat angles P-C4'-P energy: -82.277 tors. eta vs tors. theta energy: 5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -679.833989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.833989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.833989 (E_RNA) where: Base-Base interactions energy: -253.348 where: short stacking energy: -211.437 Base-Backbone interact. energy: 7.314 local terms energy: -433.799954 where: bonds (distance) C4'-P energy: -156.324 bonds (distance) P-C4' energy: -132.153 flat angles C4'-P-C4' energy: -113.688 flat angles P-C4'-P energy: -63.503 tors. eta vs tors. theta energy: 31.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3105.507183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.507183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.507183 (E_RNA) where: Base-Base interactions energy: -2116.763 where: short stacking energy: -944.570 Base-Backbone interact. energy: -3.669 local terms energy: -985.075646 where: bonds (distance) C4'-P energy: -170.434 bonds (distance) P-C4' energy: -186.821 flat angles C4'-P-C4' energy: -208.214 flat angles P-C4'-P energy: -140.248 tors. eta vs tors. theta energy: -279.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3032.491813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.491813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.491813 (E_RNA) where: Base-Base interactions energy: -2041.889 where: short stacking energy: -929.903 Base-Backbone interact. energy: -1.295 local terms energy: -989.308332 where: bonds (distance) C4'-P energy: -175.470 bonds (distance) P-C4' energy: -168.733 flat angles C4'-P-C4' energy: -209.053 flat angles P-C4'-P energy: -137.367 tors. eta vs tors. theta energy: -298.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2783.594379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.594379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.594379 (E_RNA) where: Base-Base interactions energy: -1905.607 where: short stacking energy: -790.860 Base-Backbone interact. energy: 0.426 local terms energy: -878.412465 where: bonds (distance) C4'-P energy: -172.050 bonds (distance) P-C4' energy: -179.035 flat angles C4'-P-C4' energy: -185.613 flat angles P-C4'-P energy: -122.953 tors. eta vs tors. theta energy: -218.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2628.164394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.164394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.164394 (E_RNA) where: Base-Base interactions energy: -1774.694 where: short stacking energy: -785.591 Base-Backbone interact. energy: 4.423 local terms energy: -857.893224 where: bonds (distance) C4'-P energy: -159.277 bonds (distance) P-C4' energy: -171.346 flat angles C4'-P-C4' energy: -200.949 flat angles P-C4'-P energy: -104.735 tors. eta vs tors. theta energy: -221.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2432.129545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.129545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.129545 (E_RNA) where: Base-Base interactions energy: -1574.984 where: short stacking energy: -726.600 Base-Backbone interact. energy: 3.714 local terms energy: -860.859718 where: bonds (distance) C4'-P energy: -157.810 bonds (distance) P-C4' energy: -165.208 flat angles C4'-P-C4' energy: -189.282 flat angles P-C4'-P energy: -128.048 tors. eta vs tors. theta energy: -220.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2078.464689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.464689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.464689 (E_RNA) where: Base-Base interactions energy: -1348.088 where: short stacking energy: -581.245 Base-Backbone interact. energy: -4.103 local terms energy: -726.273647 where: bonds (distance) C4'-P energy: -145.005 bonds (distance) P-C4' energy: -165.119 flat angles C4'-P-C4' energy: -184.618 flat angles P-C4'-P energy: -87.066 tors. eta vs tors. theta energy: -144.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1808.277322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.277322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.277322 (E_RNA) where: Base-Base interactions energy: -1125.010 where: short stacking energy: -521.646 Base-Backbone interact. energy: 0.408 local terms energy: -683.674898 where: bonds (distance) C4'-P energy: -151.261 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -155.051 flat angles P-C4'-P energy: -95.913 tors. eta vs tors. theta energy: -124.403 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: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1334.024187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.024187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.024187 (E_RNA) where: Base-Base interactions energy: -762.263 where: short stacking energy: -369.300 Base-Backbone interact. energy: 4.328 local terms energy: -576.088816 