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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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-aca1197f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-aca1197f/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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -979.695493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.695493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.695493 (E_RNA) where: Base-Base interactions energy: -371.217 where: short stacking energy: -350.712 Base-Backbone interact. energy: 1.187 local terms energy: -609.664985 where: bonds (distance) C4'-P energy: -171.654 bonds (distance) P-C4' energy: -161.349 flat angles C4'-P-C4' energy: -147.778 flat angles P-C4'-P energy: -80.716 tors. eta vs tors. theta energy: -48.168 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -882.779080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.779080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.779080 (E_RNA) where: Base-Base interactions energy: -280.054 where: short stacking energy: -243.949 Base-Backbone interact. energy: 0.435 local terms energy: -603.159885 where: bonds (distance) C4'-P energy: -154.847 bonds (distance) P-C4' energy: -187.118 flat angles C4'-P-C4' energy: -147.184 flat angles P-C4'-P energy: -106.837 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -973.318504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.318504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.318504 (E_RNA) where: Base-Base interactions energy: -344.752 where: short stacking energy: -327.392 Base-Backbone interact. energy: -2.234 local terms energy: -626.333061 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -155.795 flat angles C4'-P-C4' energy: -171.469 flat angles P-C4'-P energy: -109.569 tors. eta vs tors. theta energy: -34.017 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: 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: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -811.353656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.353656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.353656 (E_RNA) where: Base-Base interactions energy: -272.238 where: short stacking energy: -259.779 Base-Backbone interact. energy: -0.959 local terms energy: -538.157553 where: bonds (distance) C4'-P energy: -160.168 bonds (distance) P-C4' energy: -158.569 flat angles C4'-P-C4' energy: -130.528 flat angles P-C4'-P energy: -83.219 tors. eta vs tors. theta energy: -5.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 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: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -993.888386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.888386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.888386 (E_RNA) where: Base-Base interactions energy: -422.622 where: short stacking energy: -326.670 Base-Backbone interact. energy: -0.060 local terms energy: -571.206061 where: bonds (distance) C4'-P energy: -131.080 bonds (distance) P-C4' energy: -163.921 flat angles C4'-P-C4' energy: -138.163 flat angles P-C4'-P energy: -104.980 tors. eta vs tors. theta energy: -33.062 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: 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: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -819.313708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.313708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.313708 (E_RNA) where: Base-Base interactions energy: -323.756 where: short stacking energy: -278.610 Base-Backbone interact. energy: 0.357 local terms energy: -495.915070 where: bonds (distance) C4'-P energy: -137.720 bonds (distance) P-C4' energy: -166.931 flat angles C4'-P-C4' energy: -121.629 flat angles P-C4'-P energy: -73.848 tors. eta vs tors. theta energy: 4.212 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: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -757.863133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.863133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.863133 (E_RNA) where: Base-Base interactions energy: -255.801 where: short stacking energy: -211.977 Base-Backbone interact. energy: 0.708 local terms energy: -502.769718 where: bonds (distance) C4'-P energy: -164.874 bonds (distance) P-C4' energy: -150.478 flat angles C4'-P-C4' energy: -141.165 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: 25.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1094.248827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.248827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.248827 (E_RNA) where: Base-Base interactions energy: -469.731 where: short stacking energy: -303.044 Base-Backbone interact. energy: 6.756 local terms energy: -631.273585 where: bonds (distance) C4'-P energy: -183.093 bonds (distance) P-C4' energy: -163.354 flat angles C4'-P-C4' energy: -149.915 flat angles P-C4'-P energy: -94.733 tors. eta vs tors. theta energy: -40.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -832.434432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.434432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.434432 (E_RNA) where: Base-Base interactions energy: -300.931 where: short stacking energy: -258.409 Base-Backbone interact. energy: -3.327 local terms energy: -528.175988 where: bonds (distance) C4'-P energy: -153.158 bonds (distance) P-C4' energy: -150.519 flat angles C4'-P-C4' energy: -143.732 flat angles P-C4'-P energy: -68.084 tors. eta vs tors. theta energy: -12.684 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: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -748.791503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.791503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.791503 (E_RNA) where: Base-Base interactions energy: -269.149 where: short stacking energy: -238.359 Base-Backbone interact. energy: 6.669 local terms energy: -486.311207 where: bonds (distance) C4'-P energy: -155.965 bonds (distance) P-C4' energy: -137.814 flat angles C4'-P-C4' energy: -134.800 flat angles P-C4'-P energy: -63.130 tors. eta vs tors. theta energy: 5.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1094.757898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.757898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.757898 (E_RNA) where: Base-Base interactions energy: -468.647 where: short stacking energy: -338.312 Base-Backbone interact. energy: -0.430 local terms energy: -625.681482 where: bonds (distance) C4'-P energy: -153.344 bonds (distance) P-C4' energy: -175.847 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -89.844 tors. eta vs tors. theta energy: -38.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -955.305544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.305544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.305544 (E_RNA) where: Base-Base interactions energy: -461.513 where: short stacking energy: -336.217 Base-Backbone interact. energy: 1.526 local terms energy: -495.318783 where: bonds (distance) C4'-P energy: -123.475 bonds (distance) P-C4' energy: -161.857 flat angles C4'-P-C4' energy: -130.384 flat angles P-C4'-P energy: -79.575 tors. eta vs tors. theta energy: -0.028 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: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -792.850169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.850169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.850169 (E_RNA) where: Base-Base interactions energy: -304.072 where: short stacking energy: -239.470 Base-Backbone interact. energy: -3.378 local terms energy: -485.399636 where: bonds (distance) C4'-P energy: -138.807 bonds (distance) P-C4' energy: -140.165 flat angles C4'-P-C4' energy: -157.736 flat angles P-C4'-P energy: -67.736 tors. eta vs tors. theta energy: 19.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -706.025848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.025848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.025848 (E_RNA) where: Base-Base interactions energy: -225.706 where: short stacking energy: -209.481 Base-Backbone interact. energy: -2.379 local terms energy: -477.940509 where: bonds (distance) C4'-P energy: -141.552 bonds (distance) P-C4' energy: -154.078 flat angles C4'-P-C4' energy: -138.605 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: 16.099 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: 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1256.597309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.597309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.597309 (E_RNA) where: Base-Base interactions energy: -615.576 where: short stacking energy: -409.967 Base-Backbone interact. energy: 0.578 local terms energy: -641.599232 where: bonds (distance) C4'-P energy: -145.187 bonds (distance) P-C4' energy: -163.761 flat angles C4'-P-C4' energy: -169.557 flat angles P-C4'-P energy: -105.617 tors. eta vs tors. theta energy: -57.477 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: 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1021.927969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.927969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.927969 (E_RNA) where: Base-Base interactions energy: -457.979 where: short stacking energy: -313.036 Base-Backbone interact. energy: -2.017 local terms energy: -561.931283 where: bonds (distance) C4'-P energy: -150.241 bonds (distance) P-C4' energy: -175.311 flat angles C4'-P-C4' energy: -126.638 flat angles P-C4'-P energy: -88.418 tors. eta vs tors. theta energy: -21.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -825.303112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.303112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.303112 (E_RNA) where: Base-Base interactions energy: -284.254 where: short stacking energy: -241.134 Base-Backbone interact. energy: 0.622 local terms energy: -541.671183 where: bonds (distance) C4'-P energy: -155.679 bonds (distance) P-C4' energy: -170.833 flat angles C4'-P-C4' energy: -151.342 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: 12.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -742.712569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.712569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.712569 (E_RNA) where: Base-Base interactions energy: -242.265 where: short stacking energy: -220.763 Base-Backbone interact. energy: 1.207 local terms energy: -501.653646 where: bonds (distance) C4'-P energy: -142.692 bonds (distance) P-C4' energy: -175.502 flat angles C4'-P-C4' energy: -133.627 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: 15.923 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -736.674144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.674144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.674144 (E_RNA) where: Base-Base interactions energy: -270.168 where: short stacking energy: -203.504 Base-Backbone interact. energy: -1.045 local terms energy: -465.461076 where: bonds (distance) C4'-P energy: -155.071 bonds (distance) P-C4' energy: -166.953 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: 36.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1417.844195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.844195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.844195 (E_RNA) where: Base-Base interactions energy: -748.330 where: short stacking energy: -466.971 Base-Backbone interact. energy: 2.312 local terms energy: -671.826058 where: bonds (distance) C4'-P energy: -148.690 bonds (distance) P-C4' energy: -182.113 flat angles C4'-P-C4' energy: -152.444 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -94.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1077.105437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.105437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.105437 (E_RNA) where: Base-Base interactions energy: -478.727 where: short stacking energy: -320.822 Base-Backbone interact. energy: 2.447 local terms energy: -600.826047 where: bonds (distance) C4'-P energy: -144.282 bonds (distance) P-C4' energy: -175.631 flat angles C4'-P-C4' energy: -173.360 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: -42.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -806.281065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.281065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.281065 (E_RNA) where: Base-Base interactions energy: -289.018 where: short stacking energy: -227.025 Base-Backbone interact. energy: -0.952 local terms energy: -516.310996 where: bonds (distance) C4'-P energy: -144.344 bonds (distance) P-C4' energy: -157.290 flat angles C4'-P-C4' energy: -132.311 flat angles P-C4'-P energy: -78.239 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -708.048903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.048903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.048903 (E_RNA) where: Base-Base interactions energy: -227.513 where: short stacking energy: -210.030 Base-Backbone interact. energy: -0.062 local terms energy: -480.474061 where: bonds (distance) C4'-P energy: -158.818 bonds (distance) P-C4' energy: -163.667 flat angles C4'-P-C4' energy: -121.482 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: 28.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -754.611027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.611027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.611027 (E_RNA) where: Base-Base interactions energy: -269.080 where: short stacking energy: -195.608 Base-Backbone interact. energy: 0.862 local terms energy: -486.392974 where: bonds (distance) C4'-P energy: -156.212 bonds (distance) P-C4' energy: -149.295 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -77.778 tors. eta vs tors. theta energy: 32.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 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: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1705.210359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.210359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.210359 (E_RNA) where: Base-Base interactions energy: -971.267 where: short stacking energy: -526.672 Base-Backbone interact. energy: -0.894 local terms energy: -733.049212 where: bonds (distance) C4'-P energy: -165.795 bonds (distance) P-C4' energy: -184.171 flat angles C4'-P-C4' energy: -177.380 flat angles P-C4'-P energy: -103.078 tors. eta vs tors. theta energy: -102.625 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: 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1145.353721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.353721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.353721 (E_RNA) where: Base-Base interactions energy: -542.591 where: short stacking energy: -356.128 Base-Backbone interact. energy: 3.727 local terms energy: -606.489459 where: bonds (distance) C4'-P energy: -150.007 bonds (distance) P-C4' energy: -152.898 flat angles C4'-P-C4' energy: -151.870 flat angles P-C4'-P energy: -109.376 tors. eta vs tors. theta energy: -42.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -899.033045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.033045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.033045 (E_RNA) where: Base-Base interactions energy: -356.643 where: short stacking energy: -265.678 Base-Backbone interact. energy: -2.145 local terms energy: -540.245016 where: bonds (distance) C4'-P energy: -151.308 bonds (distance) P-C4' energy: -176.248 flat angles C4'-P-C4' energy: -141.138 flat angles P-C4'-P energy: -66.472 tors. eta vs tors. theta energy: -5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -876.589689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.589689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.589689 (E_RNA) where: Base-Base interactions energy: -382.400 where: short stacking energy: -268.931 Base-Backbone interact. energy: 2.161 local terms energy: -496.350711 where: bonds (distance) C4'-P energy: -122.735 bonds (distance) P-C4' energy: -174.414 flat angles C4'-P-C4' energy: -120.072 flat angles P-C4'-P energy: -93.938 tors. eta vs tors. theta energy: 14.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -794.469881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.469881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.469881 (E_RNA) where: Base-Base interactions energy: -290.053 where: short stacking energy: -209.241 Base-Backbone interact. energy: 0.776 local terms energy: -505.193144 where: bonds (distance) C4'-P energy: -170.794 bonds (distance) P-C4' energy: -147.019 flat angles C4'-P-C4' energy: -132.267 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: 33.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -673.697310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.697310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.697310 (E_RNA) where: Base-Base interactions energy: -221.818 where: short stacking energy: -173.363 Base-Backbone interact. energy: -0.641 local terms energy: -451.238378 where: bonds (distance) C4'-P energy: -136.246 bonds (distance) P-C4' energy: -137.194 flat angles C4'-P-C4' energy: -123.249 flat angles P-C4'-P energy: -77.862 tors. eta vs tors. theta energy: 23.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 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: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1931.180519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.180519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.180519 (E_RNA) where: Base-Base interactions energy: -1095.930 where: short stacking energy: -641.055 Base-Backbone interact. energy: -3.700 local terms energy: -831.551343 where: bonds (distance) C4'-P energy: -173.862 bonds (distance) P-C4' energy: -171.311 flat angles C4'-P-C4' energy: -204.958 flat angles P-C4'-P energy: -116.291 tors. eta vs tors. theta energy: -165.130 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: 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: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1176.280806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.280806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.280806 (E_RNA) where: Base-Base interactions energy: -569.260 where: short stacking energy: -351.387 Base-Backbone interact. energy: 5.986 local terms energy: -613.006885 where: bonds (distance) C4'-P energy: -157.187 bonds (distance) P-C4' energy: -156.794 flat angles C4'-P-C4' energy: -163.549 flat angles P-C4'-P energy: -93.355 tors. eta vs tors. theta energy: -42.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -908.290159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.290159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.290159 (E_RNA) where: Base-Base interactions energy: -333.694 where: short stacking energy: -261.055 Base-Backbone interact. energy: 1.830 local terms energy: -576.426472 where: bonds (distance) C4'-P energy: -161.332 bonds (distance) P-C4' energy: -169.314 flat angles C4'-P-C4' energy: -149.836 flat angles P-C4'-P energy: -96.319 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -939.480577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.480577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.480577 (E_RNA) where: Base-Base interactions energy: -393.518 where: short stacking energy: -278.068 Base-Backbone interact. energy: -0.608 local terms energy: -545.354720 where: bonds (distance) C4'-P energy: -168.384 bonds (distance) P-C4' energy: -160.158 flat angles C4'-P-C4' energy: -139.176 flat angles P-C4'-P energy: -81.098 tors. eta vs tors. theta energy: 3.461 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -776.769053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.769053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.769053 (E_RNA) where: Base-Base interactions energy: -278.256 where: short stacking energy: -201.614 Base-Backbone interact. energy: 1.685 local terms energy: -500.198201 where: bonds (distance) C4'-P energy: -150.996 bonds (distance) P-C4' energy: -163.427 flat angles C4'-P-C4' energy: -138.666 flat angles P-C4'-P energy: -89.143 tors. eta vs tors. theta energy: 42.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -694.138371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.138371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.138371 (E_RNA) where: Base-Base interactions energy: -240.296 where: short stacking energy: -197.126 Base-Backbone interact. energy: 1.393 local terms energy: -455.235977 where: bonds (distance) C4'-P energy: -154.508 bonds (distance) P-C4' energy: -149.904 flat angles C4'-P-C4' energy: -136.052 flat angles P-C4'-P energy: -58.227 tors. eta vs tors. theta energy: 43.455 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: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2033.885057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.885057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.885057 (E_RNA) where: Base-Base interactions energy: -1205.016 where: short stacking energy: -651.412 Base-Backbone interact. energy: -3.738 local terms energy: -825.131813 where: bonds (distance) C4'-P energy: -181.242 bonds (distance) P-C4' energy: -182.219 flat angles C4'-P-C4' energy: -195.747 flat angles P-C4'-P energy: -118.001 tors. eta vs tors. theta energy: -147.923 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: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1915.486943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.486943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.486943 (E_RNA) where: Base-Base interactions energy: -1077.878 where: short stacking energy: -696.365 Base-Backbone interact. energy: -0.851 local terms energy: -836.758710 where: bonds (distance) C4'-P energy: -183.274 bonds (distance) P-C4' energy: -168.470 flat angles C4'-P-C4' energy: -186.849 flat angles P-C4'-P energy: -120.722 tors. eta vs tors. theta energy: -177.445 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: 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: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1203.998555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.998555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.998555 (E_RNA) where: Base-Base interactions energy: -599.812 where: short stacking energy: -386.924 Base-Backbone interact. energy: 4.929 local terms energy: -609.115596 where: bonds (distance) C4'-P energy: -142.982 bonds (distance) P-C4' energy: -154.390 flat angles C4'-P-C4' energy: -179.250 flat angles P-C4'-P energy: -90.370 tors. eta vs tors. theta energy: -42.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -901.038621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.038621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.038621 (E_RNA) where: Base-Base interactions energy: -345.030 where: short stacking energy: -252.090 Base-Backbone interact. energy: -2.346 local terms energy: -553.662461 where: bonds (distance) C4'-P energy: -146.988 bonds (distance) P-C4' energy: -164.907 flat angles C4'-P-C4' energy: -153.970 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: 5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -877.547807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.547807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.547807 (E_RNA) where: Base-Base interactions energy: -352.172 where: short stacking energy: -257.395 Base-Backbone interact. energy: -3.724 local terms energy: -521.651217 where: bonds (distance) C4'-P energy: -147.137 bonds (distance) P-C4' energy: -155.128 flat angles C4'-P-C4' energy: -150.969 flat angles P-C4'-P energy: -79.949 tors. eta vs tors. theta energy: 11.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -737.976398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.976398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.976398 (E_RNA) where: Base-Base interactions energy: -245.402 where: short stacking energy: -216.017 Base-Backbone interact. energy: 1.547 local terms energy: -494.121000 where: bonds (distance) C4'-P energy: -161.762 bonds (distance) P-C4' energy: -149.847 flat angles C4'-P-C4' energy: -128.159 flat angles P-C4'-P energy: -72.177 tors. eta vs tors. theta energy: 17.823 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -713.688697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.688697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.688697 (E_RNA) where: Base-Base interactions energy: -281.405 where: short stacking energy: -213.263 Base-Backbone interact. energy: 2.728 local terms energy: -435.011813 where: bonds (distance) C4'-P energy: -116.299 bonds (distance) P-C4' energy: -145.733 flat angles C4'-P-C4' energy: -134.727 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: 31.991 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: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2197.643463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.643463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.643463 (E_RNA) where: Base-Base interactions energy: -1324.228 where: short stacking energy: -711.088 Base-Backbone interact. energy: -2.444 local terms energy: -870.971621 where: bonds (distance) C4'-P energy: -184.954 bonds (distance) P-C4' energy: -179.906 flat angles C4'-P-C4' energy: -207.279 flat angles P-C4'-P energy: -128.336 tors. eta vs tors. theta energy: -170.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1828.054808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.054808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.054808 (E_RNA) where: Base-Base interactions energy: -1006.638 where: short stacking energy: -647.799 Base-Backbone interact. energy: 0.935 local terms energy: -822.352017 where: bonds (distance) C4'-P energy: -191.363 bonds (distance) P-C4' energy: -173.949 flat angles C4'-P-C4' energy: -195.466 flat angles P-C4'-P energy: -108.316 tors. eta vs tors. theta energy: -153.257 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: 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: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1203.952494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.952494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.952494 (E_RNA) where: Base-Base interactions energy: -598.975 where: short stacking energy: -367.341 Base-Backbone interact. energy: -2.658 local terms energy: -602.319713 where: bonds (distance) C4'-P energy: -161.320 bonds (distance) P-C4' energy: -167.557 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -87.153 tors. eta vs tors. theta energy: -43.