where: bonds (distance) C4'-P energy: -131.895 bonds (distance) P-C4' energy: -143.040 flat angles C4'-P-C4' energy: -144.814 flat angles P-C4'-P energy: -99.125 tors. eta vs tors. theta energy: -57.216 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: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -991.415678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.415678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.415678 (E_RNA) where: Base-Base interactions energy: -499.717 where: short stacking energy: -292.634 Base-Backbone interact. energy: 0.453 local terms energy: -492.151591 where: bonds (distance) C4'-P energy: -143.089 bonds (distance) P-C4' energy: -152.269 flat angles C4'-P-C4' energy: -113.873 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -678.645361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.645361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.645361 (E_RNA) where: Base-Base interactions energy: -223.737 where: short stacking energy: -164.433 Base-Backbone interact. energy: -3.808 local terms energy: -451.100461 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -172.477 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -60.577 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: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3128.588365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.588365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.588365 (E_RNA) where: Base-Base interactions energy: -2144.413 where: short stacking energy: -923.948 Base-Backbone interact. energy: -3.455 local terms energy: -980.720396 where: bonds (distance) C4'-P energy: -198.914 bonds (distance) P-C4' energy: -187.924 flat angles C4'-P-C4' energy: -186.751 flat angles P-C4'-P energy: -137.102 tors. eta vs tors. theta energy: -270.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3014.500781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.500781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.500781 (E_RNA) where: Base-Base interactions energy: -2041.584 where: short stacking energy: -923.002 Base-Backbone interact. energy: 0.631 local terms energy: -973.547218 where: bonds (distance) C4'-P energy: -191.139 bonds (distance) P-C4' energy: -165.708 flat angles C4'-P-C4' energy: -198.307 flat angles P-C4'-P energy: -130.434 tors. eta vs tors. theta energy: -287.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2804.911054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.911054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.911054 (E_RNA) where: Base-Base interactions energy: -1938.859 where: short stacking energy: -806.415 Base-Backbone interact. energy: 3.729 local terms energy: -869.781716 where: bonds (distance) C4'-P energy: -154.594 bonds (distance) P-C4' energy: -175.188 flat angles C4'-P-C4' energy: -196.372 flat angles P-C4'-P energy: -130.816 tors. eta vs tors. theta energy: -212.812 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: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2607.914809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.914809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.914809 (E_RNA) where: Base-Base interactions energy: -1756.113 where: short stacking energy: -781.359 Base-Backbone interact. energy: 2.579 local terms energy: -854.381003 where: bonds (distance) C4'-P energy: -153.276 bonds (distance) P-C4' energy: -165.782 flat angles C4'-P-C4' energy: -206.817 flat angles P-C4'-P energy: -119.238 tors. eta vs tors. theta energy: -209.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2383.291195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.291195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.291195 (E_RNA) where: Base-Base interactions energy: -1579.240 where: short stacking energy: -701.578 Base-Backbone interact. energy: -1.454 local terms energy: -802.597120 where: bonds (distance) C4'-P energy: -155.183 bonds (distance) P-C4' energy: -174.297 flat angles C4'-P-C4' energy: -177.788 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -193.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2013.215285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.215285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.215285 (E_RNA) where: Base-Base interactions energy: -1275.531 where: short stacking energy: -537.440 Base-Backbone interact. energy: -3.392 local terms energy: -734.291962 where: bonds (distance) C4'-P energy: -154.502 bonds (distance) P-C4' energy: -172.908 flat angles C4'-P-C4' energy: -174.537 flat angles P-C4'-P energy: -103.010 tors. eta vs tors. theta energy: -129.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1726.720339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.720339 (E_RNA) where: Base-Base interactions energy: -1072.503 where: short stacking energy: -478.269 Base-Backbone interact. energy: 5.571 local terms energy: -659.788260 where: bonds (distance) C4'-P energy: -155.231 bonds (distance) P-C4' energy: -161.129 flat angles C4'-P-C4' energy: -161.908 flat angles P-C4'-P energy: -98.491 tors. eta vs tors. theta energy: -83.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1282.170709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.170709 (E_RNA) where: Base-Base interactions energy: -719.376 where: short stacking energy: -361.003 Base-Backbone interact. energy: -3.026 local terms energy: -559.769487 where: bonds (distance) C4'-P energy: -145.832 bonds (distance) P-C4' energy: -141.791 flat angles C4'-P-C4' energy: -148.702 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -32.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1039.437883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.437883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.437883 (E_RNA) where: Base-Base interactions energy: -533.474 where: short stacking energy: -259.341 Base-Backbone interact. energy: -1.316 local terms energy: -504.647335 where: bonds (distance) C4'-P energy: -150.645 bonds (distance) P-C4' energy: -159.660 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: 5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -747.796423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.796423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.796423 (E_RNA) where: Base-Base interactions energy: -268.389 where: short stacking energy: -209.721 Base-Backbone interact. energy: -2.234 local terms energy: -477.173112 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -160.155 flat angles C4'-P-C4' energy: -116.862 flat angles P-C4'-P energy: -63.502 tors. eta vs tors. theta energy: 14.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3125.686137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.686137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.686137 (E_RNA) where: Base-Base interactions energy: -2134.868 where: short stacking energy: -887.570 Base-Backbone interact. energy: -3.490 local terms energy: -987.327848 where: bonds (distance) C4'-P energy: -189.000 bonds (distance) P-C4' energy: -180.243 flat angles C4'-P-C4' energy: -203.716 flat angles P-C4'-P energy: -144.099 tors. eta vs tors. theta energy: -270.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2984.421660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.421660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.421660 (E_RNA) where: Base-Base interactions energy: -1992.305 where: short stacking energy: -920.289 Base-Backbone interact. energy: 0.873 local terms energy: -992.989470 where: bonds (distance) C4'-P energy: -181.345 bonds (distance) P-C4' energy: -183.225 flat angles C4'-P-C4' energy: -211.907 flat angles P-C4'-P energy: -136.676 tors. eta vs tors. theta energy: -279.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2866.663456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.663456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.663456 (E_RNA) where: Base-Base interactions energy: -1988.426 where: short stacking energy: -850.261 Base-Backbone interact. energy: 0.321 local terms energy: -878.557678 where: bonds (distance) C4'-P energy: -169.877 bonds (distance) P-C4' energy: -161.304 flat angles C4'-P-C4' energy: -187.183 flat angles P-C4'-P energy: -118.504 tors. eta vs tors. theta energy: -241.690 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: 434 Temperature: 1.050000 Total energy: -2618.120800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.120800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.120800 (E_RNA) where: Base-Base interactions energy: -1777.368 where: short stacking energy: -768.916 Base-Backbone interact. energy: -2.323 local terms energy: -838.430446 where: bonds (distance) C4'-P energy: -150.989 bonds (distance) P-C4' energy: -165.718 flat angles C4'-P-C4' energy: -177.556 flat angles P-C4'-P energy: -118.659 tors. eta vs tors. theta energy: -225.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2386.399632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.399632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.399632 (E_RNA) where: Base-Base interactions energy: -1550.529 where: short stacking energy: -685.836 Base-Backbone interact. energy: -3.199 local terms energy: -832.671547 where: bonds (distance) C4'-P energy: -172.243 bonds (distance) P-C4' energy: -157.381 flat angles C4'-P-C4' energy: -184.397 flat angles P-C4'-P energy: -113.143 tors. eta vs tors. theta energy: -205.507 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: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2012.626045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.626045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.626045 (E_RNA) where: Base-Base interactions energy: -1314.479 where: short stacking energy: -568.431 Base-Backbone interact. energy: 3.435 local terms energy: -701.582586 where: bonds (distance) C4'-P energy: -160.546 bonds (distance) P-C4' energy: -158.295 flat angles C4'-P-C4' energy: -144.453 flat angles P-C4'-P energy: -114.242 tors. eta vs tors. theta energy: -124.