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -982.418484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.418484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.418484 (E_RNA) where: Base-Base interactions energy: -437.811 where: short stacking energy: -289.001 Base-Backbone interact. energy: 2.208 local terms energy: -546.815479 where: bonds (distance) C4'-P energy: -161.424 bonds (distance) P-C4' energy: -151.382 flat angles C4'-P-C4' energy: -133.923 flat angles P-C4'-P energy: -91.728 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -906.058104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.058104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.058104 (E_RNA) where: Base-Base interactions energy: -426.703 where: short stacking energy: -267.401 Base-Backbone interact. energy: 7.910 local terms energy: -487.264781 where: bonds (distance) C4'-P energy: -134.412 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -137.305 flat angles P-C4'-P energy: -79.350 tors. eta vs tors. theta energy: 9.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -723.674950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.674950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.674950 (E_RNA) where: Base-Base interactions energy: -226.933 where: short stacking energy: -178.257 Base-Backbone interact. energy: -0.940 local terms energy: -495.802185 where: bonds (distance) C4'-P energy: -158.663 bonds (distance) P-C4' energy: -173.219 flat angles C4'-P-C4' energy: -137.028 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: 45.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -712.683117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.683117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.683117 (E_RNA) where: Base-Base interactions energy: -251.699 where: short stacking energy: -179.699 Base-Backbone interact. energy: -4.454 local terms energy: -456.530469 where: bonds (distance) C4'-P energy: -156.080 bonds (distance) P-C4' energy: -139.801 flat angles C4'-P-C4' energy: -127.112 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: 36.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2187.227615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.227615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.227615 (E_RNA) where: Base-Base interactions energy: -1326.545 where: short stacking energy: -667.073 Base-Backbone interact. energy: -0.582 local terms energy: -860.101369 where: bonds (distance) C4'-P energy: -175.236 bonds (distance) P-C4' energy: -187.227 flat angles C4'-P-C4' energy: -206.561 flat angles P-C4'-P energy: -126.192 tors. eta vs tors. theta energy: -164.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1807.429823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.429823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.429823 (E_RNA) where: Base-Base interactions energy: -998.321 where: short stacking energy: -626.582 Base-Backbone interact. energy: -0.089 local terms energy: -809.019806 where: bonds (distance) C4'-P energy: -171.475 bonds (distance) P-C4' energy: -188.746 flat angles C4'-P-C4' energy: -183.427 flat angles P-C4'-P energy: -111.079 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: 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: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1354.412661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.412661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.412661 (E_RNA) where: Base-Base interactions energy: -678.390 where: short stacking energy: -420.015 Base-Backbone interact. energy: -3.110 local terms energy: -672.912293 where: bonds (distance) C4'-P energy: -173.206 bonds (distance) P-C4' energy: -161.561 flat angles C4'-P-C4' energy: -162.406 flat angles P-C4'-P energy: -103.812 tors. eta vs tors. theta energy: -71.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1017.441752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.441752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.441752 (E_RNA) where: Base-Base interactions energy: -420.104 where: short stacking energy: -309.864 Base-Backbone interact. energy: -0.107 local terms energy: -597.230619 where: bonds (distance) C4'-P energy: -157.364 bonds (distance) P-C4' energy: -182.312 flat angles C4'-P-C4' energy: -162.369 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -20.614 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: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -960.585694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.585694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.585694 (E_RNA) where: Base-Base interactions energy: -406.630 where: short stacking energy: -261.954 Base-Backbone interact. energy: 2.201 local terms energy: -556.156093 where: bonds (distance) C4'-P energy: -163.604 bonds (distance) P-C4' energy: -161.010 flat angles C4'-P-C4' energy: -138.735 flat angles P-C4'-P energy: -93.910 tors. eta vs tors. theta energy: 1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -853.687977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.687977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.687977 (E_RNA) where: Base-Base interactions energy: -345.730 where: short stacking energy: -235.327 Base-Backbone interact. energy: 1.454 local terms energy: -509.412377 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -174.514 flat angles C4'-P-C4' energy: -147.616 flat angles P-C4'-P energy: -69.946 tors. eta vs tors. theta energy: 16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -733.035385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.035385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.035385 (E_RNA) where: Base-Base interactions energy: -287.278 where: short stacking energy: -212.567 Base-Backbone interact. energy: 1.201 local terms energy: -446.958804 where: bonds (distance) C4'-P energy: -143.891 bonds (distance) P-C4' energy: -126.810 flat angles C4'-P-C4' energy: -124.604 flat angles P-C4'-P energy: -71.043 tors. eta vs tors. theta energy: 19.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2234.924967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.924967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.924967 (E_RNA) where: Base-Base interactions energy: -1377.585 where: short stacking energy: -710.531 Base-Backbone interact. energy: -0.199 local terms energy: -857.140968 where: bonds (distance) C4'-P energy: -181.352 bonds (distance) P-C4' energy: -189.993 flat angles C4'-P-C4' energy: -179.401 flat angles P-C4'-P energy: -119.562 tors. eta vs tors. theta energy: -186.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1805.812544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.812544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.812544 (E_RNA) where: Base-Base interactions energy: -990.258 where: short stacking energy: -617.439 Base-Backbone interact. energy: -3.543 local terms energy: -812.011113 where: bonds (distance) C4'-P energy: -171.651 bonds (distance) P-C4' energy: -175.992 flat angles C4'-P-C4' energy: -183.602 flat angles P-C4'-P energy: -137.637 tors. eta vs tors. theta energy: -143.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1412.887227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.887227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.887227 (E_RNA) where: Base-Base interactions energy: -726.446 where: short stacking energy: -425.830 Base-Backbone interact. energy: -0.737 local terms energy: -685.704606 where: bonds (distance) C4'-P energy: -145.166 bonds (distance) P-C4' energy: -180.014 flat angles C4'-P-C4' energy: -184.638 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -71.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -967.556030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.556030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.556030 (E_RNA) where: Base-Base interactions energy: -413.339 where: short stacking energy: -278.761 Base-Backbone interact. energy: -3.882 local terms energy: -550.335098 where: bonds (distance) C4'-P energy: -161.750 bonds (distance) P-C4' energy: -155.464 flat angles C4'-P-C4' energy: -138.914 flat angles P-C4'-P energy: -87.613 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -980.783192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.783192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.783192 (E_RNA) where: Base-Base interactions energy: -455.444 where: short stacking energy: -278.972 Base-Backbone interact. energy: 1.922 local terms energy: -527.260962 where: bonds (distance) C4'-P energy: -153.026 bonds (distance) P-C4' energy: -149.374 flat angles C4'-P-C4' energy: -151.834 flat angles P-C4'-P energy: -73.371 tors. eta vs tors. theta energy: 0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -849.561837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.561837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.561837 (E_RNA) where: Base-Base interactions energy: -374.419 where: short stacking energy: -216.257 Base-Backbone interact. energy: 3.917 local terms energy: -479.059515 where: bonds (distance) C4'-P energy: -141.271 bonds (distance) P-C4' energy: -145.051 flat angles C4'-P-C4' energy: -129.874 flat angles P-C4'-P energy: -81.978 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -746.404026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.404026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.404026 (E_RNA) where: Base-Base interactions energy: -294.115 where: short stacking energy: -192.558 Base-Backbone interact. energy: 3.189 local terms energy: -455.477954 where: bonds (distance) C4'-P energy: -131.243 bonds (distance) P-C4' energy: -163.857 flat angles C4'-P-C4' energy: -121.246 flat angles P-C4'-P energy: -57.576 tors. eta vs tors. theta energy: 18.444 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: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2306.464134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.464134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.464134 (E_RNA) where: Base-Base interactions energy: -1404.192 where: short stacking energy: -722.435 Base-Backbone interact. energy: -1.250 local terms energy: -901.021952 where: bonds (distance) C4'-P energy: -183.969 bonds (distance) P-C4' energy: -183.983 flat angles C4'-P-C4' energy: -207.419 flat angles P-C4'-P energy: -143.645 tors. eta vs tors. theta energy: -182.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1896.278563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.278563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.278563 (E_RNA) where: Base-Base interactions energy: -1074.426 where: short stacking energy: -628.576 Base-Backbone interact. energy: 1.746 local terms energy: -823.598484 where: bonds (distance) C4'-P energy: -169.114 bonds (distance) P-C4' energy: -173.897 flat angles C4'-P-C4' energy: -192.932 flat angles P-C4'-P energy: -125.409 tors. eta vs tors. theta energy: -162.246 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: 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: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1479.790706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.790706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.790706 (E_RNA) where: Base-Base interactions energy: -814.438 where: short stacking energy: -433.296 Base-Backbone interact. energy: -1.734 local terms energy: -663.619011 where: bonds (distance) C4'-P energy: -170.409 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -170.392 flat angles P-C4'-P energy: -92.836 tors. eta vs tors. theta energy: -77.199 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: 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1000.646370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.646370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.646370 (E_RNA) where: Base-Base interactions energy: -422.045 where: short stacking energy: -276.286 Base-Backbone interact. energy: 6.207 local terms energy: -584.808093 where: bonds (distance) C4'-P energy: -147.445 bonds (distance) P-C4' energy: -171.187 flat angles C4'-P-C4' energy: -160.099 flat angles P-C4'-P energy: -101.625 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1020.275650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.275650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.275650 (E_RNA) where: Base-Base interactions energy: -483.027 where: short stacking energy: -311.760 Base-Backbone interact. energy: 3.999 local terms energy: -541.248054 where: bonds (distance) C4'-P energy: -148.610 bonds (distance) P-C4' energy: -158.592 flat angles C4'-P-C4' energy: -134.753 flat angles P-C4'-P energy: -90.552 tors. eta vs tors. theta energy: -8.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -900.023302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.023302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.023302 (E_RNA) where: Base-Base interactions energy: -389.282 where: short stacking energy: -249.219 Base-Backbone interact. energy: 6.758 local terms energy: -517.499459 where: bonds (distance) C4'-P energy: -146.468 bonds (distance) P-C4' energy: -162.059 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -71.489 tors. eta vs tors. theta energy: 4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -677.451004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.451004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.451004 (E_RNA) where: Base-Base interactions energy: -186.643 where: short stacking energy: -171.632 Base-Backbone interact. energy: -0.897 local terms energy: -489.911251 where: bonds (distance) C4'-P energy: -145.368 bonds (distance) P-C4' energy: -146.279 flat angles C4'-P-C4' energy: -144.252 flat angles P-C4'-P energy: -86.301 tors. eta vs tors. theta energy: 32.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2310.417043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.417043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.417043 (E_RNA) where: Base-Base interactions energy: -1451.857 where: short stacking energy: -730.492 Base-Backbone interact. energy: 0.280 local terms energy: -858.839460 where: bonds (distance) C4'-P energy: -178.923 bonds (distance) P-C4' energy: -182.678 flat angles C4'-P-C4' energy: -191.005 flat angles P-C4'-P energy: -112.287 tors. eta vs tors. theta energy: -193.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1882.488975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.488975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.488975 (E_RNA) where: Base-Base interactions energy: -1066.436 where: short stacking energy: -641.433 Base-Backbone interact. energy: 0.965 local terms energy: -817.018245 where: bonds (distance) C4'-P energy: -159.729 bonds (distance) P-C4' energy: -183.938 flat angles C4'-P-C4' energy: -193.588 flat angles P-C4'-P energy: -126.633 tors. eta vs tors. theta energy: -153.130 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: 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: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1623.292000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.292000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.292000 (E_RNA) where: Base-Base interactions energy: -886.360 where: short stacking energy: -507.422 Base-Backbone interact. energy: 1.767 local terms energy: -738.699163 where: bonds (distance) C4'-P energy: -181.341 bonds (distance) P-C4' energy: -184.390 flat angles C4'-P-C4' energy: -155.528 flat angles P-C4'-P energy: -126.112 tors. eta vs tors. theta energy: -91.328 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: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1444.761791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.761791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.761791 (E_RNA) where: Base-Base interactions energy: -775.945 where: short stacking energy: -433.187 Base-Backbone interact. energy: -1.356 local terms energy: -667.460428 where: bonds (distance) C4'-P energy: -145.372 bonds (distance) P-C4' energy: -171.750 flat angles C4'-P-C4' energy: -171.542 flat angles P-C4'-P energy: -113.086 tors. eta vs tors. theta energy: -65.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -985.698700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.698700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.698700 (E_RNA) where: Base-Base interactions energy: -459.891 where: short stacking energy: -306.674 Base-Backbone interact. energy: 4.812 local terms energy: -530.619806 where: bonds (distance) C4'-P energy: -137.060 bonds (distance) P-C4' energy: -166.971 flat angles C4'-P-C4' energy: -132.175 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -10.851 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: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -953.720511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.720511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.720511 (E_RNA) where: Base-Base interactions energy: -422.137 where: short stacking energy: -268.547 Base-Backbone interact. energy: -4.313 local terms energy: -527.271045 where: bonds (distance) C4'-P energy: -152.516 bonds (distance) P-C4' energy: -146.832 flat angles C4'-P-C4' energy: -146.285 flat angles P-C4'-P energy: -80.083 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -909.301846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.301846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.301846 (E_RNA) where: Base-Base interactions energy: -380.269 where: short stacking energy: -227.729 Base-Backbone interact. energy: -0.137 local terms energy: -528.895794 where: bonds (distance) C4'-P energy: -147.957 bonds (distance) P-C4' energy: -148.327 flat angles C4'-P-C4' energy: -147.687 flat angles P-C4'-P energy: -82.892 tors. eta vs tors. theta energy: -2.033 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: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -705.988486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.988486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.988486 (E_RNA) where: Base-Base interactions energy: -227.234 where: short stacking energy: -183.532 Base-Backbone interact. energy: 1.048 local terms energy: -479.802718 where: bonds (distance) C4'-P energy: -135.734 bonds (distance) P-C4' energy: -141.791 flat angles C4'-P-C4' energy: -135.384 flat angles P-C4'-P energy: -96.190 tors. eta vs tors. theta energy: 29.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2308.260463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.260463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.260463 (E_RNA) where: Base-Base interactions energy: -1446.453 where: short stacking energy: -730.533 Base-Backbone interact. energy: -4.789 local terms energy: -857.018626 where: bonds (distance) C4'-P energy: -159.723 bonds (distance) P-C4' energy: -178.719 flat angles C4'-P-C4' energy: -195.596 flat angles P-C4'-P energy: -135.071 tors. eta vs tors. theta energy: -187.909 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: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1892.528498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.528498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.528498 (E_RNA) where: Base-Base interactions energy: -1107.359 where: short stacking energy: -631.376 Base-Backbone interact. energy: -1.857 local terms energy: -783.312740 where: bonds (distance) C4'-P energy: -160.330 bonds (distance) P-C4' energy: -169.138 flat angles C4'-P-C4' energy: -195.993 flat angles P-C4'-P energy: -119.266 tors. eta vs tors. theta energy: -138.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1674.866994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.866994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.866994 (E_RNA) where: Base-Base interactions energy: -953.027 where: short stacking energy: -495.184 Base-Backbone interact. energy: 4.446 local terms energy: -726.285606 where: bonds (distance) C4'-P energy: -154.610 bonds (distance) P-C4' energy: -181.390 flat angles C4'-P-C4' energy: -187.718 flat angles P-C4'-P energy: -95.175 tors. eta vs tors. theta energy: -107.392 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: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1441.327856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.327856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.327856 (E_RNA) where: Base-Base interactions energy: -767.619 where: short stacking energy: -444.495 Base-Backbone interact. energy: 2.072 local terms energy: -675.780440 where: bonds (distance) C4'-P energy: -154.265 bonds (distance) P-C4' energy: -179.894 flat angles C4'-P-C4' energy: -165.727 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -73.388 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: 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: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1160.807591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.807591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.807591 (E_RNA) where: Base-Base interactions energy: -550.200 where: short stacking energy: -339.788 Base-Backbone interact. energy: 3.438 local terms energy: -614.045682 where: bonds (distance) C4'-P energy: -135.619 bonds (distance) P-C4' energy: -171.433 flat angles C4'-P-C4' energy: -167.119 flat angles P-C4'-P energy: -93.894 tors. eta vs tors. theta energy: -45.981 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: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -946.548485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.548485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.548485 (E_RNA) where: Base-Base interactions energy: -444.391 where: short stacking energy: -256.298 Base-Backbone interact. energy: 8.803 local terms energy: -510.960289 where: bonds (distance) C4'-P energy: -152.092 bonds (distance) P-C4' energy: -152.824 flat angles C4'-P-C4' energy: -136.646 flat angles P-C4'-P energy: -73.619 tors. eta vs tors. theta energy: 4.221 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: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -795.146277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.146277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.146277 (E_RNA) where: Base-Base interactions energy: -299.233 where: short stacking energy: -203.937 Base-Backbone interact. energy: -2.948 local terms energy: -492.965270 where: bonds (distance) C4'-P energy: -138.853 bonds (distance) P-C4' energy: -130.957 flat angles C4'-P-C4' energy: -135.127 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: 8.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -680.389752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.389752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.389752 (E_RNA) where: Base-Base interactions energy: -250.121 where: short stacking energy: -218.853 Base-Backbone interact. energy: 6.385 local terms energy: -436.654069 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -162.441 flat angles C4'-P-C4' energy: -122.693 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: 33.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2330.044751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.044751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.044751 (E_RNA) where: Base-Base interactions energy: -1447.746 where: short stacking energy: -752.636 Base-Backbone interact. energy: -1.961 local terms energy: -880.338300 where: bonds (distance) C4'-P energy: -171.649 bonds (distance) P-C4' energy: -182.783 flat angles C4'-P-C4' energy: -205.396 flat angles P-C4'-P energy: -125.404 tors. eta vs tors. theta energy: -195.105 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: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1922.611542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.611542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.611542 (E_RNA) where: Base-Base interactions energy: -1106.044 where: short stacking energy: -652.044 Base-Backbone interact. energy: -0.447 local terms energy: -816.120122 where: bonds (distance) C4'-P energy: -178.260 bonds (distance) P-C4' energy: -161.524 flat angles C4'-P-C4' energy: -192.736 flat angles P-C4'-P energy: -125.851 tors. eta vs tors. theta energy: -157.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1883.015655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.015655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.015655 (E_RNA) where: Base-Base interactions energy: -1084.672 where: short stacking energy: -607.870 Base-Backbone interact. energy: -4.141 local terms energy: -794.202173 where: bonds (distance) C4'-P energy: -166.499 bonds (distance) P-C4' energy: -175.583 flat angles C4'-P-C4' energy: -200.600 flat angles P-C4'-P energy: -119.675 tors. eta vs tors. theta energy: -131.845 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: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1729.714455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.714455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.714455 (E_RNA) where: Base-Base interactions energy: -958.862 where: short stacking energy: -521.648 Base-Backbone interact. energy: 2.625 local terms energy: -773.476966 where: bonds (distance) C4'-P energy: -170.704 bonds (distance) P-C4' energy: -186.470 flat angles C4'-P-C4' energy: -191.344 flat angles P-C4'-P energy: -103.088 tors. eta vs tors. theta energy: -121.871 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: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1444.057419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.057419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.057419 (E_RNA) where: Base-Base interactions energy: -780.566 where: short stacking energy: -430.419 Base-Backbone interact. energy: -2.410 local terms energy: -661.082030 where: bonds (distance) C4'-P energy: -150.864 bonds (distance) P-C4' energy: -170.287 flat angles C4'-P-C4' energy: -142.790 flat angles P-C4'-P energy: -109.246 tors. eta vs tors. theta energy: -87.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1152.239121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.239121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.239121 (E_RNA) where: Base-Base interactions energy: -581.554 where: short stacking energy: -329.120 Base-Backbone interact. energy: -2.352 local terms energy: -568.333208 where: bonds (distance) C4'-P energy: -153.506 bonds (distance) P-C4' energy: -175.885 flat angles C4'-P-C4' energy: -136.907 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: -23.527 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: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -949.465442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.465442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.465442 (E_RNA) where: Base-Base interactions energy: -426.829 where: short stacking energy: -260.102 Base-Backbone interact. energy: -0.244 local terms energy: -522.392122 where: bonds (distance) C4'-P energy: -155.437 bonds (distance) P-C4' energy: -160.197 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -71.963 tors. eta vs tors. theta energy: -7.128 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -715.528934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.528934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.528934 (E_RNA) where: Base-Base interactions energy: -244.691 where: short stacking energy: -180.972 Base-Backbone interact. energy: 1.695 local terms energy: -472.533271 where: bonds (distance) C4'-P energy: -160.024 bonds (distance) P-C4' energy: -157.208 flat angles C4'-P-C4' energy: -123.566 flat angles P-C4'-P energy: -54.914 tors. eta vs tors. theta energy: 23.