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1733.930597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.930597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.930597 (E_RNA) where: Base-Base interactions energy: -1076.475 where: short stacking energy: -488.432 Base-Backbone interact. energy: 2.859 local terms energy: -660.314150 where: bonds (distance) C4'-P energy: -147.203 bonds (distance) P-C4' energy: -173.405 flat angles C4'-P-C4' energy: -148.074 flat angles P-C4'-P energy: -95.411 tors. eta vs tors. theta energy: -96.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1252.598781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.598781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.598781 (E_RNA) where: Base-Base interactions energy: -715.792 where: short stacking energy: -396.348 Base-Backbone interact. energy: 8.380 local terms energy: -545.186612 where: bonds (distance) C4'-P energy: -146.821 bonds (distance) P-C4' energy: -138.319 flat angles C4'-P-C4' energy: -118.677 flat angles P-C4'-P energy: -88.493 tors. eta vs tors. theta energy: -52.876 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: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1033.258820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.258820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.258820 (E_RNA) where: Base-Base interactions energy: -559.551 where: short stacking energy: -296.468 Base-Backbone interact. energy: -0.296 local terms energy: -473.411878 where: bonds (distance) C4'-P energy: -119.180 bonds (distance) P-C4' energy: -141.139 flat angles C4'-P-C4' energy: -131.179 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -716.087632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.087632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.087632 (E_RNA) where: Base-Base interactions energy: -249.321 where: short stacking energy: -177.713 Base-Backbone interact. energy: 6.443 local terms energy: -473.209938 where: bonds (distance) C4'-P energy: -161.365 bonds (distance) P-C4' energy: -133.758 flat angles C4'-P-C4' energy: -131.001 flat angles P-C4'-P energy: -79.249 tors. eta vs tors. theta energy: 32.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3129.262679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.262679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.262679 (E_RNA) where: Base-Base interactions energy: -2125.910 where: short stacking energy: -932.165 Base-Backbone interact. energy: -0.173 local terms energy: -1003.180647 where: bonds (distance) C4'-P energy: -185.874 bonds (distance) P-C4' energy: -185.971 flat angles C4'-P-C4' energy: -215.377 flat angles P-C4'-P energy: -133.907 tors. eta vs tors. theta energy: -282.051 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: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3010.278751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.278751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.278751 (E_RNA) where: Base-Base interactions energy: -2037.536 where: short stacking energy: -919.689 Base-Backbone interact. energy: -3.675 local terms energy: -969.067673 where: bonds (distance) C4'-P energy: -167.425 bonds (distance) P-C4' energy: -188.463 flat angles C4'-P-C4' energy: -204.635 flat angles P-C4'-P energy: -130.237 tors. eta vs tors. theta energy: -278.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2910.367111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.367111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.367111 (E_RNA) where: Base-Base interactions energy: -1988.908 where: short stacking energy: -846.525 Base-Backbone interact. energy: -4.561 local terms energy: -916.898800 where: bonds (distance) C4'-P energy: -167.032 bonds (distance) P-C4' energy: -172.206 flat angles C4'-P-C4' energy: -200.994 flat angles P-C4'-P energy: -125.198 tors. eta vs tors. theta energy: -251.469 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: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2585.868443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.868443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.868443 (E_RNA) where: Base-Base interactions energy: -1746.819 where: short stacking energy: -753.926 Base-Backbone interact. energy: -1.154 local terms energy: -837.895365 where: bonds (distance) C4'-P energy: -145.438 bonds (distance) P-C4' energy: -183.854 flat angles C4'-P-C4' energy: -190.228 flat angles P-C4'-P energy: -114.092 tors. eta vs tors. theta energy: -204.284 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: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2391.103095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.103095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.103095 (E_RNA) where: Base-Base interactions energy: -1560.241 where: short stacking energy: -697.551 Base-Backbone interact. energy: -0.006 local terms energy: -830.856076 where: bonds (distance) C4'-P energy: -161.949 bonds (distance) P-C4' energy: -175.703 flat angles C4'-P-C4' energy: -182.935 flat angles P-C4'-P energy: -116.304 tors. eta vs tors. theta energy: -193.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2041.244614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.244614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.244614 (E_RNA) where: Base-Base interactions energy: -1302.688 where: short stacking energy: -558.063 Base-Backbone interact. energy: 1.640 local terms energy: -740.197504 where: bonds (distance) C4'-P energy: -155.288 bonds (distance) P-C4' energy: -170.491 flat angles C4'-P-C4' energy: -169.714 flat angles P-C4'-P energy: -103.180 tors. eta vs tors. theta energy: -141.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1731.329978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.329978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.329978 (E_RNA) where: Base-Base interactions energy: -1069.874 where: short stacking energy: -478.553 Base-Backbone interact. energy: -4.317 local terms energy: -657.139323 where: bonds (distance) C4'-P energy: -139.185 bonds (distance) P-C4' energy: -159.173 flat angles C4'-P-C4' energy: -160.571 flat angles P-C4'-P energy: -108.444 tors. eta vs tors. theta energy: -89.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1326.986710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.986710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.986710 (E_RNA) where: Base-Base interactions energy: -768.862 where: short stacking energy: -351.689 Base-Backbone interact. energy: -1.667 local terms energy: -556.457282 where: bonds (distance) C4'-P energy: -135.989 bonds (distance) P-C4' energy: -150.858 flat angles C4'-P-C4' energy: -160.858 flat angles P-C4'-P energy: -82.173 tors. eta vs tors. theta energy: -26.579 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: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1036.758727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.758727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.758727 (E_RNA) where: Base-Base interactions energy: -550.350 where: short stacking energy: -281.009 Base-Backbone interact. energy: 0.212 local terms energy: -486.620961 where: bonds (distance) C4'-P energy: -149.731 bonds (distance) P-C4' energy: -147.123 flat angles C4'-P-C4' energy: -102.864 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -13.249 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: 435 Temperature: 1.350000 Total energy: -734.167167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.167167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.167167 (E_RNA) where: Base-Base interactions energy: -299.510 where: short stacking energy: -184.514 Base-Backbone interact. energy: 3.446 local terms energy: -438.103879 where: bonds (distance) C4'-P energy: -130.816 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -140.868 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: 47.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3130.861396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.861396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.861396 (E_RNA) where: Base-Base interactions energy: -2140.300 where: short stacking energy: -944.622 Base-Backbone interact. energy: -2.495 local terms energy: -988.066126 where: bonds (distance) C4'-P energy: -191.285 bonds (distance) P-C4' energy: -173.050 flat angles C4'-P-C4' energy: -210.205 flat angles P-C4'-P energy: -134.574 tors. eta vs tors. theta energy: -278.951 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: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3043.898771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.898771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.898771 (E_RNA) where: Base-Base interactions energy: -2067.747 where: short stacking energy: -927.425 Base-Backbone interact. energy: 1.844 local terms energy: -977.996024 where: bonds (distance) C4'-P energy: -168.249 bonds (distance) P-C4' energy: -182.073 flat angles C4'-P-C4' energy: -206.343 flat angles P-C4'-P energy: -142.006 tors. eta vs tors. theta energy: -279.