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -740.922803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.922803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.922803 (E_RNA) where: Base-Base interactions energy: -279.367 where: short stacking energy: -185.103 Base-Backbone interact. energy: -2.810 local terms energy: -458.745752 where: bonds (distance) C4'-P energy: -124.697 bonds (distance) P-C4' energy: -142.459 flat angles C4'-P-C4' energy: -131.639 flat angles P-C4'-P energy: -94.856 tors. eta vs tors. theta energy: 34.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2405.091227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.091227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.091227 (E_RNA) where: Base-Base interactions energy: -1524.554 where: short stacking energy: -744.029 Base-Backbone interact. energy: -1.504 local terms energy: -879.033235 where: bonds (distance) C4'-P energy: -176.745 bonds (distance) P-C4' energy: -182.145 flat angles C4'-P-C4' energy: -203.285 flat angles P-C4'-P energy: -116.616 tors. eta vs tors. theta energy: -200.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1946.965716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.965716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.965716 (E_RNA) where: Base-Base interactions energy: -1129.129 where: short stacking energy: -652.978 Base-Backbone interact. energy: 2.122 local terms energy: -819.959476 where: bonds (distance) C4'-P energy: -171.098 bonds (distance) P-C4' energy: -169.931 flat angles C4'-P-C4' energy: -188.775 flat angles P-C4'-P energy: -136.759 tors. eta vs tors. theta energy: -153.397 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: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1862.369986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.369986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.369986 (E_RNA) where: Base-Base interactions energy: -1062.775 where: short stacking energy: -569.855 Base-Backbone interact. energy: -1.900 local terms energy: -797.694182 where: bonds (distance) C4'-P energy: -168.278 bonds (distance) P-C4' energy: -189.086 flat angles C4'-P-C4' energy: -196.013 flat angles P-C4'-P energy: -111.914 tors. eta vs tors. theta energy: -132.403 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1711.813508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.813508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.813508 (E_RNA) where: Base-Base interactions energy: -995.916 where: short stacking energy: -534.324 Base-Backbone interact. energy: -0.886 local terms energy: -715.011331 where: bonds (distance) C4'-P energy: -156.231 bonds (distance) P-C4' energy: -167.351 flat angles C4'-P-C4' energy: -168.592 flat angles P-C4'-P energy: -110.800 tors. eta vs tors. theta energy: -112.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1450.909741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.909741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.909741 (E_RNA) where: Base-Base interactions energy: -775.267 where: short stacking energy: -440.100 Base-Backbone interact. energy: -0.447 local terms energy: -675.195860 where: bonds (distance) C4'-P energy: -173.844 bonds (distance) P-C4' energy: -168.921 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -110.429 tors. eta vs tors. theta energy: -70.083 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: 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: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1253.392695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.392695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.392695 (E_RNA) where: Base-Base interactions energy: -670.337 where: short stacking energy: -368.972 Base-Backbone interact. energy: -0.771 local terms energy: -582.283915 where: bonds (distance) C4'-P energy: -145.228 bonds (distance) P-C4' energy: -159.797 flat angles C4'-P-C4' energy: -158.736 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -43.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -990.875197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.875197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.875197 (E_RNA) where: Base-Base interactions energy: -458.500 where: short stacking energy: -285.986 Base-Backbone interact. energy: 5.022 local terms energy: -537.396879 where: bonds (distance) C4'-P energy: -155.060 bonds (distance) P-C4' energy: -162.374 flat angles C4'-P-C4' energy: -139.061 flat angles P-C4'-P energy: -74.148 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -751.823074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.823074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.823074 (E_RNA) where: Base-Base interactions energy: -246.831 where: short stacking energy: -202.360 Base-Backbone interact. energy: 0.649 local terms energy: -505.641820 where: bonds (distance) C4'-P energy: -165.760 bonds (distance) P-C4' energy: -163.969 flat angles C4'-P-C4' energy: -142.469 flat angles P-C4'-P energy: -55.943 tors. eta vs tors. theta energy: 22.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -694.408158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.408158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.408158 (E_RNA) where: Base-Base interactions energy: -258.647 where: short stacking energy: -180.555 Base-Backbone interact. energy: -0.688 local terms energy: -435.072600 where: bonds (distance) C4'-P energy: -131.316 bonds (distance) P-C4' energy: -147.904 flat angles C4'-P-C4' energy: -135.921 flat angles P-C4'-P energy: -65.449 tors. eta vs tors. theta energy: 45.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2433.381315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.381315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.381315 (E_RNA) where: Base-Base interactions energy: -1549.435 where: short stacking energy: -779.622 Base-Backbone interact. energy: -2.862 local terms energy: -881.085028 where: bonds (distance) C4'-P energy: -162.937 bonds (distance) P-C4' energy: -181.429 flat angles C4'-P-C4' energy: -200.998 flat angles P-C4'-P energy: -131.345 tors. eta vs tors. theta energy: -204.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2040.672733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.672733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.672733 (E_RNA) where: Base-Base interactions energy: -1216.457 where: short stacking energy: -668.349 Base-Backbone interact. energy: 1.473 local terms energy: -825.688742 where: bonds (distance) C4'-P energy: -161.556 bonds (distance) P-C4' energy: -178.071 flat angles C4'-P-C4' energy: -205.110 flat angles P-C4'-P energy: -106.761 tors. eta vs tors. theta energy: -174.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1844.766380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.766380 (E_RNA) where: Base-Base interactions energy: -1081.700 where: short stacking energy: -582.623 Base-Backbone interact. energy: -4.807 local terms energy: -758.259171 where: bonds (distance) C4'-P energy: -161.149 bonds (distance) P-C4' energy: -180.746 flat angles C4'-P-C4' energy: -175.744 flat angles P-C4'-P energy: -105.466 tors. eta vs tors. theta energy: -135.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1696.887340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.887340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.887340 (E_RNA) where: Base-Base interactions energy: -984.262 where: short stacking energy: -534.484 Base-Backbone interact. energy: -2.165 local terms energy: -710.459623 where: bonds (distance) C4'-P energy: -156.637 bonds (distance) P-C4' energy: -170.651 flat angles C4'-P-C4' energy: -173.203 flat angles P-C4'-P energy: -98.870 tors. eta vs tors. theta energy: -111.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1554.499526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.499526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.499526 (E_RNA) where: Base-Base interactions energy: -857.403 where: short stacking energy: -471.969 Base-Backbone interact. energy: -3.938 local terms energy: -693.158306 where: bonds (distance) C4'-P energy: -172.139 bonds (distance) P-C4' energy: -178.697 flat angles C4'-P-C4' energy: -153.988 flat angles P-C4'-P energy: -91.493 tors. eta vs tors. theta energy: -96.841 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: 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: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1208.910331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.910331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.910331 (E_RNA) where: Base-Base interactions energy: -628.052 where: short stacking energy: -372.207 Base-Backbone interact. energy: 0.880 local terms energy: -581.737666 where: bonds (distance) C4'-P energy: -164.822 bonds (distance) P-C4' energy: -161.395 flat angles C4'-P-C4' energy: -151.371 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: -29.286 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: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1002.686649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.686649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.686649 (E_RNA) where: Base-Base interactions energy: -459.584 where: short stacking energy: -303.137 Base-Backbone interact. energy: -4.555 local terms energy: -538.547274 where: bonds (distance) C4'-P energy: -139.222 bonds (distance) P-C4' energy: -163.485 flat angles C4'-P-C4' energy: -149.945 flat angles P-C4'-P energy: -75.209 tors. eta vs tors. theta energy: -10.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -839.928209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.928209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.928209 (E_RNA) where: Base-Base interactions energy: -381.405 where: short stacking energy: -249.833 Base-Backbone interact. energy: -2.303 local terms energy: -456.220332 where: bonds (distance) C4'-P energy: -120.994 bonds (distance) P-C4' energy: -144.129 flat angles C4'-P-C4' energy: -122.064 flat angles P-C4'-P energy: -67.683 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -706.397949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.397949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.397949 (E_RNA) where: Base-Base interactions energy: -261.297 where: short stacking energy: -209.709 Base-Backbone interact. energy: 15.721 local terms energy: -460.821250 where: bonds (distance) C4'-P energy: -149.039 bonds (distance) P-C4' energy: -162.075 flat angles C4'-P-C4' energy: -109.433 flat angles P-C4'-P energy: -61.443 tors. eta vs tors. theta energy: 21.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2527.877671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.877671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.877671 (E_RNA) where: Base-Base interactions energy: -1636.887 where: short stacking energy: -758.600 Base-Backbone interact. energy: -3.160 local terms energy: -887.830207 where: bonds (distance) C4'-P energy: -191.815 bonds (distance) P-C4' energy: -185.797 flat angles C4'-P-C4' energy: -203.573 flat angles P-C4'-P energy: -117.181 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: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2039.838429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.838429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.838429 (E_RNA) where: Base-Base interactions energy: -1188.468 where: short stacking energy: -673.687 Base-Backbone interact. energy: -1.924 local terms energy: -849.446822 where: bonds (distance) C4'-P energy: -173.284 bonds (distance) P-C4' energy: -193.386 flat angles C4'-P-C4' energy: -192.504 flat angles P-C4'-P energy: -112.860 tors. eta vs tors. theta energy: -177.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1876.710228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.710228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.710228 (E_RNA) where: Base-Base interactions energy: -1104.362 where: short stacking energy: -534.696 Base-Backbone interact. energy: -3.036 local terms energy: -769.312026 where: bonds (distance) C4'-P energy: -183.974 bonds (distance) P-C4' energy: -198.294 flat angles C4'-P-C4' energy: -168.179 flat angles P-C4'-P energy: -105.968 tors. eta vs tors. theta energy: -112.897 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: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1802.990709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.990709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.990709 (E_RNA) where: Base-Base interactions energy: -1039.433 where: short stacking energy: -561.851 Base-Backbone interact. energy: -4.908 local terms energy: -758.650240 where: bonds (distance) C4'-P energy: -169.204 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -179.826 flat angles P-C4'-P energy: -113.159 tors. eta vs tors. theta energy: -139.748 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: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1480.470506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.470506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.470506 (E_RNA) where: Base-Base interactions energy: -794.014 where: short stacking energy: -431.722 Base-Backbone interact. energy: 0.633 local terms energy: -687.089494 where: bonds (distance) C4'-P energy: -171.475 bonds (distance) P-C4' energy: -169.004 flat angles C4'-P-C4' energy: -169.128 flat angles P-C4'-P energy: -93.671 tors. eta vs tors. theta energy: -83.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1444.721286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.721286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.721286 (E_RNA) where: Base-Base interactions energy: -773.736 where: short stacking energy: -435.160 Base-Backbone interact. energy: -3.089 local terms energy: -667.896703 where: bonds (distance) C4'-P energy: -156.960 bonds (distance) P-C4' energy: -161.558 flat angles C4'-P-C4' energy: -151.877 flat angles P-C4'-P energy: -104.175 tors. eta vs tors. theta energy: -93.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1223.387947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.387947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.387947 (E_RNA) where: Base-Base interactions energy: -614.457 where: short stacking energy: -367.783 Base-Backbone interact. energy: 3.374 local terms energy: -612.305285 where: bonds (distance) C4'-P energy: -167.478 bonds (distance) P-C4' energy: -148.924 flat angles C4'-P-C4' energy: -147.565 flat angles P-C4'-P energy: -99.652 tors. eta vs tors. theta energy: -48.686 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: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1041.130248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.130248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.130248 (E_RNA) where: Base-Base interactions energy: -528.111 where: short stacking energy: -291.336 Base-Backbone interact. energy: -2.205 local terms energy: -510.814306 where: bonds (distance) C4'-P energy: -162.735 bonds (distance) P-C4' energy: -152.977 flat angles C4'-P-C4' energy: -146.989 flat angles P-C4'-P energy: -59.700 tors. eta vs tors. theta energy: 11.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -770.797930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.797930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.797930 (E_RNA) where: Base-Base interactions energy: -301.975 where: short stacking energy: -201.701 Base-Backbone interact. energy: 6.168 local terms energy: -474.991122 where: bonds (distance) C4'-P energy: -152.897 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -134.271 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: 35.447 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: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -807.347847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.347847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.347847 (E_RNA) where: Base-Base interactions energy: -341.719 where: short stacking energy: -227.605 Base-Backbone interact. energy: 2.713 local terms energy: -468.342649 where: bonds (distance) C4'-P energy: -134.238 bonds (distance) P-C4' energy: -137.615 flat angles C4'-P-C4' energy: -143.871 flat angles P-C4'-P energy: -69.523 tors. eta vs tors. theta energy: 16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2500.964658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.964658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.964658 (E_RNA) where: Base-Base interactions energy: -1637.741 where: short stacking energy: -733.454 Base-Backbone interact. energy: -4.860 local terms energy: -858.363728 where: bonds (distance) C4'-P energy: -179.779 bonds (distance) P-C4' energy: -175.383 flat angles C4'-P-C4' energy: -202.141 flat angles P-C4'-P energy: -111.264 tors. eta vs tors. theta energy: -189.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2036.415524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.415524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.415524 (E_RNA) where: Base-Base interactions energy: -1192.935 where: short stacking energy: -642.471 Base-Backbone interact. energy: -0.198 local terms energy: -843.281844 where: bonds (distance) C4'-P energy: -184.715 bonds (distance) P-C4' energy: -181.889 flat angles C4'-P-C4' energy: -192.636 flat angles P-C4'-P energy: -131.203 tors. eta vs tors. theta energy: -152.839 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: 8 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1901.919060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.919060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.919060 (E_RNA) where: Base-Base interactions energy: -1132.148 where: short stacking energy: -564.880 Base-Backbone interact. energy: 0.257 local terms energy: -770.027640 where: bonds (distance) C4'-P energy: -177.508 bonds (distance) P-C4' energy: -182.216 flat angles C4'-P-C4' energy: -171.821 flat angles P-C4'-P energy: -114.391 tors. eta vs tors. theta energy: -124.091 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: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1878.392586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.392586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.392586 (E_RNA) where: Base-Base interactions energy: -1133.776 where: short stacking energy: -629.377 Base-Backbone interact. energy: -3.086 local terms energy: -741.530538 where: bonds (distance) C4'-P energy: -161.824 bonds (distance) P-C4' energy: -174.276 flat angles C4'-P-C4' energy: -174.580 flat angles P-C4'-P energy: -92.692 tors. eta vs tors. theta energy: -138.159 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: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1528.966911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.966911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.966911 (E_RNA) where: Base-Base interactions energy: -844.279 where: short stacking energy: -445.414 Base-Backbone interact. energy: -3.972 local terms energy: -680.715785 where: bonds (distance) C4'-P energy: -162.110 bonds (distance) P-C4' energy: -168.658 flat angles C4'-P-C4' energy: -172.140 flat angles P-C4'-P energy: -92.933 tors. eta vs tors. theta energy: -84.875 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: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1445.851400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.851400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.851400 (E_RNA) where: Base-Base interactions energy: -765.497 where: short stacking energy: -436.744 Base-Backbone interact. energy: -1.867 local terms energy: -678.487028 where: bonds (distance) C4'-P energy: -167.147 bonds (distance) P-C4' energy: -172.169 flat angles C4'-P-C4' energy: -145.898 flat angles P-C4'-P energy: -100.006 tors. eta vs tors. theta energy: -93.268 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: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1270.790602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.790602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.790602 (E_RNA) where: Base-Base interactions energy: -646.740 where: short stacking energy: -399.540 Base-Backbone interact. energy: 7.440 local terms energy: -631.491166 where: bonds (distance) C4'-P energy: -153.108 bonds (distance) P-C4' energy: -155.468 flat angles C4'-P-C4' energy: -160.666 flat angles P-C4'-P energy: -98.740 tors. eta vs tors. theta energy: -63.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1128.679025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.679025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.679025 (E_RNA) where: Base-Base interactions energy: -593.272 where: short stacking energy: -346.542 Base-Backbone interact. energy: 5.296 local terms energy: -540.702872 where: bonds (distance) C4'-P energy: -144.504 bonds (distance) P-C4' energy: -153.552 flat angles C4'-P-C4' energy: -115.573 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -29.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -820.058410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.058410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.058410 (E_RNA) where: Base-Base interactions energy: -321.086 where: short stacking energy: -245.212 Base-Backbone interact. energy: 3.181 local terms energy: -502.153648 where: bonds (distance) C4'-P energy: -139.649 bonds (distance) P-C4' energy: -163.873 flat angles C4'-P-C4' energy: -125.433 flat angles P-C4'-P energy: -93.680 tors. eta vs tors. theta energy: 20.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -786.719011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.719011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.719011 (E_RNA) where: Base-Base interactions energy: -338.025 where: short stacking energy: -219.145 Base-Backbone interact. energy: -1.118 local terms energy: -447.576203 where: bonds (distance) C4'-P energy: -133.178 bonds (distance) P-C4' energy: -162.305 flat angles C4'-P-C4' energy: -101.419 flat angles P-C4'-P energy: -74.398 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: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2562.417289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.417289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.417289 (E_RNA) where: Base-Base interactions energy: -1613.656 where: short stacking energy: -776.364 Base-Backbone interact. energy: -3.755 local terms energy: -945.006620 where: bonds (distance) C4'-P energy: -190.520 bonds (distance) P-C4' energy: -194.025 flat angles C4'-P-C4' energy: -211.418 flat angles P-C4'-P energy: -127.875 tors. eta vs tors. theta energy: -221.169 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2045.630128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.630128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.630128 (E_RNA) where: Base-Base interactions energy: -1202.934 where: short stacking energy: -652.361 Base-Backbone interact. energy: -2.144 local terms energy: -840.552827 where: bonds (distance) C4'-P energy: -190.470 bonds (distance) P-C4' energy: -166.016 flat angles C4'-P-C4' energy: -197.281 flat angles P-C4'-P energy: -116.720 tors. eta vs tors. theta energy: -170.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1928.008501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.008501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.008501 (E_RNA) where: Base-Base interactions energy: -1134.313 where: short stacking energy: -606.173 Base-Backbone interact. energy: -0.687 local terms energy: -793.007930 where: bonds (distance) C4'-P energy: -171.157 bonds (distance) P-C4' energy: -171.343 flat angles C4'-P-C4' energy: -182.065 flat angles P-C4'-P energy: -95.991 tors. eta vs tors. theta energy: -172.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1809.779580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.779580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.779580 (E_RNA) where: Base-Base interactions energy: -1056.773 where: short stacking energy: -564.515 Base-Backbone interact. energy: -3.399 local terms energy: -749.607748 where: bonds (distance) C4'-P energy: -171.237 bonds (distance) P-C4' energy: -158.245 flat angles C4'-P-C4' energy: -180.286 flat angles P-C4'-P energy: -116.280 tors. eta vs tors. theta energy: -123.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1553.172214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.172214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.172214 (E_RNA) where: Base-Base interactions energy: -886.283 where: short stacking energy: -473.787 Base-Backbone interact. energy: -4.011 local terms energy: -662.877916 where: bonds (distance) C4'-P energy: -148.883 bonds (distance) P-C4' energy: -157.654 flat angles C4'-P-C4' energy: -168.326 flat angles P-C4'-P energy: -95.333 tors. eta vs tors. theta energy: -92.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1444.383156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.383156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.383156 (E_RNA) where: Base-Base interactions energy: -787.321 where: short stacking energy: -416.415 Base-Backbone interact. energy: 0.569 local terms energy: -657.630511 where: bonds (distance) C4'-P energy: -164.968 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -176.589 flat angles P-C4'-P energy: -84.553 tors. eta vs tors. theta energy: -66.