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2934.224404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.224404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.224404 (E_RNA) where: Base-Base interactions energy: -2019.748 where: short stacking energy: -833.159 Base-Backbone interact. energy: -5.668 local terms energy: -908.808435 where: bonds (distance) C4'-P energy: -163.558 bonds (distance) P-C4' energy: -180.744 flat angles C4'-P-C4' energy: -191.924 flat angles P-C4'-P energy: -138.565 tors. eta vs tors. theta energy: -234.017 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: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2648.800917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.800917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.800917 (E_RNA) where: Base-Base interactions energy: -1783.929 where: short stacking energy: -784.187 Base-Backbone interact. energy: -1.823 local terms energy: -863.049469 where: bonds (distance) C4'-P energy: -158.633 bonds (distance) P-C4' energy: -189.230 flat angles C4'-P-C4' energy: -180.462 flat angles P-C4'-P energy: -117.324 tors. eta vs tors. theta energy: -217.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2423.939453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.939453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.939453 (E_RNA) where: Base-Base interactions energy: -1594.583 where: short stacking energy: -705.720 Base-Backbone interact. energy: -0.643 local terms energy: -828.713388 where: bonds (distance) C4'-P energy: -167.607 bonds (distance) P-C4' energy: -172.003 flat angles C4'-P-C4' energy: -176.436 flat angles P-C4'-P energy: -116.812 tors. eta vs tors. theta energy: -195.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2075.360763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.360763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.360763 (E_RNA) where: Base-Base interactions energy: -1335.091 where: short stacking energy: -614.869 Base-Backbone interact. energy: 3.044 local terms energy: -743.313769 where: bonds (distance) C4'-P energy: -147.561 bonds (distance) P-C4' energy: -175.045 flat angles C4'-P-C4' energy: -165.566 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -156.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1716.911583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.911583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.911583 (E_RNA) where: Base-Base interactions energy: -1034.458 where: short stacking energy: -492.550 Base-Backbone interact. energy: 0.712 local terms energy: -683.164988 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -162.902 flat angles C4'-P-C4' energy: -177.757 flat angles P-C4'-P energy: -95.014 tors. eta vs tors. theta energy: -90.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1279.541273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.541273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.541273 (E_RNA) where: Base-Base interactions energy: -699.667 where: short stacking energy: -339.854 Base-Backbone interact. energy: -2.572 local terms energy: -577.302560 where: bonds (distance) C4'-P energy: -157.326 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -145.909 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -32.727 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: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1039.045408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.045408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.045408 (E_RNA) where: Base-Base interactions energy: -521.234 where: short stacking energy: -264.281 Base-Backbone interact. energy: 1.064 local terms energy: -518.875316 where: bonds (distance) C4'-P energy: -142.034 bonds (distance) P-C4' energy: -159.941 flat angles C4'-P-C4' energy: -134.873 flat angles P-C4'-P energy: -70.390 tors. eta vs tors. theta energy: -11.637 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: 436 Temperature: 1.350000 Total energy: -725.585331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.585331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.585331 (E_RNA) where: Base-Base interactions energy: -240.953 where: short stacking energy: -172.408 Base-Backbone interact. energy: -1.965 local terms energy: -482.666861 where: bonds (distance) C4'-P energy: -140.123 bonds (distance) P-C4' energy: -178.468 flat angles C4'-P-C4' energy: -133.663 flat angles P-C4'-P energy: -66.994 tors. eta vs tors. theta energy: 36.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3106.069125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.069125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.069125 (E_RNA) where: Base-Base interactions energy: -2149.065 where: short stacking energy: -943.681 Base-Backbone interact. energy: 2.419 local terms energy: -959.422700 where: bonds (distance) C4'-P energy: -185.828 bonds (distance) P-C4' energy: -179.547 flat angles C4'-P-C4' energy: -190.560 flat angles P-C4'-P energy: -126.118 tors. eta vs tors. theta energy: -277.