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1323.548256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.548256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.548256 (E_RNA) where: Base-Base interactions energy: -737.273 where: short stacking energy: -376.681 Base-Backbone interact. energy: -2.159 local terms energy: -584.116209 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -136.838 flat angles C4'-P-C4' energy: -151.719 flat angles P-C4'-P energy: -99.194 tors. eta vs tors. theta energy: -40.950 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: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1125.128971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.128971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.128971 (E_RNA) where: Base-Base interactions energy: -566.328 where: short stacking energy: -305.615 Base-Backbone interact. energy: -0.471 local terms energy: -558.329348 where: bonds (distance) C4'-P energy: -154.937 bonds (distance) P-C4' energy: -147.334 flat angles C4'-P-C4' energy: -147.058 flat angles P-C4'-P energy: -92.983 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -835.166029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.166029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.166029 (E_RNA) where: Base-Base interactions energy: -375.714 where: short stacking energy: -239.473 Base-Backbone interact. energy: -1.454 local terms energy: -457.998018 where: bonds (distance) C4'-P energy: -137.785 bonds (distance) P-C4' energy: -136.974 flat angles C4'-P-C4' energy: -126.213 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: 17.010 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: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -723.332805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.332805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.332805 (E_RNA) where: Base-Base interactions energy: -275.348 where: short stacking energy: -200.544 Base-Backbone interact. energy: 1.616 local terms energy: -449.600605 where: bonds (distance) C4'-P energy: -142.929 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -130.137 flat angles P-C4'-P energy: -74.357 tors. eta vs tors. theta energy: 43.646 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: 25 Temperature: 0.900000 Total energy: -2586.273578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.273578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.273578 (E_RNA) where: Base-Base interactions energy: -1645.137 where: short stacking energy: -760.183 Base-Backbone interact. energy: -1.738 local terms energy: -939.398895 where: bonds (distance) C4'-P energy: -192.379 bonds (distance) P-C4' energy: -199.431 flat angles C4'-P-C4' energy: -209.851 flat angles P-C4'-P energy: -132.917 tors. eta vs tors. theta energy: -204.821 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: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2071.427249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.427249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.427249 (E_RNA) where: Base-Base interactions energy: -1243.633 where: short stacking energy: -690.832 Base-Backbone interact. energy: 3.112 local terms energy: -830.906169 where: bonds (distance) C4'-P energy: -163.673 bonds (distance) P-C4' energy: -165.002 flat angles C4'-P-C4' energy: -187.175 flat angles P-C4'-P energy: -132.117 tors. eta vs tors. theta energy: -182.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1903.174909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.174909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.174909 (E_RNA) where: Base-Base interactions energy: -1107.344 where: short stacking energy: -544.215 Base-Backbone interact. energy: -3.656 local terms energy: -792.175677 where: bonds (distance) C4'-P energy: -182.373 bonds (distance) P-C4' energy: -183.092 flat angles C4'-P-C4' energy: -177.444 flat angles P-C4'-P energy: -108.774 tors. eta vs tors. theta energy: -140.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1837.317889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.317889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.317889 (E_RNA) where: Base-Base interactions energy: -1105.923 where: short stacking energy: -547.955 Base-Backbone interact. energy: -0.271 local terms energy: -731.124243 where: bonds (distance) C4'-P energy: -175.858 bonds (distance) P-C4' energy: -185.715 flat angles C4'-P-C4' energy: -156.313 flat angles P-C4'-P energy: -102.372 tors. eta vs tors. theta energy: -110.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1648.798394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.798394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.798394 (E_RNA) where: Base-Base interactions energy: -924.033 where: short stacking energy: -503.080 Base-Backbone interact. energy: 2.266 local terms energy: -727.031600 where: bonds (distance) C4'-P energy: -167.973 bonds (distance) P-C4' energy: -183.296 flat angles C4'-P-C4' energy: -165.987 flat angles P-C4'-P energy: -103.076 tors. eta vs tors. theta energy: -106.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1455.444150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.444150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.444150 (E_RNA) where: Base-Base interactions energy: -773.147 where: short stacking energy: -442.674 Base-Backbone interact. energy: 2.610 local terms energy: -684.906536 where: bonds (distance) C4'-P energy: -154.842 bonds (distance) P-C4' energy: -178.100 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -122.107 tors. eta vs tors. theta energy: -66.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1352.462648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.462648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.462648 (E_RNA) where: Base-Base interactions energy: -735.461 where: short stacking energy: -356.436 Base-Backbone interact. energy: -0.909 local terms energy: -616.092716 where: bonds (distance) C4'-P energy: -161.753 bonds (distance) P-C4' energy: -173.664 flat angles C4'-P-C4' energy: -142.193 flat angles P-C4'-P energy: -83.745 tors. eta vs tors. theta energy: -54.737 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: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1077.745926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.745926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.745926 (E_RNA) where: Base-Base interactions energy: -506.028 where: short stacking energy: -320.953 Base-Backbone interact. energy: 1.831 local terms energy: -573.548736 where: bonds (distance) C4'-P energy: -164.124 bonds (distance) P-C4' energy: -167.135 flat angles C4'-P-C4' energy: -130.238 flat angles P-C4'-P energy: -71.080 tors. eta vs tors. theta energy: -40.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -955.413232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.413232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.413232 (E_RNA) where: Base-Base interactions energy: -447.971 where: short stacking energy: -247.451 Base-Backbone interact. energy: 6.465 local terms energy: -513.906938 where: bonds (distance) C4'-P energy: -148.064 bonds (distance) P-C4' energy: -154.919 flat angles C4'-P-C4' energy: -131.238 flat angles P-C4'-P energy: -77.257 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: 25 Temperature: 1.350000 Total energy: -707.529476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.529476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.529476 (E_RNA) where: Base-Base interactions energy: -225.642 where: short stacking energy: -196.855 Base-Backbone interact. energy: 2.275 local terms energy: -484.163239 where: bonds (distance) C4'-P energy: -163.104 bonds (distance) P-C4' energy: -146.084 flat angles C4'-P-C4' energy: -126.855 flat angles P-C4'-P energy: -62.276 tors. eta vs tors. theta energy: 14.156 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: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2547.958086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.958086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.958086 (E_RNA) where: Base-Base interactions energy: -1633.131 where: short stacking energy: -772.910 Base-Backbone interact. energy: -2.635 local terms energy: -912.191421 where: bonds (distance) C4'-P energy: -182.698 bonds (distance) P-C4' energy: -185.291 flat angles C4'-P-C4' energy: -208.046 flat angles P-C4'-P energy: -130.830 tors. eta vs tors. theta energy: -205.326 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: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2109.545766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.545766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.545766 (E_RNA) where: Base-Base interactions energy: -1238.377 where: short stacking energy: -657.971 Base-Backbone interact. energy: 0.413 local terms energy: -871.582196 where: bonds (distance) C4'-P energy: -170.899 bonds (distance) P-C4' energy: -200.343 flat angles C4'-P-C4' energy: -200.734 flat angles P-C4'-P energy: -119.965 tors. eta vs tors. theta energy: -179.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1972.543441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.543441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.543441 (E_RNA) where: Base-Base interactions energy: -1184.328 where: short stacking energy: -590.031 Base-Backbone interact. energy: -4.520 local terms energy: -783.695151 where: bonds (distance) C4'-P energy: -178.338 bonds (distance) P-C4' energy: -171.814 flat angles C4'-P-C4' energy: -173.273 flat angles P-C4'-P energy: -119.822 tors. eta vs tors. theta energy: -140.448 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: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1799.442693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.442693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.442693 (E_RNA) where: Base-Base interactions energy: -1045.102 where: short stacking energy: -570.134 Base-Backbone interact. energy: 0.093 local terms energy: -754.433229 where: bonds (distance) C4'-P energy: -155.098 bonds (distance) P-C4' energy: -165.263 flat angles C4'-P-C4' energy: -196.008 flat angles P-C4'-P energy: -112.237 tors. eta vs tors. theta energy: -125.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1526.403474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.403474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.403474 (E_RNA) where: Base-Base interactions energy: -837.741 where: short stacking energy: -459.271 Base-Backbone interact. energy: -3.865 local terms energy: -684.797840 where: bonds (distance) C4'-P energy: -162.751 bonds (distance) P-C4' energy: -169.825 flat angles C4'-P-C4' energy: -165.539 flat angles P-C4'-P energy: -93.745 tors. eta vs tors. theta energy: -92.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1462.331653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.331653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.331653 (E_RNA) where: Base-Base interactions energy: -827.431 where: short stacking energy: -437.956 Base-Backbone interact. energy: -4.489 local terms energy: -630.411729 where: bonds (distance) C4'-P energy: -135.583 bonds (distance) P-C4' energy: -152.233 flat angles C4'-P-C4' energy: -170.942 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -79.123 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: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1397.403913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.403913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.403913 (E_RNA) where: Base-Base interactions energy: -780.078 where: short stacking energy: -405.665 Base-Backbone interact. energy: -3.780 local terms energy: -613.546336 where: bonds (distance) C4'-P energy: -141.828 bonds (distance) P-C4' energy: -161.120 flat angles C4'-P-C4' energy: -158.763 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -63.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1029.279265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.279265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.279265 (E_RNA) where: Base-Base interactions energy: -547.840 where: short stacking energy: -302.569 Base-Backbone interact. energy: 1.595 local terms energy: -483.034220 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -164.842 flat angles C4'-P-C4' energy: -126.171 flat angles P-C4'-P energy: -69.762 tors. eta vs tors. theta energy: -0.419 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: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1009.827620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.827620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.827620 (E_RNA) where: Base-Base interactions energy: -525.195 where: short stacking energy: -304.663 Base-Backbone interact. energy: 5.782 local terms energy: -490.414473 where: bonds (distance) C4'-P energy: -128.507 bonds (distance) P-C4' energy: -154.641 flat angles C4'-P-C4' energy: -134.093 flat angles P-C4'-P energy: -68.923 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -720.964093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.964093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.964093 (E_RNA) where: Base-Base interactions energy: -253.082 where: short stacking energy: -196.510 Base-Backbone interact. energy: -2.759 local terms energy: -465.123295 where: bonds (distance) C4'-P energy: -149.979 bonds (distance) P-C4' energy: -139.786 flat angles C4'-P-C4' energy: -134.195 flat angles P-C4'-P energy: -72.298 tors. eta vs tors. theta energy: 31.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2516.387540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.387540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.387540 (E_RNA) where: Base-Base interactions energy: -1604.301 where: short stacking energy: -784.522 Base-Backbone interact. energy: 2.795 local terms energy: -914.881291 where: bonds (distance) C4'-P energy: -182.324 bonds (distance) P-C4' energy: -189.504 flat angles C4'-P-C4' energy: -202.700 flat angles P-C4'-P energy: -135.114 tors. eta vs tors. theta energy: -205.239 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: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2154.230564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.230564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.230564 (E_RNA) where: Base-Base interactions energy: -1294.439 where: short stacking energy: -672.498 Base-Backbone interact. energy: -2.892 local terms energy: -856.899508 where: bonds (distance) C4'-P energy: -176.857 bonds (distance) P-C4' energy: -190.891 flat angles C4'-P-C4' energy: -187.271 flat angles P-C4'-P energy: -131.620 tors. eta vs tors. theta energy: -170.260 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: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2023.976018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.976018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.976018 (E_RNA) where: Base-Base interactions energy: -1208.478 where: short stacking energy: -603.791 Base-Backbone interact. energy: -2.452 local terms energy: -813.046175 where: bonds (distance) C4'-P energy: -163.014 bonds (distance) P-C4' energy: -180.936 flat angles C4'-P-C4' energy: -205.106 flat angles P-C4'-P energy: -112.694 tors. eta vs tors. theta energy: -151.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1860.581473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.581473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.581473 (E_RNA) where: Base-Base interactions energy: -1133.767 where: short stacking energy: -563.518 Base-Backbone interact. energy: -1.627 local terms energy: -725.187695 where: bonds (distance) C4'-P energy: -160.880 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -170.053 flat angles P-C4'-P energy: -120.840 tors. eta vs tors. theta energy: -118.178 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: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1566.465289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.465289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.465289 (E_RNA) where: Base-Base interactions energy: -896.165 where: short stacking energy: -441.565 Base-Backbone interact. energy: -5.660 local terms energy: -664.640336 where: bonds (distance) C4'-P energy: -166.454 bonds (distance) P-C4' energy: -170.788 flat angles C4'-P-C4' energy: -175.350 flat angles P-C4'-P energy: -74.966 tors. eta vs tors. theta energy: -77.083 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: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1455.744670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.744670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.744670 (E_RNA) where: Base-Base interactions energy: -797.760 where: short stacking energy: -411.511 Base-Backbone interact. energy: 2.924 local terms energy: -660.909247 where: bonds (distance) C4'-P energy: -170.175 bonds (distance) P-C4' energy: -181.798 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -85.052 tors. eta vs tors. theta energy: -80.615 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: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1294.226797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.226797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.226797 (E_RNA) where: Base-Base interactions energy: -663.578 where: short stacking energy: -336.468 Base-Backbone interact. energy: -1.672 local terms energy: -628.976366 where: bonds (distance) C4'-P energy: -167.470 bonds (distance) P-C4' energy: -160.660 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -85.836 tors. eta vs tors. theta energy: -47.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1078.929008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.929008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.929008 (E_RNA) where: Base-Base interactions energy: -523.085 where: short stacking energy: -295.401 Base-Backbone interact. energy: 6.101 local terms energy: -561.944356 where: bonds (distance) C4'-P energy: -163.285 bonds (distance) P-C4' energy: -169.711 flat angles C4'-P-C4' energy: -133.068 flat angles P-C4'-P energy: -81.971 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -975.127704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.127704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.127704 (E_RNA) where: Base-Base interactions energy: -482.295 where: short stacking energy: -269.341 Base-Backbone interact. energy: 0.272 local terms energy: -493.105001 where: bonds (distance) C4'-P energy: -155.662 bonds (distance) P-C4' energy: -165.539 flat angles C4'-P-C4' energy: -116.320 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -0.845 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -660.207922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.207922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.207922 (E_RNA) where: Base-Base interactions energy: -228.639 where: short stacking energy: -167.224 Base-Backbone interact. energy: 3.065 local terms energy: -434.633715 where: bonds (distance) C4'-P energy: -136.508 bonds (distance) P-C4' energy: -153.283 flat angles C4'-P-C4' energy: -102.003 flat angles P-C4'-P energy: -82.879 tors. eta vs tors. theta energy: 40.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2583.937683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.937683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.937683 (E_RNA) where: Base-Base interactions energy: -1671.503 where: short stacking energy: -806.377 Base-Backbone interact. energy: 0.061 local terms energy: -912.495499 where: bonds (distance) C4'-P energy: -192.126 bonds (distance) P-C4' energy: -186.342 flat angles C4'-P-C4' energy: -191.903 flat angles P-C4'-P energy: -132.122 tors. eta vs tors. theta energy: -210.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2128.813690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.813690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.813690 (E_RNA) where: Base-Base interactions energy: -1307.363 where: short stacking energy: -677.213 Base-Backbone interact. energy: 1.880 local terms energy: -823.330177 where: bonds (distance) C4'-P energy: -168.241 bonds (distance) P-C4' energy: -179.316 flat angles C4'-P-C4' energy: -200.437 flat angles P-C4'-P energy: -117.984 tors. eta vs tors. theta energy: -157.352 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: 28 Temperature: 1.000000 Total energy: -2009.249948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.249948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.249948 (E_RNA) where: Base-Base interactions energy: -1172.096 where: short stacking energy: -630.531 Base-Backbone interact. energy: -1.855 local terms energy: -835.298499 where: bonds (distance) C4'-P energy: -189.523 bonds (distance) P-C4' energy: -167.699 flat angles C4'-P-C4' energy: -177.365 flat angles P-C4'-P energy: -127.232 tors. eta vs tors. theta energy: -173.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1904.732763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.732763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.732763 (E_RNA) where: Base-Base interactions energy: -1145.889 where: short stacking energy: -574.845 Base-Backbone interact. energy: -1.402 local terms energy: -757.441802 where: bonds (distance) C4'-P energy: -159.575 bonds (distance) P-C4' energy: -167.356 flat angles C4'-P-C4' energy: -180.258 flat angles P-C4'-P energy: -102.856 tors. eta vs tors. theta energy: -147.398 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: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1640.582534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.582534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.582534 (E_RNA) where: Base-Base interactions energy: -957.866 where: short stacking energy: -479.829 Base-Backbone interact. energy: 3.821 local terms energy: -686.537271 where: bonds (distance) C4'-P energy: -147.265 bonds (distance) P-C4' energy: -178.746 flat angles C4'-P-C4' energy: -180.246 flat angles P-C4'-P energy: -98.816 tors. eta vs tors. theta energy: -81.465 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: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1450.527802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.527802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.527802 (E_RNA) where: Base-Base interactions energy: -811.211 where: short stacking energy: -421.852 Base-Backbone interact. energy: 3.175 local terms energy: -642.492294 where: bonds (distance) C4'-P energy: -167.743 bonds (distance) P-C4' energy: -168.177 flat angles C4'-P-C4' energy: -146.950 flat angles P-C4'-P energy: -100.491 tors. eta vs tors. theta energy: -59.131 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: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1266.691869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.691869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.691869 (E_RNA) where: Base-Base interactions energy: -678.516 where: short stacking energy: -340.445 Base-Backbone interact. energy: 0.376 local terms energy: -588.552279 where: bonds (distance) C4'-P energy: -157.261 bonds (distance) P-C4' energy: -172.670 flat angles C4'-P-C4' energy: -154.103 flat angles P-C4'-P energy: -70.682 tors. eta vs tors. theta energy: -33.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1079.285657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.285657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.285657 (E_RNA) where: Base-Base interactions energy: -550.446 where: short stacking energy: -302.375 Base-Backbone interact. energy: 10.237 local terms energy: -539.076687 where: bonds (distance) C4'-P energy: -163.482 bonds (distance) P-C4' energy: -158.134 flat angles C4'-P-C4' energy: -125.105 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -941.341943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.341943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.341943 (E_RNA) where: Base-Base interactions energy: -461.444 where: short stacking energy: -290.771 Base-Backbone interact. energy: 6.478 local terms energy: -486.375976 where: bonds (distance) C4'-P energy: -122.512 bonds (distance) P-C4' energy: -153.913 flat angles C4'-P-C4' energy: -127.410 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -10.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -663.908469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.908469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.908469 (E_RNA) where: Base-Base interactions energy: -201.054 where: short stacking energy: -162.825 Base-Backbone interact. energy: 0.919 local terms energy: -463.773488 where: bonds (distance) C4'-P energy: -140.380 bonds (distance) P-C4' energy: -143.744 flat angles C4'-P-C4' energy: -138.315 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: 27.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2540.510372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.510372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.510372 (E_RNA) where: Base-Base interactions energy: -1627.626 where: short stacking energy: -806.369 Base-Backbone interact. energy: 3.559 local terms energy: -916.443863 where: bonds (distance) C4'-P energy: -182.194 bonds (distance) P-C4' energy: -185.326 flat angles C4'-P-C4' energy: -204.252 flat angles P-C4'-P energy: -125.108 tors. eta vs tors. theta energy: -219.564 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: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2192.177709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.177709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.177709 (E_RNA) where: Base-Base interactions energy: -1338.876 where: short stacking energy: -700.211 Base-Backbone interact. energy: -0.292 local terms energy: -853.009687 where: bonds (distance) C4'-P energy: -182.638 bonds (distance) P-C4' energy: -189.933 flat angles C4'-P-C4' energy: -185.774 flat angles P-C4'-P energy: -107.168 tors. eta vs tors. theta energy: -187.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2074.515666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.515666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.515666 (E_RNA) where: Base-Base interactions energy: -1296.519 where: short stacking energy: -613.233 Base-Backbone interact. energy: -2.212 local terms energy: -775.784876 where: bonds (distance) C4'-P energy: -146.781 bonds (distance) P-C4' energy: -177.500 flat angles C4'-P-C4' energy: -176.629 flat angles P-C4'-P energy: -108.839 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: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1850.256924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.256924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.256924 (E_RNA) where: Base-Base interactions energy: -1091.346 where: short stacking energy: -577.724 Base-Backbone interact. energy: -2.372 local terms energy: -756.538323 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -183.988 flat angles C4'-P-C4' energy: -170.630 flat angles P-C4'-P energy: -104.665 tors. eta vs tors. theta energy: -146.672 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: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1709.079208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.079208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.079208 (E_RNA) where: Base-Base interactions energy: -1024.368 where: short stacking energy: -500.119 Base-Backbone interact. energy: 9.139 local terms energy: -693.849928 where: bonds (distance) C4'-P energy: -143.256 bonds (distance) P-C4' energy: -169.571 flat angles C4'-P-C4' energy: -163.906 flat angles P-C4'-P energy: -114.195 tors. eta vs tors. theta energy: -102.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1427.024972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.024972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.024972 (E_RNA) where: Base-Base interactions energy: -770.068 where: short stacking energy: -439.122 Base-Backbone interact. energy: 3.691 local terms energy: -660.647646 where: bonds (distance) C4'-P energy: -172.399 bonds (distance) P-C4' energy: -173.413 flat angles C4'-P-C4' energy: -147.772 flat angles P-C4'-P energy: -93.870 tors. eta vs tors. theta energy: -73.193 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: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1359.422789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.422789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.422789 (E_RNA) where: Base-Base interactions energy: -735.369 where: short stacking energy: -381.682 Base-Backbone interact. energy: -3.610 local terms energy: -620.443437 where: bonds (distance) C4'-P energy: -148.714 bonds (distance) P-C4' energy: -173.701 flat angles C4'-P-C4' energy: -161.306 flat angles P-C4'-P energy: -79.638 tors. eta vs tors. theta energy: -57.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1111.084111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.084111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.084111 (E_RNA) where: Base-Base interactions energy: -541.186 where: short stacking energy: -286.808 Base-Backbone interact. energy: -1.511 local terms energy: -568.387099 where: bonds (distance) C4'-P energy: -164.834 bonds (distance) P-C4' energy: -161.378 flat angles C4'-P-C4' energy: -144.891 flat angles P-C4'-P energy: -80.577 tors. eta vs tors. theta energy: -16.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1052.303928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.303928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.303928 (E_RNA) where: Base-Base interactions energy: -537.878 where: short stacking energy: -279.273 Base-Backbone interact. energy: 2.728 local terms energy: -517.153643 where: bonds (distance) C4'-P energy: -163.295 bonds (distance) P-C4' energy: -146.819 flat angles C4'-P-C4' energy: -142.972 flat angles P-C4'-P energy: -64.952 tors. eta vs tors. theta energy: 0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -663.198465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.198465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.198465 (E_RNA) where: Base-Base interactions energy: -219.914 where: short stacking energy: -172.551 Base-Backbone interact. energy: -2.127 local terms energy: -441.157050 where: bonds (distance) C4'-P energy: -119.733 bonds (distance) P-C4' energy: -152.951 flat angles C4'-P-C4' energy: -139.972 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: 41.502 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: 6 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2504.893768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.893768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.893768 (E_RNA) where: Base-Base interactions energy: -1597.421 where: short stacking energy: -807.690 Base-Backbone interact. energy: -1.722 local terms energy: -905.750610 where: bonds (distance) C4'-P energy: -169.352 bonds (distance) P-C4' energy: -185.983 flat angles C4'-P-C4' energy: -199.620 flat angles P-C4'-P energy: -129.549 tors. eta vs tors. theta energy: -221.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2167.308257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.308257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.308257 (E_RNA) where: Base-Base interactions energy: -1320.385 where: short stacking energy: -686.938 Base-Backbone interact. energy: 0.662 local terms energy: -847.585398 where: bonds (distance) C4'-P energy: -186.049 bonds (distance) P-C4' energy: -183.794 flat angles C4'-P-C4' energy: -187.338 flat angles P-C4'-P energy: -119.376 tors. eta vs tors. theta energy: -171.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2145.159966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.159966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.159966 (E_RNA) where: Base-Base interactions energy: -1314.094 where: short stacking energy: -644.792 Base-Backbone interact. energy: -4.761 local terms energy: -826.304833 where: bonds (distance) C4'-P energy: -189.056 bonds (distance) P-C4' energy: -189.273 flat angles C4'-P-C4' energy: -190.911 flat angles P-C4'-P energy: -90.689 tors. eta vs tors. theta energy: -166.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1871.239920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.239920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.239920 (E_RNA) where: Base-Base interactions energy: -1114.669 where: short stacking energy: -592.386 Base-Backbone interact. energy: -3.687 local terms energy: -752.883375 where: bonds (distance) C4'-P energy: -173.521 bonds (distance) P-C4' energy: -160.674 flat angles C4'-P-C4' energy: -175.957 flat angles P-C4'-P energy: -104.932 tors. eta vs tors. theta energy: -137.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1720.296713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.296713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.296713 (E_RNA) where: Base-Base interactions energy: -1012.735 where: short stacking energy: -524.812 Base-Backbone interact. energy: -4.186 local terms energy: -703.375398 where: bonds (distance) C4'-P energy: -151.610 bonds (distance) P-C4' energy: -182.031 flat angles C4'-P-C4' energy: -151.784 flat angles P-C4'-P energy: -111.738 tors. eta vs tors. theta energy: -106.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1479.111358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.111358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.111358 (E_RNA) where: Base-Base interactions energy: -815.657 where: short stacking energy: -457.698 Base-Backbone interact. energy: 0.328 local terms energy: -663.782195 where: bonds (distance) C4'-P energy: -143.959 bonds (distance) P-C4' energy: -164.285 flat angles C4'-P-C4' energy: -172.803 flat angles P-C4'-P energy: -106.345 tors. eta vs tors. theta energy: -76.390 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: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1382.049683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.049683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.049683 (E_RNA) where: Base-Base interactions energy: -751.503 where: short stacking energy: -427.962 Base-Backbone interact. energy: -2.836 local terms energy: -627.710108 where: bonds (distance) C4'-P energy: -140.601 bonds (distance) P-C4' energy: -161.119 flat angles C4'-P-C4' energy: -157.427 flat angles P-C4'-P energy: -99.986 tors. eta vs tors. theta energy: -68.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1121.730256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.730256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.730256 (E_RNA) where: Base-Base interactions energy: -569.679 where: short stacking energy: -332.666 Base-Backbone interact. energy: -5.451 local terms energy: -546.600160 where: bonds (distance) C4'-P energy: -146.402 bonds (distance) P-C4' energy: -172.934 flat angles C4'-P-C4' energy: -119.350 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -25.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1055.933446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.933446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.933446 (E_RNA) where: Base-Base interactions energy: -502.153 where: short stacking energy: -280.657 Base-Backbone interact. energy: -0.374 local terms energy: -553.406632 where: bonds (distance) C4'-P energy: -168.858 bonds (distance) P-C4' energy: -126.655 flat angles C4'-P-C4' energy: -141.933 flat angles P-C4'-P energy: -89.714 tors. eta vs tors. theta energy: -26.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -712.940762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.940762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.940762 (E_RNA) where: Base-Base interactions energy: -248.927 where: short stacking energy: -229.609 Base-Backbone interact. energy: 1.513 local terms energy: -465.526427 where: bonds (distance) C4'-P energy: -147.655 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -123.304 flat angles P-C4'-P energy: -49.295 tors. eta vs tors. theta energy: 20.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2559.638582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.638582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.638582 (E_RNA) where: Base-Base interactions energy: -1634.499 where: short stacking energy: -784.192 Base-Backbone interact. energy: -2.980 local terms energy: -922.159676 where: bonds (distance) C4'-P energy: -190.614 bonds (distance) P-C4' energy: -184.365 flat angles C4'-P-C4' energy: -198.806 flat angles P-C4'-P energy: -122.593 tors. eta vs tors. theta energy: -225.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2309.453768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.453768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.453768 (E_RNA) where: Base-Base interactions energy: -1476.695 where: short stacking energy: -692.974 Base-Backbone interact. energy: -0.047 local terms energy: -832.711254 where: bonds (distance) C4'-P energy: -166.419 bonds (distance) P-C4' energy: -190.392 flat angles C4'-P-C4' energy: -194.143 flat angles P-C4'-P energy: -106.314 tors. eta vs tors. theta energy: -175.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2072.619773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.619773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.619773 (E_RNA) where: Base-Base interactions energy: -1291.321 where: short stacking energy: -663.186 Base-Backbone interact. energy: -3.081 local terms energy: -778.218171 where: bonds (distance) C4'-P energy: -173.390 bonds (distance) P-C4' energy: -165.133 flat angles C4'-P-C4' energy: -187.285 flat angles P-C4'-P energy: -87.571 tors. eta vs tors. theta energy: -164.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1810.078960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.078960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.078960 (E_RNA) where: Base-Base interactions energy: -1055.400 where: short stacking energy: -561.226 Base-Backbone interact. energy: 2.145 local terms energy: -756.824671 where: bonds (distance) C4'-P energy: -179.098 bonds (distance) P-C4' energy: -157.023 flat angles C4'-P-C4' energy: -182.490 flat angles P-C4'-P energy: -113.124 tors. eta vs tors. theta energy: -125.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1732.470937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.470937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.470937 (E_RNA) where: Base-Base interactions energy: -1020.510 where: short stacking energy: -509.241 Base-Backbone interact. energy: -3.080 local terms energy: -708.880533 where: bonds (distance) C4'-P energy: -153.891 bonds (distance) P-C4' energy: -155.945 flat angles C4'-P-C4' energy: -186.057 flat angles P-C4'-P energy: -104.070 tors. eta vs tors. theta energy: -108.918 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: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1488.088670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.088670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.088670 (E_RNA) where: Base-Base interactions energy: -842.689 where: short stacking energy: -458.121 Base-Backbone interact. energy: 4.904 local terms energy: -650.303762 where: bonds (distance) C4'-P energy: -157.960 bonds (distance) P-C4' energy: -168.704 flat angles C4'-P-C4' energy: -140.854 flat angles P-C4'-P energy: -78.484 tors. eta vs tors. theta energy: -104.302 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: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1345.765120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.765120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.765120 (E_RNA) where: Base-Base interactions energy: -741.141 where: short stacking energy: -382.309 Base-Backbone interact. energy: -1.366 local terms energy: -603.258314 where: bonds (distance) C4'-P energy: -155.507 bonds (distance) P-C4' energy: -163.456 flat angles C4'-P-C4' energy: -161.753 flat angles P-C4'-P energy: -74.620 tors. eta vs tors. theta energy: -47.922 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: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1034.071837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.071837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.071837 (E_RNA) where: Base-Base interactions energy: -490.780 where: short stacking energy: -306.444 Base-Backbone interact. energy: 4.729 local terms energy: -548.021585 where: bonds (distance) C4'-P energy: -135.605 bonds (distance) P-C4' energy: -173.820 flat angles C4'-P-C4' energy: -139.572 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -15.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1029.345859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.345859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.345859 (E_RNA) where: Base-Base interactions energy: -523.923 where: short stacking energy: -290.464 Base-Backbone interact. energy: -1.172 local terms energy: -504.251182 where: bonds (distance) C4'-P energy: -128.402 bonds (distance) P-C4' energy: -155.727 flat angles C4'-P-C4' energy: -121.621 flat angles P-C4'-P energy: -80.177 tors. eta vs tors. theta energy: -18.325 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: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -707.985303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.985303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.985303 (E_RNA) where: Base-Base interactions energy: -234.926 where: short stacking energy: -177.367 Base-Backbone interact. energy: -2.170 local terms energy: -470.889114 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -150.850 flat angles C4'-P-C4' energy: -131.391 flat angles P-C4'-P energy: -80.799 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: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2637.141438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.141438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.141438 (E_RNA) where: Base-Base interactions energy: -1720.125 where: short stacking energy: -812.664 Base-Backbone interact. energy: -3.209 local terms energy: -913.807830 where: bonds (distance) C4'-P energy: -188.675 bonds (distance) P-C4' energy: -180.301 flat angles C4'-P-C4' energy: -190.154 flat angles P-C4'-P energy: -127.290 tors. eta vs tors. theta energy: -227.387 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: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2318.629088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.629088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.629088 (E_RNA) where: Base-Base interactions energy: -1489.358 where: short stacking energy: -703.232 Base-Backbone interact. energy: 1.444 local terms energy: -830.714893 where: bonds (distance) C4'-P energy: -171.039 bonds (distance) P-C4' energy: -181.116 flat angles C4'-P-C4' energy: -187.395 flat angles P-C4'-P energy: -119.561 tors. eta vs tors. theta energy: -171.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2043.873403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.873403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.873403 (E_RNA) where: Base-Base interactions energy: -1231.394 where: short stacking energy: -622.717 Base-Backbone interact. energy: -1.669 local terms energy: -810.810093 where: bonds (distance) C4'-P energy: -164.762 bonds (distance) P-C4' energy: -181.012 flat angles C4'-P-C4' energy: -194.975 flat angles P-C4'-P energy: -104.868 tors. eta vs tors. theta energy: -165.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1889.656794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.656794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.656794 (E_RNA) where: Base-Base interactions energy: -1133.716 where: short stacking energy: -596.410 Base-Backbone interact. energy: -1.124 local terms energy: -754.816713 where: bonds (distance) C4'-P energy: -161.271 bonds (distance) P-C4' energy: -159.630 flat angles C4'-P-C4' energy: -186.974 flat angles P-C4'-P energy: -108.271 tors. eta vs tors. theta energy: -138.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1724.111038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.111038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.111038 (E_RNA) where: Base-Base interactions energy: -1025.087 where: short stacking energy: -524.092 Base-Backbone interact. energy: -1.086 local terms energy: -697.937863 where: bonds (distance) C4'-P energy: -167.538 bonds (distance) P-C4' energy: -161.234 flat angles C4'-P-C4' energy: -154.214 flat angles P-C4'-P energy: -108.271 tors. eta vs tors. theta energy: -106.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1438.841607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.841607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.841607 (E_RNA) where: Base-Base interactions energy: -812.190 where: short stacking energy: -382.608 Base-Backbone interact. energy: -4.038 local terms energy: -622.614187 where: bonds (distance) C4'-P energy: -163.283 bonds (distance) P-C4' energy: -161.245 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -43.454 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: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1311.938695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.938695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.938695 (E_RNA) where: Base-Base interactions energy: -757.193 where: short stacking energy: -404.796 Base-Backbone interact. energy: 2.029 local terms energy: -556.774417 where: bonds (distance) C4'-P energy: -137.636 bonds (distance) P-C4' energy: -146.365 flat angles C4'-P-C4' energy: -142.134 flat angles P-C4'-P energy: -69.166 tors. eta vs tors. theta energy: -61.473 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: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1104.223099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.223099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.223099 (E_RNA) where: Base-Base interactions energy: -511.039 where: short stacking energy: -311.120 Base-Backbone interact. energy: 2.200 local terms energy: -595.383235 where: bonds (distance) C4'-P energy: -148.629 bonds (distance) P-C4' energy: -164.186 flat angles C4'-P-C4' energy: -152.992 flat angles P-C4'-P energy: -92.024 tors. eta vs tors. theta energy: -37.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1017.016325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.016325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.016325 (E_RNA) where: Base-Base interactions energy: -538.795 where: short stacking energy: -284.849 Base-Backbone interact. energy: 4.329 local terms energy: -482.549785 where: bonds (distance) C4'-P energy: -132.726 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -120.465 flat angles P-C4'-P energy: -78.040 tors. eta vs tors. theta energy: 1.531 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: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -711.483091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.483091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.483091 (E_RNA) where: Base-Base interactions energy: -259.396 where: short stacking energy: -195.093 Base-Backbone interact. energy: -0.098 local terms energy: -451.989261 where: bonds (distance) C4'-P energy: -145.522 bonds (distance) P-C4' energy: -137.619 flat angles C4'-P-C4' energy: -130.947 flat angles P-C4'-P energy: -90.910 tors. eta vs tors. theta energy: 53.008 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: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2587.099892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.099892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.099892 (E_RNA) where: Base-Base interactions energy: -1662.802 where: short stacking energy: -771.623 Base-Backbone interact. energy: -0.834 local terms energy: -923.463964 where: bonds (distance) C4'-P energy: -197.875 bonds (distance) P-C4' energy: -167.886 flat angles C4'-P-C4' energy: -197.350 flat angles P-C4'-P energy: -132.461 tors. eta vs tors. theta energy: -227.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2423.513672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.513672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.513672 (E_RNA) where: Base-Base interactions energy: -1568.545 where: short stacking energy: -743.183 Base-Backbone interact. energy: -3.686 local terms energy: -851.283060 where: bonds (distance) C4'-P energy: -144.637 bonds (distance) P-C4' energy: -186.891 flat angles C4'-P-C4' energy: -194.605 flat angles P-C4'-P energy: -130.083 tors. eta vs tors. theta energy: -195.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2052.650538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.650538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.650538 (E_RNA) where: Base-Base interactions energy: -1244.278 where: short stacking energy: -658.293 Base-Backbone interact. energy: -0.529 local terms energy: -807.843068 where: bonds (distance) C4'-P energy: -160.701 bonds (distance) P-C4' energy: -167.335 flat angles C4'-P-C4' energy: -188.261 flat angles P-C4'-P energy: -108.749 tors. eta vs tors. theta energy: -182.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1895.087510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.087510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.087510 (E_RNA) where: Base-Base interactions energy: -1141.031 where: short stacking energy: -609.221 Base-Backbone interact. energy: -0.177 local terms energy: -753.880123 where: bonds (distance) C4'-P energy: -162.798 bonds (distance) P-C4' energy: -169.012 flat angles C4'-P-C4' energy: -183.737 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -136.293 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: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1759.704824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.704824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.704824 (E_RNA) where: Base-Base interactions energy: -1072.134 where: short stacking energy: -519.975 Base-Backbone interact. energy: 2.279 local terms energy: -689.849199 where: bonds (distance) C4'-P energy: -171.705 bonds (distance) P-C4' energy: -162.132 flat angles C4'-P-C4' energy: -155.002 flat angles P-C4'-P energy: -105.076 tors. eta vs tors. theta energy: -95.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1409.032956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.032956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.032956 (E_RNA) where: Base-Base interactions energy: -805.844 where: short stacking energy: -404.429 Base-Backbone interact. energy: -1.370 local terms energy: -601.818659 where: bonds (distance) C4'-P energy: -153.027 bonds (distance) P-C4' energy: -155.838 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -89.003 tors. eta vs tors. theta energy: -51.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1357.253836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.253836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.253836 (E_RNA) where: Base-Base interactions energy: -778.620 where: short stacking energy: -436.365 Base-Backbone interact. energy: 2.322 local terms energy: -580.956066 where: bonds (distance) C4'-P energy: -134.085 bonds (distance) P-C4' energy: -175.313 flat angles C4'-P-C4' energy: -134.076 flat angles P-C4'-P energy: -82.336 tors. eta vs tors. theta energy: -55.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1036.240839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.240839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.240839 (E_RNA) where: Base-Base interactions energy: -463.875 where: short stacking energy: -301.734 Base-Backbone interact. energy: -1.079 local terms energy: -571.287006 where: bonds (distance) C4'-P energy: -168.624 bonds (distance) P-C4' energy: -147.374 flat angles C4'-P-C4' energy: -158.482 flat angles P-C4'-P energy: -78.085 tors. eta vs tors. theta energy: -18.723 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: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1020.951854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.951854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.951854 (E_RNA) where: Base-Base interactions energy: -482.180 where: short stacking energy: -260.201 Base-Backbone interact. energy: -4.421 local terms energy: -534.350462 where: bonds (distance) C4'-P energy: -149.913 bonds (distance) P-C4' energy: -152.466 flat angles C4'-P-C4' energy: -156.464 flat angles P-C4'-P energy: -84.316 tors. eta vs tors. theta energy: 8.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -670.382644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.382644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.382644 (E_RNA) where: Base-Base interactions energy: -223.785 where: short stacking energy: -170.889 Base-Backbone interact. energy: -0.957 local terms energy: -445.641044 where: bonds (distance) C4'-P energy: -133.954 bonds (distance) P-C4' energy: -160.936 flat angles C4'-P-C4' energy: -128.605 flat angles P-C4'-P energy: -74.329 tors. eta vs tors. theta energy: 52.183 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: 34 Temperature: 0.900000 Total energy: -2573.613640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.613640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.613640 (E_RNA) where: Base-Base interactions energy: -1663.429 where: short stacking energy: -809.301 Base-Backbone interact. energy: 1.109 local terms energy: -911.293803 where: bonds (distance) C4'-P energy: -182.950 bonds (distance) P-C4' energy: -169.131 flat angles C4'-P-C4' energy: -204.703 flat angles P-C4'-P energy: -132.461 tors. eta vs tors. theta energy: -222.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2417.642770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.642770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.642770 (E_RNA) where: Base-Base interactions energy: -1597.284 where: short stacking energy: -697.073 Base-Backbone interact. energy: -6.005 local terms energy: -814.353581 where: bonds (distance) C4'-P energy: -168.361 bonds (distance) P-C4' energy: -174.474 flat angles C4'-P-C4' energy: -196.811 flat angles P-C4'-P energy: -111.598 tors. eta vs tors. theta energy: -163.