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2988.540180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.540180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.540180 (E_RNA) where: Base-Base interactions energy: -2012.784 where: short stacking energy: -916.913 Base-Backbone interact. energy: -1.880 local terms energy: -973.875614 where: bonds (distance) C4'-P energy: -162.178 bonds (distance) P-C4' energy: -176.830 flat angles C4'-P-C4' energy: -212.772 flat angles P-C4'-P energy: -148.777 tors. eta vs tors. theta energy: -273.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2900.054724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.054724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.054724 (E_RNA) where: Base-Base interactions energy: -1998.082 where: short stacking energy: -833.261 Base-Backbone interact. energy: -1.321 local terms energy: -900.652484 where: bonds (distance) C4'-P energy: -160.049 bonds (distance) P-C4' energy: -186.993 flat angles C4'-P-C4' energy: -198.002 flat angles P-C4'-P energy: -123.416 tors. eta vs tors. theta energy: -232.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2666.357763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.357763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.357763 (E_RNA) where: Base-Base interactions energy: -1810.399 where: short stacking energy: -802.802 Base-Backbone interact. energy: -1.738 local terms energy: -854.221230 where: bonds (distance) C4'-P energy: -160.972 bonds (distance) P-C4' energy: -176.457 flat angles C4'-P-C4' energy: -187.374 flat angles P-C4'-P energy: -115.181 tors. eta vs tors. theta energy: -214.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2374.776210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.776210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.776210 (E_RNA) where: Base-Base interactions energy: -1569.241 where: short stacking energy: -689.329 Base-Backbone interact. energy: 0.515 local terms energy: -806.050178 where: bonds (distance) C4'-P energy: -162.466 bonds (distance) P-C4' energy: -167.734 flat angles C4'-P-C4' energy: -174.172 flat angles P-C4'-P energy: -115.441 tors. eta vs tors. theta energy: -186.238 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: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2134.602732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.602732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.602732 (E_RNA) where: Base-Base interactions energy: -1377.625 where: short stacking energy: -624.277 Base-Backbone interact. energy: 1.012 local terms energy: -757.990633 where: bonds (distance) C4'-P energy: -143.144 bonds (distance) P-C4' energy: -165.171 flat angles C4'-P-C4' energy: -183.454 flat angles P-C4'-P energy: -118.123 tors. eta vs tors. theta energy: -148.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1667.621245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.621245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.621245 (E_RNA) where: Base-Base interactions energy: -1003.275 where: short stacking energy: -505.123 Base-Backbone interact. energy: 0.877 local terms energy: -665.223129 where: bonds (distance) C4'-P energy: -122.909 bonds (distance) P-C4' energy: -156.374 flat angles C4'-P-C4' energy: -180.314 flat angles P-C4'-P energy: -104.895 tors. eta vs tors. theta energy: -100.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1248.527258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.527258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.527258 (E_RNA) where: Base-Base interactions energy: -684.261 where: short stacking energy: -344.750 Base-Backbone interact. energy: -1.292 local terms energy: -562.974968 where: bonds (distance) C4'-P energy: -159.877 bonds (distance) P-C4' energy: -157.706 flat angles C4'-P-C4' energy: -149.686 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -21.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1036.170567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.170567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.170567 (E_RNA) where: Base-Base interactions energy: -472.460 where: short stacking energy: -261.066 Base-Backbone interact. energy: -5.619 local terms energy: -558.091359 where: bonds (distance) C4'-P energy: -164.613 bonds (distance) P-C4' energy: -166.866 flat angles C4'-P-C4' energy: -153.490 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -755.858685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.858685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.858685 (E_RNA) where: Base-Base interactions energy: -279.052 where: short stacking energy: -208.951 Base-Backbone interact. energy: 5.931 local terms energy: -482.736969 where: bonds (distance) C4'-P energy: -163.229 bonds (distance) P-C4' energy: -155.354 flat angles C4'-P-C4' energy: -124.747 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: 22.305 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) out arg RESULTS//1/linc-e3f0c9fb_01 DONE DONE DONEDONE DONE DONE