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2049.162526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.162526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.162526 (E_RNA) where: Base-Base interactions energy: -1227.014 where: short stacking energy: -658.183 Base-Backbone interact. energy: -1.450 local terms energy: -820.697702 where: bonds (distance) C4'-P energy: -171.551 bonds (distance) P-C4' energy: -186.098 flat angles C4'-P-C4' energy: -200.573 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -165.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1901.841938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.841938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.841938 (E_RNA) where: Base-Base interactions energy: -1144.424 where: short stacking energy: -597.706 Base-Backbone interact. energy: -0.923 local terms energy: -756.494705 where: bonds (distance) C4'-P energy: -148.636 bonds (distance) P-C4' energy: -174.717 flat angles C4'-P-C4' energy: -185.730 flat angles P-C4'-P energy: -113.659 tors. eta vs tors. theta energy: -133.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1767.034206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.034206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.034206 (E_RNA) where: Base-Base interactions energy: -1064.292 where: short stacking energy: -507.497 Base-Backbone interact. energy: -4.533 local terms energy: -698.209665 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -168.205 flat angles C4'-P-C4' energy: -162.811 flat angles P-C4'-P energy: -107.304 tors. eta vs tors. theta energy: -116.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1498.161575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.161575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.161575 (E_RNA) where: Base-Base interactions energy: -835.118 where: short stacking energy: -449.968 Base-Backbone interact. energy: -6.482 local terms energy: -656.562131 where: bonds (distance) C4'-P energy: -134.313 bonds (distance) P-C4' energy: -166.419 flat angles C4'-P-C4' energy: -158.769 flat angles P-C4'-P energy: -108.383 tors. eta vs tors. theta energy: -88.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1242.503437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.503437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.503437 (E_RNA) where: Base-Base interactions energy: -680.057 where: short stacking energy: -360.364 Base-Backbone interact. energy: -2.027 local terms energy: -560.418841 where: bonds (distance) C4'-P energy: -112.733 bonds (distance) P-C4' energy: -171.403 flat angles C4'-P-C4' energy: -147.216 flat angles P-C4'-P energy: -86.657 tors. eta vs tors. theta energy: -42.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1059.024316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.024316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.024316 (E_RNA) where: Base-Base interactions energy: -526.784 where: short stacking energy: -309.072 Base-Backbone interact. energy: -3.087 local terms energy: -529.153482 where: bonds (distance) C4'-P energy: -136.798 bonds (distance) P-C4' energy: -158.907 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -81.072 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: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -990.330954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.330954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.330954 (E_RNA) where: Base-Base interactions energy: -504.055 where: short stacking energy: -283.824 Base-Backbone interact. energy: 0.329 local terms energy: -486.604914 where: bonds (distance) C4'-P energy: -153.023 bonds (distance) P-C4' energy: -149.897 flat angles C4'-P-C4' energy: -125.939 flat angles P-C4'-P energy: -57.487 tors. eta vs tors. theta energy: -0.258 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: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -656.206201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.206201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.206201 (E_RNA) where: Base-Base interactions energy: -223.281 where: short stacking energy: -172.010 Base-Backbone interact. energy: 2.172 local terms energy: -435.097391 where: bonds (distance) C4'-P energy: -147.747 bonds (distance) P-C4' energy: -155.827 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: 31.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2567.703676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.703676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.703676 (E_RNA) where: Base-Base interactions energy: -1639.889 where: short stacking energy: -785.702 Base-Backbone interact. energy: -1.751 local terms energy: -926.063638 where: bonds (distance) C4'-P energy: -188.554 bonds (distance) P-C4' energy: -195.335 flat angles C4'-P-C4' energy: -204.729 flat angles P-C4'-P energy: -128.106 tors. eta vs tors. theta energy: -209.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2429.947720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.947720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.947720 (E_RNA) where: Base-Base interactions energy: -1557.512 where: short stacking energy: -728.727 Base-Backbone interact. energy: -4.536 local terms energy: -867.899379 where: bonds (distance) C4'-P energy: -175.639 bonds (distance) P-C4' energy: -182.105 flat angles C4'-P-C4' energy: -194.980 flat angles P-C4'-P energy: -122.892 tors. eta vs tors. theta energy: -192.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2018.500777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.500777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.500777 (E_RNA) where: Base-Base interactions energy: -1230.347 where: short stacking energy: -675.811 Base-Backbone interact. energy: -0.704 local terms energy: -787.449515 where: bonds (distance) C4'-P energy: -144.927 bonds (distance) P-C4' energy: -170.147 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -119.989 tors. eta vs tors. theta energy: -168.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1840.288508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.288508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.288508 (E_RNA) where: Base-Base interactions energy: -1087.317 where: short stacking energy: -545.201 Base-Backbone interact. energy: -3.012 local terms energy: -749.959119 where: bonds (distance) C4'-P energy: -161.465 bonds (distance) P-C4' energy: -181.376 flat angles C4'-P-C4' energy: -162.737 flat angles P-C4'-P energy: -121.301 tors. eta vs tors. theta energy: -123.080 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: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1813.746921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.746921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.746921 (E_RNA) where: Base-Base interactions energy: -1085.761 where: short stacking energy: -552.495 Base-Backbone interact. energy: -1.678 local terms energy: -726.308460 where: bonds (distance) C4'-P energy: -165.362 bonds (distance) P-C4' energy: -175.501 flat angles C4'-P-C4' energy: -163.369 flat angles P-C4'-P energy: -109.827 tors. eta vs tors. theta energy: -112.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1539.944300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.944300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.944300 (E_RNA) where: Base-Base interactions energy: -885.040 where: short stacking energy: -434.333 Base-Backbone interact. energy: 6.271 local terms energy: -661.174982 where: bonds (distance) C4'-P energy: -167.887 bonds (distance) P-C4' energy: -166.083 flat angles C4'-P-C4' energy: -143.581 flat angles P-C4'-P energy: -103.891 tors. eta vs tors. theta energy: -79.733 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: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1367.105705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.105705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.105705 (E_RNA) where: Base-Base interactions energy: -784.640 where: short stacking energy: -409.126 Base-Backbone interact. energy: 3.034 local terms energy: -585.499424 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -155.401 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -49.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1051.447103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.447103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.447103 (E_RNA) where: Base-Base interactions energy: -510.739 where: short stacking energy: -277.403 Base-Backbone interact. energy: 1.354 local terms energy: -542.061848 where: bonds (distance) C4'-P energy: -155.282 bonds (distance) P-C4' energy: -154.073 flat angles C4'-P-C4' energy: -151.976 flat angles P-C4'-P energy: -78.594 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -977.920067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.920067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.920067 (E_RNA) where: Base-Base interactions energy: -430.121 where: short stacking energy: -250.930 Base-Backbone interact. energy: 0.423 local terms energy: -548.222050 where: bonds (distance) C4'-P energy: -157.417 bonds (distance) P-C4' energy: -162.707 flat angles C4'-P-C4' energy: -119.084 flat angles P-C4'-P energy: -101.168 tors. eta vs tors. theta energy: -7.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -712.561643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.561643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.561643 (E_RNA) where: Base-Base interactions energy: -248.207 where: short stacking energy: -193.522 Base-Backbone interact. energy: -1.012 local terms energy: -463.342845 where: bonds (distance) C4'-P energy: -151.298 bonds (distance) P-C4' energy: -153.198 flat angles C4'-P-C4' energy: -116.416 flat angles P-C4'-P energy: -73.973 tors. eta vs tors. theta energy: 31.542 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: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2592.693034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.693034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.693034 (E_RNA) where: Base-Base interactions energy: -1667.652 where: short stacking energy: -785.002 Base-Backbone interact. energy: -1.763 local terms energy: -923.277483 where: bonds (distance) C4'-P energy: -173.742 bonds (distance) P-C4' energy: -203.422 flat angles C4'-P-C4' energy: -205.061 flat angles P-C4'-P energy: -135.575 tors. eta vs tors. theta energy: -205.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2442.215143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.215143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.215143 (E_RNA) where: Base-Base interactions energy: -1566.724 where: short stacking energy: -755.296 Base-Backbone interact. energy: -2.681 local terms energy: -872.810179 where: bonds (distance) C4'-P energy: -168.336 bonds (distance) P-C4' energy: -179.334 flat angles C4'-P-C4' energy: -187.295 flat angles P-C4'-P energy: -119.397 tors. eta vs tors. theta energy: -218.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2082.192950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.192950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.192950 (E_RNA) where: Base-Base interactions energy: -1275.775 where: short stacking energy: -663.645 Base-Backbone interact. energy: 0.904 local terms energy: -807.322462 where: bonds (distance) C4'-P energy: -174.615 bonds (distance) P-C4' energy: -177.132 flat angles C4'-P-C4' energy: -178.817 flat angles P-C4'-P energy: -119.181 tors. eta vs tors. theta energy: -157.578 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: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1817.139889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.139889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.139889 (E_RNA) where: Base-Base interactions energy: -1050.536 where: short stacking energy: -622.853 Base-Backbone interact. energy: -3.679 local terms energy: -762.925384 where: bonds (distance) C4'-P energy: -183.419 bonds (distance) P-C4' energy: -176.857 flat angles C4'-P-C4' energy: -169.488 flat angles P-C4'-P energy: -100.991 tors. eta vs tors. theta energy: -132.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1794.915550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.915550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.915550 (E_RNA) where: Base-Base interactions energy: -1091.098 where: short stacking energy: -542.093 Base-Backbone interact. energy: 0.757 local terms energy: -704.574586 where: bonds (distance) C4'-P energy: -156.990 bonds (distance) P-C4' energy: -174.249 flat angles C4'-P-C4' energy: -163.550 flat angles P-C4'-P energy: -102.648 tors. eta vs tors. theta energy: -107.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1663.757334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.757334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.757334 (E_RNA) where: Base-Base interactions energy: -1005.119 where: short stacking energy: -472.775 Base-Backbone interact. energy: -2.993 local terms energy: -655.646051 where: bonds (distance) C4'-P energy: -142.588 bonds (distance) P-C4' energy: -166.926 flat angles C4'-P-C4' energy: -158.122 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -91.519 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1443.607597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.607597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.607597 (E_RNA) where: Base-Base interactions energy: -815.335 where: short stacking energy: -417.700 Base-Backbone interact. energy: -5.417 local terms energy: -622.855378 where: bonds (distance) C4'-P energy: -146.243 bonds (distance) P-C4' energy: -145.292 flat angles C4'-P-C4' energy: -166.641 flat angles P-C4'-P energy: -105.145 tors. eta vs tors. theta energy: -59.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1130.450111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.450111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.450111 (E_RNA) where: Base-Base interactions energy: -583.918 where: short stacking energy: -305.648 Base-Backbone interact. energy: 1.919 local terms energy: -548.450838 where: bonds (distance) C4'-P energy: -176.887 bonds (distance) P-C4' energy: -170.938 flat angles C4'-P-C4' energy: -130.782 flat angles P-C4'-P energy: -79.310 tors. eta vs tors. theta energy: 9.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1008.888152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.888152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.888152 (E_RNA) where: Base-Base interactions energy: -483.072 where: short stacking energy: -248.122 Base-Backbone interact. energy: 5.867 local terms energy: -531.683070 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -160.432 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -89.654 tors. eta vs tors. theta energy: 6.411 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: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -669.144793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.144793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.144793 (E_RNA) where: Base-Base interactions energy: -239.555 where: short stacking energy: -176.791 Base-Backbone interact. energy: -2.060 local terms energy: -427.530080 where: bonds (distance) C4'-P energy: -145.839 bonds (distance) P-C4' energy: -152.884 flat angles C4'-P-C4' energy: -108.355 flat angles P-C4'-P energy: -71.120 tors. eta vs tors. theta energy: 50.668 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: 37 Temperature: 0.900000 Total energy: -2583.626753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.626753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.626753 (E_RNA) where: Base-Base interactions energy: -1666.169 where: short stacking energy: -781.147 Base-Backbone interact. energy: -0.726 local terms energy: -916.731624 where: bonds (distance) C4'-P energy: -180.970 bonds (distance) P-C4' energy: -187.622 flat angles C4'-P-C4' energy: -201.375 flat angles P-C4'-P energy: -136.023 tors. eta vs tors. theta energy: -210.742 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: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2445.926078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.926078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.926078 (E_RNA) where: Base-Base interactions energy: -1559.560 where: short stacking energy: -733.620 Base-Backbone interact. energy: 0.672 local terms energy: -887.038018 where: bonds (distance) C4'-P energy: -164.653 bonds (distance) P-C4' energy: -201.311 flat angles C4'-P-C4' energy: -204.542 flat angles P-C4'-P energy: -113.172 tors. eta vs tors. theta energy: -203.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2104.445073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.445073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.445073 (E_RNA) where: Base-Base interactions energy: -1294.805 where: short stacking energy: -675.073 Base-Backbone interact. energy: -0.595 local terms energy: -809.045277 where: bonds (distance) C4'-P energy: -171.725 bonds (distance) P-C4' energy: -169.077 flat angles C4'-P-C4' energy: -194.160 flat angles P-C4'-P energy: -102.626 tors. eta vs tors. theta energy: -171.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1864.388058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.388058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.388058 (E_RNA) where: Base-Base interactions energy: -1086.488 where: short stacking energy: -584.182 Base-Backbone interact. energy: -3.700 local terms energy: -774.200717 where: bonds (distance) C4'-P energy: -158.442 bonds (distance) P-C4' energy: -170.432 flat angles C4'-P-C4' energy: -187.988 flat angles P-C4'-P energy: -106.443 tors. eta vs tors. theta energy: -150.896 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: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1824.447872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.447872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.447872 (E_RNA) where: Base-Base interactions energy: -1108.401 where: short stacking energy: -541.802 Base-Backbone interact. energy: 1.568 local terms energy: -717.615265 where: bonds (distance) C4'-P energy: -159.489 bonds (distance) P-C4' energy: -174.451 flat angles C4'-P-C4' energy: -159.735 flat angles P-C4'-P energy: -95.776 tors. eta vs tors. theta energy: -128.164 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: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1736.128912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.128912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.128912 (E_RNA) where: Base-Base interactions energy: -1042.114 where: short stacking energy: -465.049 Base-Backbone interact. energy: -1.589 local terms energy: -692.425640 where: bonds (distance) C4'-P energy: -166.122 bonds (distance) P-C4' energy: -179.535 flat angles C4'-P-C4' energy: -152.918 flat angles P-C4'-P energy: -92.435 tors. eta vs tors. theta energy: -101.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1423.293577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.293577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.293577 (E_RNA) where: Base-Base interactions energy: -792.874 where: short stacking energy: -409.062 Base-Backbone interact. energy: -4.814 local terms energy: -625.605663 where: bonds (distance) C4'-P energy: -171.980 bonds (distance) P-C4' energy: -164.815 flat angles C4'-P-C4' energy: -153.245 flat angles P-C4'-P energy: -88.567 tors. eta vs tors. theta energy: -46.999 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: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1175.490151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.490151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.490151 (E_RNA) where: Base-Base interactions energy: -619.037 where: short stacking energy: -352.913 Base-Backbone interact. energy: 3.197 local terms energy: -559.649940 where: bonds (distance) C4'-P energy: -158.296 bonds (distance) P-C4' energy: -170.043 flat angles C4'-P-C4' energy: -115.962 flat angles P-C4'-P energy: -79.615 tors. eta vs tors. theta energy: -35.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -995.934107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.934107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.934107 (E_RNA) where: Base-Base interactions energy: -494.840 where: short stacking energy: -291.418 Base-Backbone interact. energy: -0.620 local terms energy: -500.473902 where: bonds (distance) C4'-P energy: -158.260 bonds (distance) P-C4' energy: -153.357 flat angles C4'-P-C4' energy: -129.513 flat angles P-C4'-P energy: -63.688 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: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -721.176347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.176347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.176347 (E_RNA) where: Base-Base interactions energy: -265.458 where: short stacking energy: -190.232 Base-Backbone interact. energy: -2.360 local terms energy: -453.359272 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -136.863 flat angles C4'-P-C4' energy: -140.556 flat angles P-C4'-P energy: -56.656 tors. eta vs tors. theta energy: 38.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2532.001151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.001151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.001151 (E_RNA) where: Base-Base interactions energy: -1632.798 where: short stacking energy: -770.194 Base-Backbone interact. energy: -1.059 local terms energy: -898.143971 where: bonds (distance) C4'-P energy: -178.668 bonds (distance) P-C4' energy: -195.255 flat angles C4'-P-C4' energy: -196.798 flat angles P-C4'-P energy: -126.251 tors. eta vs tors. theta energy: -201.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2437.046935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.046935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.046935 (E_RNA) where: Base-Base interactions energy: -1595.565 where: short stacking energy: -752.425 Base-Backbone interact. energy: -1.578 local terms energy: -839.903199 where: bonds (distance) C4'-P energy: -175.667 bonds (distance) P-C4' energy: -176.674 flat angles C4'-P-C4' energy: -175.036 flat angles P-C4'-P energy: -110.870 tors. eta vs tors. theta energy: -201.657 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: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2036.774717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.774717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.774717 (E_RNA) where: Base-Base interactions energy: -1244.892 where: short stacking energy: -620.544 Base-Backbone interact. energy: -1.600 local terms energy: -790.282462 where: bonds (distance) C4'-P energy: -161.987 bonds (distance) P-C4' energy: -174.626 flat angles C4'-P-C4' energy: -187.285 flat angles P-C4'-P energy: -116.849 tors. eta vs tors. theta energy: -149.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1902.908970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.908970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.908970 (E_RNA) where: Base-Base interactions energy: -1142.740 where: short stacking energy: -609.625 Base-Backbone interact. energy: -1.836 local terms energy: -758.333106 where: bonds (distance) C4'-P energy: -152.461 bonds (distance) P-C4' energy: -166.906 flat angles C4'-P-C4' energy: -169.296 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -147.167 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1848.245127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.245127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.245127 (E_RNA) where: Base-Base interactions energy: -1132.651 where: short stacking energy: -557.316 Base-Backbone interact. energy: -0.224 local terms energy: -715.370054 where: bonds (distance) C4'-P energy: -171.975 bonds (distance) P-C4' energy: -150.144 flat angles C4'-P-C4' energy: -161.582 flat angles P-C4'-P energy: -115.696 tors. eta vs tors. theta energy: -115.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1699.496570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.496570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.496570 (E_RNA) where: Base-Base interactions energy: -993.896 where: short stacking energy: -493.683 Base-Backbone interact. energy: 0.022 local terms energy: -705.622916 where: bonds (distance) C4'-P energy: -167.622 bonds (distance) P-C4' energy: -158.027 flat angles C4'-P-C4' energy: -153.169 flat angles P-C4'-P energy: -111.011 tors. eta vs tors. theta energy: -115.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1619.887999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.887999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.887999 (E_RNA) where: Base-Base interactions energy: -1008.973 where: short stacking energy: -454.101 Base-Backbone interact. energy: 1.106 local terms energy: -612.020757 where: bonds (distance) C4'-P energy: -155.060 bonds (distance) P-C4' energy: -163.748 flat angles C4'-P-C4' energy: -149.472 flat angles P-C4'-P energy: -78.411 tors. eta vs tors. theta energy: -65.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1219.081158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.081158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.081158 (E_RNA) where: Base-Base interactions energy: -636.786 where: short stacking energy: -311.079 Base-Backbone interact. energy: 1.110 local terms energy: -583.404968 where: bonds (distance) C4'-P energy: -153.401 bonds (distance) P-C4' energy: -169.401 flat angles C4'-P-C4' energy: -155.979 flat angles P-C4'-P energy: -88.358 tors. eta vs tors. theta energy: -16.267 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: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1004.673160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.673160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.673160 (E_RNA) where: Base-Base interactions energy: -496.587 where: short stacking energy: -285.765 Base-Backbone interact. energy: -3.036 local terms energy: -505.050414 where: bonds (distance) C4'-P energy: -148.209 bonds (distance) P-C4' energy: -142.054 flat angles C4'-P-C4' energy: -153.974 flat angles P-C4'-P energy: -62.239 tors. eta vs tors. theta energy: 1.426 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: 38 Temperature: 1.350000 Total energy: -720.814903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.814903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.814903 (E_RNA) where: Base-Base interactions energy: -278.606 where: short stacking energy: -192.893 Base-Backbone interact. energy: 4.926 local terms energy: -447.134486 where: bonds (distance) C4'-P energy: -160.090 bonds (distance) P-C4' energy: -162.446 flat angles C4'-P-C4' energy: -117.939 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: 66.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2565.651660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.651660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.651660 (E_RNA) where: Base-Base interactions energy: -1642.245 where: short stacking energy: -782.658 Base-Backbone interact. energy: -4.315 local terms energy: -919.091876 where: bonds (distance) C4'-P energy: -190.155 bonds (distance) P-C4' energy: -196.531 flat angles C4'-P-C4' energy: -198.124 flat angles P-C4'-P energy: -113.525 tors. eta vs tors. theta energy: -220.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2513.144570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.144570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.144570 (E_RNA) where: Base-Base interactions energy: -1615.416 where: short stacking energy: -717.286 Base-Backbone interact. energy: -0.788 local terms energy: -896.941346 where: bonds (distance) C4'-P energy: -176.235 bonds (distance) P-C4' energy: -197.534 flat angles C4'-P-C4' energy: -204.194 flat angles P-C4'-P energy: -114.813 tors. eta vs tors. theta energy: -204.165 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: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2041.676697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.676697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.676697 (E_RNA) where: Base-Base interactions energy: -1230.251 where: short stacking energy: -612.440 Base-Backbone interact. energy: -0.856 local terms energy: -810.569209 where: bonds (distance) C4'-P energy: -174.948 bonds (distance) P-C4' energy: -171.443 flat angles C4'-P-C4' energy: -182.575 flat angles P-C4'-P energy: -124.669 tors. eta vs tors. theta energy: -156.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1932.273099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.273099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.273099 (E_RNA) where: Base-Base interactions energy: -1154.161 where: short stacking energy: -579.846 Base-Backbone interact. energy: -2.501 local terms energy: -775.611078 where: bonds (distance) C4'-P energy: -163.659 bonds (distance) P-C4' energy: -163.901 flat angles C4'-P-C4' energy: -181.441 flat angles P-C4'-P energy: -117.894 tors. eta vs tors. theta energy: -148.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1859.039466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.039466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.039466 (E_RNA) where: Base-Base interactions energy: -1123.761 where: short stacking energy: -526.146 Base-Backbone interact. energy: -2.774 local terms energy: -732.504369 where: bonds (distance) C4'-P energy: -156.241 bonds (distance) P-C4' energy: -173.479 flat angles C4'-P-C4' energy: -170.037 flat angles P-C4'-P energy: -113.950 tors. eta vs tors. theta energy: -118.797 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: 39 Temperature: 1.150000 Total energy: -1665.857661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.857661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.857661 (E_RNA) where: Base-Base interactions energy: -988.167 where: short stacking energy: -485.510 Base-Backbone interact. energy: 1.147 local terms energy: -678.837303 where: bonds (distance) C4'-P energy: -149.205 bonds (distance) P-C4' energy: -185.065 flat angles C4'-P-C4' energy: -149.030 flat angles P-C4'-P energy: -105.235 tors. eta vs tors. theta energy: -90.302 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: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1565.764625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.764625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.764625 (E_RNA) where: Base-Base interactions energy: -931.084 where: short stacking energy: -415.378 Base-Backbone interact. energy: -0.993 local terms energy: -633.687000 where: bonds (distance) C4'-P energy: -161.089 bonds (distance) P-C4' energy: -159.270 flat angles C4'-P-C4' energy: -156.034 flat angles P-C4'-P energy: -82.292 tors. eta vs tors. theta energy: -75.002 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: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1289.720189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.720189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.720189 (E_RNA) where: Base-Base interactions energy: -721.044 where: short stacking energy: -381.515 Base-Backbone interact. energy: 3.539 local terms energy: -572.215240 where: bonds (distance) C4'-P energy: -129.055 bonds (distance) P-C4' energy: -157.943 flat angles C4'-P-C4' energy: -136.126 flat angles P-C4'-P energy: -84.762 tors. eta vs tors. theta energy: -64.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -988.432934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.432934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.432934 (E_RNA) where: Base-Base interactions energy: -485.240 where: short stacking energy: -255.386 Base-Backbone interact. energy: 4.883 local terms energy: -508.076537 where: bonds (distance) C4'-P energy: -142.808 bonds (distance) P-C4' energy: -151.826 flat angles C4'-P-C4' energy: -105.440 flat angles P-C4'-P energy: -94.586 tors. eta vs tors. theta energy: -13.416 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: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -764.650221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.650221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.650221 (E_RNA) where: Base-Base interactions energy: -271.190 where: short stacking energy: -226.082 Base-Backbone interact. energy: 2.009 local terms energy: -495.468996 where: bonds (distance) C4'-P energy: -122.373 bonds (distance) P-C4' energy: -165.641 flat angles C4'-P-C4' energy: -130.334 flat angles P-C4'-P energy: -86.581 tors. eta vs tors. theta energy: 9.460 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: 40 Temperature: 0.900000 Total energy: -2562.053386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.053386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.053386 (E_RNA) where: Base-Base interactions energy: -1669.180 where: short stacking energy: -778.705 Base-Backbone interact. energy: -0.099 local terms energy: -892.774411 where: bonds (distance) C4'-P energy: -179.247 bonds (distance) P-C4' energy: -184.082 flat angles C4'-P-C4' energy: -201.337 flat angles P-C4'-P energy: -121.723 tors. eta vs tors. theta energy: -206.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2530.685536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.685536 (E_RNA) where: Base-Base interactions energy: -1592.627 where: short stacking energy: -747.870 Base-Backbone interact. energy: -2.390 local terms energy: -935.668958 where: bonds (distance) C4'-P energy: -199.640 bonds (distance) P-C4' energy: -193.922 flat angles C4'-P-C4' energy: -191.340 flat angles P-C4'-P energy: -134.892 tors. eta vs tors. theta energy: -215.875 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: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2049.304476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.304476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.304476 (E_RNA) where: Base-Base interactions energy: -1225.978 where: short stacking energy: -615.641 Base-Backbone interact. energy: -1.609 local terms energy: -821.717930 where: bonds (distance) C4'-P energy: -176.645 bonds (distance) P-C4' energy: -174.225 flat angles C4'-P-C4' energy: -195.139 flat angles P-C4'-P energy: -119.503 tors. eta vs tors. theta energy: -156.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1936.419026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.419026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.419026 (E_RNA) where: Base-Base interactions energy: -1185.618 where: short stacking energy: -638.729 Base-Backbone interact. energy: -3.646 local terms energy: -747.155327 where: bonds (distance) C4'-P energy: -158.382 bonds (distance) P-C4' energy: -161.560 flat angles C4'-P-C4' energy: -165.241 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -147.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1917.894085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.894085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.894085 (E_RNA) where: Base-Base interactions energy: -1193.913 where: short stacking energy: -590.189 Base-Backbone interact. energy: 3.639 local terms energy: -727.620260 where: bonds (distance) C4'-P energy: -175.226 bonds (distance) P-C4' energy: -162.237 flat angles C4'-P-C4' energy: -155.319 flat angles P-C4'-P energy: -96.159 tors. eta vs tors. theta energy: -138.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1577.825558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.825558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.825558 (E_RNA) where: Base-Base interactions energy: -928.408 where: short stacking energy: -461.909 Base-Backbone interact. energy: -1.999 local terms energy: -647.417856 where: bonds (distance) C4'-P energy: -153.107 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -85.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1602.652186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.652186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.652186 (E_RNA) where: Base-Base interactions energy: -985.767 where: short stacking energy: -485.103 Base-Backbone interact. energy: 3.241 local terms energy: -620.126286 where: bonds (distance) C4'-P energy: -139.741 bonds (distance) P-C4' energy: -150.805 flat angles C4'-P-C4' energy: -157.592 flat angles P-C4'-P energy: -80.693 tors. eta vs tors. theta energy: -91.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1327.867821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.867821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.867821 (E_RNA) where: Base-Base interactions energy: -721.391 where: short stacking energy: -375.052 Base-Backbone interact. energy: -2.938 local terms energy: -603.539026 where: bonds (distance) C4'-P energy: -156.372 bonds (distance) P-C4' energy: -161.485 flat angles C4'-P-C4' energy: -123.371 flat angles P-C4'-P energy: -108.182 tors. eta vs tors. theta energy: -54.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1060.784180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.784180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.784180 (E_RNA) where: Base-Base interactions energy: -533.291 where: short stacking energy: -298.225 Base-Backbone interact. energy: 6.085 local terms energy: -533.578209 where: bonds (distance) C4'-P energy: -156.819 bonds (distance) P-C4' energy: -145.926 flat angles C4'-P-C4' energy: -134.530 flat angles P-C4'-P energy: -84.373 tors. eta vs tors. theta energy: -11.930 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: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -727.710771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.710771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.710771 (E_RNA) where: Base-Base interactions energy: -281.500 where: short stacking energy: -196.827 Base-Backbone interact. energy: 3.432 local terms energy: -449.642604 where: bonds (distance) C4'-P energy: -132.833 bonds (distance) P-C4' energy: -147.737 flat angles C4'-P-C4' energy: -116.528 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: 26.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2544.241763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.241763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.241763 (E_RNA) where: Base-Base interactions energy: -1642.210 where: short stacking energy: -742.833 Base-Backbone interact. energy: -5.355 local terms energy: -896.676112 where: bonds (distance) C4'-P energy: -187.300 bonds (distance) P-C4' energy: -175.150 flat angles C4'-P-C4' energy: -203.528 flat angles P-C4'-P energy: -130.396 tors. eta vs tors. theta energy: -200.303 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: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2545.745485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.745485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.745485 (E_RNA) where: Base-Base interactions energy: -1653.320 where: short stacking energy: -747.395 Base-Backbone interact. energy: -3.543 local terms energy: -888.882722 where: bonds (distance) C4'-P energy: -160.306 bonds (distance) P-C4' energy: -179.085 flat angles C4'-P-C4' energy: -215.165 flat angles P-C4'-P energy: -115.968 tors. eta vs tors. theta energy: -218.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2070.690308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.690308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.690308 (E_RNA) where: Base-Base interactions energy: -1264.925 where: short stacking energy: -679.146 Base-Backbone interact. energy: -0.254 local terms energy: -805.510494 where: bonds (distance) C4'-P energy: -164.701 bonds (distance) P-C4' energy: -167.960 flat angles C4'-P-C4' energy: -179.912 flat angles P-C4'-P energy: -123.276 tors. eta vs tors. theta energy: -169.661 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: 41 Temperature: 1.050000 Total energy: -2040.892315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.892315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.892315 (E_RNA) where: Base-Base interactions energy: -1203.520 where: short stacking energy: -644.954 Base-Backbone interact. energy: -1.910 local terms energy: -835.462540 where: bonds (distance) C4'-P energy: -175.617 bonds (distance) P-C4' energy: -179.789 flat angles C4'-P-C4' energy: -189.311 flat angles P-C4'-P energy: -127.791 tors. eta vs tors. theta energy: -162.954 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: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1969.342099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.342099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.342099 (E_RNA) where: Base-Base interactions energy: -1252.746 where: short stacking energy: -583.082 Base-Backbone interact. energy: 2.288 local terms energy: -718.883281 where: bonds (distance) C4'-P energy: -162.601 bonds (distance) P-C4' energy: -159.377 flat angles C4'-P-C4' energy: -154.579 flat angles P-C4'-P energy: -109.773 tors. eta vs tors. theta energy: -132.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1788.779854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.779854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.779854 (E_RNA) where: Base-Base interactions energy: -1095.628 where: short stacking energy: -528.342 Base-Backbone interact. energy: 0.166 local terms energy: -693.318324 where: bonds (distance) C4'-P energy: -146.393 bonds (distance) P-C4' energy: -164.041 flat angles C4'-P-C4' energy: -186.175 flat angles P-C4'-P energy: -85.114 tors. eta vs tors. theta energy: -111.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1537.116696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.116696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.116696 (E_RNA) where: Base-Base interactions energy: -898.235 where: short stacking energy: -441.628 Base-Backbone interact. energy: -2.765 local terms energy: -636.116602 where: bonds (distance) C4'-P energy: -149.540 bonds (distance) P-C4' energy: -161.801 flat angles C4'-P-C4' energy: -152.711 flat angles P-C4'-P energy: -95.771 tors. eta vs tors. theta energy: -76.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1324.258106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.258106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.258106 (E_RNA) where: Base-Base interactions energy: -735.328 where: short stacking energy: -354.554 Base-Backbone interact. energy: -0.433 local terms energy: -588.497027 where: bonds (distance) C4'-P energy: -129.786 bonds (distance) P-C4' energy: -164.815 flat angles C4'-P-C4' energy: -163.573 flat angles P-C4'-P energy: -96.658 tors. eta vs tors. theta energy: -33.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1006.865676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.865676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.865676 (E_RNA) where: Base-Base interactions energy: -474.381 where: short stacking energy: -233.593 Base-Backbone interact. energy: 6.589 local terms energy: -539.074031 where: bonds (distance) C4'-P energy: -163.735 bonds (distance) P-C4' energy: -157.604 flat angles C4'-P-C4' energy: -119.826 flat angles P-C4'-P energy: -99.344 tors. eta vs tors. theta energy: 1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -726.946526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.946526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.946526 (E_RNA) where: Base-Base interactions energy: -270.450 where: short stacking energy: -199.284 Base-Backbone interact. energy: -1.324 local terms energy: -455.173157 where: bonds (distance) C4'-P energy: -154.087 bonds (distance) P-C4' energy: -145.217 flat angles C4'-P-C4' energy: -126.552 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: 44.585 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: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2644.449812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.449812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.449812 (E_RNA) where: Base-Base interactions energy: -1723.046 where: short stacking energy: -796.222 Base-Backbone interact. energy: -4.407 local terms energy: -916.996922 where: bonds (distance) C4'-P energy: -182.428 bonds (distance) P-C4' energy: -171.320 flat angles C4'-P-C4' energy: -209.307 flat angles P-C4'-P energy: -138.305 tors. eta vs tors. theta energy: -215.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2563.588086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.588086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.588086 (E_RNA) where: Base-Base interactions energy: -1633.884 where: short stacking energy: -740.713 Base-Backbone interact. energy: -8.150 local terms energy: -921.553947 where: bonds (distance) C4'-P energy: -205.448 bonds (distance) P-C4' energy: -198.585 flat angles C4'-P-C4' energy: -195.995 flat angles P-C4'-P energy: -116.771 tors. eta vs tors. theta energy: -204.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2176.648869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.648869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.648869 (E_RNA) where: Base-Base interactions energy: -1347.804 where: short stacking energy: -697.237 Base-Backbone interact. energy: -1.294 local terms energy: -827.550222 where: bonds (distance) C4'-P energy: -182.079 bonds (distance) P-C4' energy: -147.532 flat angles C4'-P-C4' energy: -191.783 flat angles P-C4'-P energy: -111.542 tors. eta vs tors. theta energy: -194.614 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: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2015.576739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.576739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.576739 (E_RNA) where: Base-Base interactions energy: -1245.048 where: short stacking energy: -627.166 Base-Backbone interact. energy: 2.423 local terms energy: -772.952081 where: bonds (distance) C4'-P energy: -163.759 bonds (distance) P-C4' energy: -155.465 flat angles C4'-P-C4' energy: -178.526 flat angles P-C4'-P energy: -112.516 tors. eta vs tors. theta energy: -162.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1962.088769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.088769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.088769 (E_RNA) where: Base-Base interactions energy: -1237.473 where: short stacking energy: -598.061 Base-Backbone interact. energy: -1.766 local terms energy: -722.850075 where: bonds (distance) C4'-P energy: -157.768 bonds (distance) P-C4' energy: -165.531 flat angles C4'-P-C4' energy: -154.220 flat angles P-C4'-P energy: -96.431 tors. eta vs tors. theta energy: -148.899 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: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1818.859631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.859631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.859631 (E_RNA) where: Base-Base interactions energy: -1105.133 where: short stacking energy: -552.277 Base-Backbone interact. energy: -3.986 local terms energy: -709.740458 where: bonds (distance) C4'-P energy: -153.081 bonds (distance) P-C4' energy: -168.528 flat angles C4'-P-C4' energy: -168.001 flat angles P-C4'-P energy: -103.683 tors. eta vs tors. theta energy: -116.448 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: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1525.693445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.693445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.693445 (E_RNA) where: Base-Base interactions energy: -907.257 where: short stacking energy: -447.849 Base-Backbone interact. energy: 6.137 local terms energy: -624.573171 where: bonds (distance) C4'-P energy: -156.051 bonds (distance) P-C4' energy: -161.047 flat angles C4'-P-C4' energy: -148.428 flat angles P-C4'-P energy: -82.115 tors. eta vs tors. theta energy: -76.932 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: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1294.820599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.820599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.820599 (E_RNA) where: Base-Base interactions energy: -736.778 where: short stacking energy: -389.124 Base-Backbone interact. energy: -2.241 local terms energy: -555.801137 where: bonds (distance) C4'-P energy: -139.219 bonds (distance) P-C4' energy: -147.658 flat angles C4'-P-C4' energy: -146.557 flat angles P-C4'-P energy: -89.117 tors. eta vs tors. theta energy: -33.251 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: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1004.088190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.088190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.088190 (E_RNA) where: Base-Base interactions energy: -507.500 where: short stacking energy: -282.478 Base-Backbone interact. energy: 13.768 local terms energy: -510.356173 where: bonds (distance) C4'-P energy: -122.533 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -132.941 flat angles P-C4'-P energy: -80.970 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -679.063633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.063633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.063633 (E_RNA) where: Base-Base interactions energy: -272.521 where: short stacking energy: -167.675 Base-Backbone interact. energy: 2.822 local terms energy: -409.364984 where: bonds (distance) C4'-P energy: -130.549 bonds (distance) P-C4' energy: -148.959 flat angles C4'-P-C4' energy: -109.332 flat angles P-C4'-P energy: -82.517 tors. eta vs tors. theta energy: 61.991 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: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2584.086567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.086567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.086567 (E_RNA) where: Base-Base interactions energy: -1671.254 where: short stacking energy: -794.334 Base-Backbone interact. energy: -3.691 local terms energy: -909.141329 where: bonds (distance) C4'-P energy: -184.974 bonds (distance) P-C4' energy: -175.747 flat angles C4'-P-C4' energy: -198.608 flat angles P-C4'-P energy: -129.187 tors. eta vs tors. theta energy: -220.625 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: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2500.497613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.497613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.497613 (E_RNA) where: Base-Base interactions energy: -1660.876 where: short stacking energy: -757.081 Base-Backbone interact. energy: -2.717 local terms energy: -836.904064 where: bonds (distance) C4'-P energy: -181.361 bonds (distance) P-C4' energy: -171.732 flat angles C4'-P-C4' energy: -166.929 flat angles P-C4'-P energy: -111.428 tors. eta vs tors. theta energy: -205.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2124.584362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.584362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.584362 (E_RNA) where: Base-Base interactions energy: -1290.272 where: short stacking energy: -667.188 Base-Backbone interact. energy: 2.128 local terms energy: -836.439725 where: bonds (distance) C4'-P energy: -175.833 bonds (distance) P-C4' energy: -177.755 flat angles C4'-P-C4' energy: -184.665 flat angles P-C4'-P energy: -112.991 tors. eta vs tors. theta energy: -185.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2069.288039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.288039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.288039 (E_RNA) where: Base-Base interactions energy: -1287.998 where: short stacking energy: -593.474 Base-Backbone interact. energy: -2.990 local terms energy: -778.300120 where: bonds (distance) C4'-P energy: -163.180 bonds (distance) P-C4' energy: -187.026 flat angles C4'-P-C4' energy: -182.924 flat angles P-C4'-P energy: -112.186 tors. eta vs tors. theta energy: -132.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1812.761459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.761459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.761459 (E_RNA) where: Base-Base interactions energy: -1062.858 where: short stacking energy: -523.320 Base-Backbone interact. energy: -3.373 local terms energy: -746.530172 where: bonds (distance) C4'-P energy: -150.403 bonds (distance) P-C4' energy: -175.114 flat angles C4'-P-C4' energy: -185.374 flat angles P-C4'-P energy: -108.250 tors. eta vs tors. theta energy: -127.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1779.412900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.412900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.412900 (E_RNA) where: Base-Base interactions energy: -1108.236 where: short stacking energy: -533.258 Base-Backbone interact. energy: 5.971 local terms energy: -677.147697 where: bonds (distance) C4'-P energy: -160.008 bonds (distance) P-C4' energy: -144.142 flat angles C4'-P-C4' energy: -143.540 flat angles P-C4'-P energy: -120.334 tors. eta vs tors. theta energy: -109.125 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: 43 Temperature: 1.200000 Total energy: -1541.472476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.472476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.472476 (E_RNA) where: Base-Base interactions energy: -883.140 where: short stacking energy: -465.214 Base-Backbone interact. energy: -2.049 local terms energy: -656.283924 where: bonds (distance) C4'-P energy: -154.848 bonds (distance) P-C4' energy: -165.035 flat angles C4'-P-C4' energy: -159.849 flat angles P-C4'-P energy: -103.020 tors. eta vs tors. theta energy: -73.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1208.387476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.387476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.387476 (E_RNA) where: Base-Base interactions energy: -641.395 where: short stacking energy: -335.590 Base-Backbone interact. energy: 2.420 local terms energy: -569.412509 where: bonds (distance) C4'-P energy: -150.937 bonds (distance) P-C4' energy: -157.552 flat angles C4'-P-C4' energy: -150.837 flat angles P-C4'-P energy: -80.588 tors. eta vs tors. theta energy: -29.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -988.481709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.481709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.481709 (E_RNA) where: Base-Base interactions energy: -495.909 where: short stacking energy: -274.205 Base-Backbone interact. energy: 1.177 local terms energy: -493.749365 where: bonds (distance) C4'-P energy: -148.538 bonds (distance) P-C4' energy: -160.833 flat angles C4'-P-C4' energy: -118.177 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: 12.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -667.301493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.301493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.301493 (E_RNA) where: Base-Base interactions energy: -216.836 where: short stacking energy: -147.691 Base-Backbone interact. energy: 7.256 local terms energy: -457.722107 where: bonds (distance) C4'-P energy: -150.640 bonds (distance) P-C4' energy: -150.978 flat angles C4'-P-C4' energy: -122.595 flat angles P-C4'-P energy: -78.013 tors. eta vs tors. theta energy: 44.505 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: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2578.057307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.057307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.057307 (E_RNA) where: Base-Base interactions energy: -1667.451 where: short stacking energy: -765.133 Base-Backbone interact. energy: -1.369 local terms energy: -909.236911 where: bonds (distance) C4'-P energy: -173.773 bonds (distance) P-C4' energy: -190.482 flat angles C4'-P-C4' energy: -215.283 flat angles P-C4'-P energy: -119.120 tors. eta vs tors. theta energy: -210.579 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: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2532.398684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.398684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.398684 (E_RNA) where: Base-Base interactions energy: -1647.457 where: short stacking energy: -771.780 Base-Backbone interact. energy: -2.925 local terms energy: -882.016123 where: bonds (distance) C4'-P energy: -173.516 bonds (distance) P-C4' energy: -169.022 flat angles C4'-P-C4' energy: -195.243 flat angles P-C4'-P energy: -123.278 tors. eta vs tors. theta energy: -220.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2191.053671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.053671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.053671 (E_RNA) where: Base-Base interactions energy: -1340.396 where: short stacking energy: -649.373 Base-Backbone interact. energy: 0.641 local terms energy: -851.298932 where: bonds (distance) C4'-P energy: -183.362 bonds (distance) P-C4' energy: -180.295 flat angles C4'-P-C4' energy: -194.567 flat angles P-C4'-P energy: -109.480 tors. eta vs tors. theta energy: -183.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2140.401108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.401108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.401108 (E_RNA) where: Base-Base interactions energy: -1368.205 where: short stacking energy: -621.449 Base-Backbone interact. energy: 0.988 local terms energy: -773.183211 where: bonds (distance) C4'-P energy: -182.518 bonds (distance) P-C4' energy: -160.772 flat angles C4'-P-C4' energy: -174.680 flat angles P-C4'-P energy: -99.542 tors. eta vs tors. theta energy: -155.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1782.886257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.886257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.886257 (E_RNA) where: Base-Base interactions energy: -1068.393 where: short stacking energy: -527.231 Base-Backbone interact. energy: -1.489 local terms energy: -713.004136 where: bonds (distance) C4'-P energy: -163.554 bonds (distance) P-C4' energy: -156.553 flat angles C4'-P-C4' energy: -171.904 flat angles P-C4'-P energy: -101.140 tors. eta vs tors. theta energy: -119.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1699.362481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.362481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.362481 (E_RNA) where: Base-Base interactions energy: -1033.384 where: short stacking energy: -509.283 Base-Backbone interact. energy: 0.079 local terms energy: -666.056795 where: bonds (distance) C4'-P energy: -159.558 bonds (distance) P-C4' energy: -154.865 flat angles C4'-P-C4' energy: -155.877 flat angles P-C4'-P energy: -104.037 tors. eta vs tors. theta energy: -91.721 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: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1390.378211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.378211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.378211 (E_RNA) where: Base-Base interactions energy: -779.355 where: short stacking energy: -383.540 Base-Backbone interact. energy: -3.391 local terms energy: -607.632851 where: bonds (distance) C4'-P energy: -146.669 bonds (distance) P-C4' energy: -157.102 flat angles C4'-P-C4' energy: -173.797 flat angles P-C4'-P energy: -88.062 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: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1222.432954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.432954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.432954 (E_RNA) where: Base-Base interactions energy: -701.126 where: short stacking energy: -346.894 Base-Backbone interact. energy: 1.623 local terms energy: -522.930378 where: bonds (distance) C4'-P energy: -133.271 bonds (distance) P-C4' energy: -180.522 flat angles C4'-P-C4' energy: -107.235 flat angles P-C4'-P energy: -80.540 tors. eta vs tors. theta energy: -21.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -954.129484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.129484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.129484 (E_RNA) where: Base-Base interactions energy: -455.498 where: short stacking energy: -284.715 Base-Backbone interact. energy: 4.617 local terms energy: -503.248653 where: bonds (distance) C4'-P energy: -164.197 bonds (distance) P-C4' energy: -154.350 flat angles C4'-P-C4' energy: -121.033 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: 3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -695.789322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.789322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.789322 (E_RNA) where: Base-Base interactions energy: -283.157 where: short stacking energy: -197.247 Base-Backbone interact. energy: 6.828 local terms energy: -419.460012 where: bonds (distance) C4'-P energy: -135.809 bonds (distance) P-C4' energy: -166.269 flat angles C4'-P-C4' energy: -126.028 flat angles P-C4'-P energy: -41.614 tors. eta vs tors. theta energy: 50.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2566.139459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.139459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.139459 (E_RNA) where: Base-Base interactions energy: -1693.623 where: short stacking energy: -781.092 Base-Backbone interact. energy: -5.090 local terms energy: -867.426293 where: bonds (distance) C4'-P energy: -186.863 bonds (distance) P-C4' energy: -180.334 flat angles C4'-P-C4' energy: -182.071 flat angles P-C4'-P energy: -111.128 tors. eta vs tors. theta energy: -207.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2546.708312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.708312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.708312 (E_RNA) where: Base-Base interactions energy: -1666.639 where: short stacking energy: -769.545 Base-Backbone interact. energy: -3.870 local terms energy: -876.198904 where: bonds (distance) C4'-P energy: -171.277 bonds (distance) P-C4' energy: -175.233 flat angles C4'-P-C4' energy: -195.648 flat angles P-C4'-P energy: -120.461 tors. eta vs tors. theta energy: -213.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2198.173911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.173911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.173911 (E_RNA) where: Base-Base interactions energy: -1374.215 where: short stacking energy: -645.591 Base-Backbone interact. energy: -0.164 local terms energy: -823.794271 where: bonds (distance) C4'-P energy: -171.636 bonds (distance) P-C4' energy: -181.636 flat angles C4'-P-C4' energy: -178.369 flat angles P-C4'-P energy: -120.267 tors. eta vs tors. theta energy: -171.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2080.147736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.147736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.147736 (E_RNA) where: Base-Base interactions energy: -1320.583 where: short stacking energy: -637.456 Base-Backbone interact. energy: -1.942 local terms energy: -757.622844 where: bonds (distance) C4'-P energy: -171.668 bonds (distance) P-C4' energy: -181.684 flat angles C4'-P-C4' energy: -187.411 flat angles P-C4'-P energy: -84.931 tors. eta vs tors. theta energy: -131.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1875.653122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.653122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.653122 (E_RNA) where: Base-Base interactions energy: -1133.600 where: short stacking energy: -565.583 Base-Backbone interact. energy: -3.986 local terms energy: -738.067334 where: bonds (distance) C4'-P energy: -161.438 bonds (distance) P-C4' energy: -154.848 flat angles C4'-P-C4' energy: -169.568 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -142.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1722.633704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.633704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.633704 (E_RNA) where: Base-Base interactions energy: -1060.162 where: short stacking energy: -513.832 Base-Backbone interact. energy: -3.183 local terms energy: -659.288063 where: bonds (distance) C4'-P energy: -146.770 bonds (distance) P-C4' energy: -178.867 flat angles C4'-P-C4' energy: -146.147 flat angles P-C4'-P energy: -80.875 tors. eta vs tors. theta energy: -106.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1358.643786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.643786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.643786 (E_RNA) where: Base-Base interactions energy: -724.340 where: short stacking energy: -403.483 Base-Backbone interact. energy: -1.743 local terms energy: -632.561010 where: bonds (distance) C4'-P energy: -150.308 bonds (distance) P-C4' energy: -162.252 flat angles C4'-P-C4' energy: -162.084 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -70.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1199.574177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.574177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.574177 (E_RNA) where: Base-Base interactions energy: -639.466 where: short stacking energy: -317.264 Base-Backbone interact. energy: 3.738 local terms energy: -563.845888 where: bonds (distance) C4'-P energy: -139.468 bonds (distance) P-C4' energy: -151.165 flat angles C4'-P-C4' energy: -150.552 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -37.539 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: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -916.830495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.830495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.830495 (E_RNA) where: Base-Base interactions energy: -429.273 where: short stacking energy: -226.695 Base-Backbone interact. energy: 4.522 local terms energy: -492.079758 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -162.842 flat angles C4'-P-C4' energy: -139.928 flat angles P-C4'-P energy: -80.356 tors. eta vs tors. theta energy: 25.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -722.357150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.357150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.357150 (E_RNA) where: Base-Base interactions energy: -284.649 where: short stacking energy: -175.526 Base-Backbone interact. energy: 0.498 local terms energy: -438.205803 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -138.765 flat angles C4'-P-C4' energy: -120.620 flat angles P-C4'-P energy: -70.092 tors. eta vs tors. theta energy: 29.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2628.103362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.103362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.103362 (E_RNA) where: Base-Base interactions energy: -1730.312 where: short stacking energy: -787.861 Base-Backbone interact. energy: -1.925 local terms energy: -895.866479 where: bonds (distance) C4'-P energy: -186.572 bonds (distance) P-C4' energy: -176.464 flat angles C4'-P-C4' energy: -196.400 flat angles P-C4'-P energy: -108.813 tors. eta vs tors. theta energy: -227.619 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: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2555.746064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.746064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.746064 (E_RNA) where: Base-Base interactions energy: -1689.371 where: short stacking energy: -768.685 Base-Backbone interact. energy: -2.803 local terms energy: -863.571966 where: bonds (distance) C4'-P energy: -189.419 bonds (distance) P-C4' energy: -169.538 flat angles C4'-P-C4' energy: -192.054 flat angles P-C4'-P energy: -105.352 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: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2141.868999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.868999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.868999 (E_RNA) where: Base-Base interactions energy: -1287.325 where: short stacking energy: -624.914 Base-Backbone interact. energy: -1.260 local terms energy: -853.284235 where: bonds (distance) C4'-P energy: -183.484 bonds (distance) P-C4' energy: -182.427 flat angles C4'-P-C4' energy: -197.591 flat angles P-C4'-P energy: -118.168 tors. eta vs tors. theta energy: -171.614 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2127.887853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.887853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.887853 (E_RNA) where: Base-Base interactions energy: -1334.154 where: short stacking energy: -658.712 Base-Backbone interact. energy: 1.214 local terms energy: -794.948299 where: bonds (distance) C4'-P energy: -152.366 bonds (distance) P-C4' energy: -174.896 flat angles C4'-P-C4' energy: -163.477 flat angles P-C4'-P energy: -113.933 tors. eta vs tors. theta energy: -190.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1827.124639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.124639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.124639 (E_RNA) where: Base-Base interactions energy: -1109.207 where: short stacking energy: -545.772 Base-Backbone interact. energy: 2.479 local terms energy: -720.396884 where: bonds (distance) C4'-P energy: -161.429 bonds (distance) P-C4' energy: -153.484 flat angles C4'-P-C4' energy: -173.846 flat angles P-C4'-P energy: -109.985 tors. eta vs tors. theta energy: -121.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1794.523856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.523856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.523856 (E_RNA) where: Base-Base interactions energy: -1081.055 where: short stacking energy: -532.394 Base-Backbone interact. energy: -4.030 local terms energy: -709.438709 where: bonds (distance) C4'-P energy: -167.830 bonds (distance) P-C4' energy: -151.712 flat angles C4'-P-C4' energy: -162.737 flat angles P-C4'-P energy: -99.397 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: 46 Temperature: 1.200000 Total energy: -1329.827714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.827714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.827714 (E_RNA) where: Base-Base interactions energy: -707.192 where: short stacking energy: -385.568 Base-Backbone interact. energy: 2.287 local terms energy: -624.922837 where: bonds (distance) C4'-P energy: -162.245 bonds (distance) P-C4' energy: -163.721 flat angles C4'-P-C4' energy: -135.776 flat angles P-C4'-P energy: -98.719 tors. eta vs tors. theta energy: -64.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1274.960943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.960943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.960943 (E_RNA) where: Base-Base interactions energy: -727.544 where: short stacking energy: -369.752 Base-Backbone interact. energy: 0.777 local terms energy: -548.194163 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -150.671 flat angles C4'-P-C4' energy: -146.862 flat angles P-C4'-P energy: -86.964 tors. eta vs tors. theta energy: -26.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -907.805479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.805479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.805479 (E_RNA) where: Base-Base interactions energy: -411.098 where: short stacking energy: -257.057 Base-Backbone interact. energy: 0.283 local terms energy: -496.991265 where: bonds (distance) C4'-P energy: -148.659 bonds (distance) P-C4' energy: -152.168 flat angles C4'-P-C4' energy: -118.405 flat angles P-C4'-P energy: -75.670 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -769.101176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.101176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.101176 (E_RNA) where: Base-Base interactions energy: -287.492 where: short stacking energy: -198.029 Base-Backbone interact. energy: 3.282 local terms energy: -484.890514 where: bonds (distance) C4'-P energy: -145.520 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -120.791 flat angles P-C4'-P energy: -80.500 tors. eta vs tors. theta energy: 16.945 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: 1, replica: 6 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2651.101157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.101157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.101157 (E_RNA) where: Base-Base interactions energy: -1703.506 where: short stacking energy: -776.514 Base-Backbone interact. energy: -7.279 local terms energy: -940.315280 where: bonds (distance) C4'-P energy: -186.982 bonds (distance) P-C4' energy: -192.111 flat angles C4'-P-C4' energy: -207.540 flat angles P-C4'-P energy: -136.479 tors. eta vs tors. theta energy: -217.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2590.488795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.488795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.488795 (E_RNA) where: Base-Base interactions energy: -1703.868 where: short stacking energy: -767.638 Base-Backbone interact. energy: -5.222 local terms energy: -881.398817 where: bonds (distance) C4'-P energy: -182.717 bonds (distance) P-C4' energy: -174.106 flat angles C4'-P-C4' energy: -201.052 flat angles P-C4'-P energy: -126.345 tors. eta vs tors. theta energy: -197.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2177.441261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.441261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.441261 (E_RNA) where: Base-Base interactions energy: -1333.278 where: short stacking energy: -685.780 Base-Backbone interact. energy: -4.645 local terms energy: -839.518907 where: bonds (distance) C4'-P energy: -177.993 bonds (distance) P-C4' energy: -175.030 flat angles C4'-P-C4' energy: -188.638 flat angles P-C4'-P energy: -118.298 tors. eta vs tors. theta energy: -179.560 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: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2168.528434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.528434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.528434 (E_RNA) where: Base-Base interactions energy: -1367.676 where: short stacking energy: -648.700 Base-Backbone interact. energy: 1.661 local terms energy: -802.513354 where: bonds (distance) C4'-P energy: -150.226 bonds (distance) P-C4' energy: -182.929 flat angles C4'-P-C4' energy: -180.700 flat angles P-C4'-P energy: -109.939 tors. eta vs tors. theta energy: -178.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1906.386270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.386270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.386270 (E_RNA) where: Base-Base interactions energy: -1168.953 where: short stacking energy: -556.514 Base-Backbone interact. energy: 0.146 local terms energy: -737.579325 where: bonds (distance) C4'-P energy: -144.798 bonds (distance) P-C4' energy: -157.067 flat angles C4'-P-C4' energy: -178.649 flat angles P-C4'-P energy: -113.870 tors. eta vs tors. theta energy: -143.196 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: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1709.201742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.201742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.201742 (E_RNA) where: Base-Base interactions energy: -1039.320 where: short stacking energy: -510.596 Base-Backbone interact. energy: 2.495 local terms energy: -672.376422 where: bonds (distance) C4'-P energy: -136.278 bonds (distance) P-C4' energy: -154.044 flat angles C4'-P-C4' energy: -164.432 flat angles P-C4'-P energy: -115.772 tors. eta vs tors. theta energy: -101.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1355.395070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.395070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.395070 (E_RNA) where: Base-Base interactions energy: -745.819 where: short stacking energy: -382.427 Base-Backbone interact. energy: -0.043 local terms energy: -609.532730 where: bonds (distance) C4'-P energy: -149.885 bonds (distance) P-C4' energy: -155.475 flat angles C4'-P-C4' energy: -148.508 flat angles P-C4'-P energy: -103.776 tors. eta vs tors. theta energy: -51.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1311.439920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.439920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.439920 (E_RNA) where: Base-Base interactions energy: -705.734 where: short stacking energy: -354.955 Base-Backbone interact. energy: 1.403 local terms energy: -607.108924 where: bonds (distance) C4'-P energy: -173.269 bonds (distance) P-C4' energy: -145.175 flat angles C4'-P-C4' energy: -145.772 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -39.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1066.201274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.201274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.201274 (E_RNA) where: Base-Base interactions energy: -558.049 where: short stacking energy: -309.210 Base-Backbone interact. energy: 2.696 local terms energy: -510.847659 where: bonds (distance) C4'-P energy: -124.891 bonds (distance) P-C4' energy: -138.092 flat angles C4'-P-C4' energy: -133.186 flat angles P-C4'-P energy: -80.706 tors. eta vs tors. theta energy: -33.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -744.255750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.255750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.255750 (E_RNA) where: Base-Base interactions energy: -281.507 where: short stacking energy: -164.101 Base-Backbone interact. energy: -0.598 local terms energy: -462.150517 where: bonds (distance) C4'-P energy: -152.412 bonds (distance) P-C4' energy: -165.385 flat angles C4'-P-C4' energy: -111.228 flat angles P-C4'-P energy: -67.844 tors. eta vs tors. theta energy: 34.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2635.934999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.934999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.934999 (E_RNA) where: Base-Base interactions energy: -1691.103 where: short stacking energy: -815.948 Base-Backbone interact. energy: 3.944 local terms energy: -948.776234 where: bonds (distance) C4'-P energy: -186.589 bonds (distance) P-C4' energy: -198.803 flat angles C4'-P-C4' energy: -203.392 flat angles P-C4'-P energy: -127.727 tors. eta vs tors. theta energy: -232.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2601.904959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.904959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.904959 (E_RNA) where: Base-Base interactions energy: -1727.655 where: short stacking energy: -761.042 Base-Backbone interact. energy: -7.216 local terms energy: -867.033950 where: bonds (distance) C4'-P energy: -169.890 bonds (distance) P-C4' energy: -189.412 flat angles C4'-P-C4' energy: -201.260 flat angles P-C4'-P energy: -108.812 tors. eta vs tors. theta energy: -197.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2202.467046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.467046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.467046 (E_RNA) where: Base-Base interactions energy: -1378.445 where: short stacking energy: -657.408 Base-Backbone interact. energy: -0.365 local terms energy: -823.656991 where: bonds (distance) C4'-P energy: -166.656 bonds (distance) P-C4' energy: -180.051 flat angles C4'-P-C4' energy: -187.798 flat angles P-C4'-P energy: -126.307 tors. eta vs tors. theta energy: -162.846 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: 48 Temperature: 1.050000 Total energy: -2121.171170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.171170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.171170 (E_RNA) where: Base-Base interactions energy: -1304.980 where: short stacking energy: -605.970 Base-Backbone interact. energy: -2.610 local terms energy: -813.581652 where: bonds (distance) C4'-P energy: -172.090 bonds (distance) P-C4' energy: -182.324 flat angles C4'-P-C4' energy: -191.748 flat angles P-C4'-P energy: -107.588 tors. eta vs tors. theta energy: -159.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1928.969408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.969408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.969408 (E_RNA) where: Base-Base interactions energy: -1184.573 where: short stacking energy: -584.911 Base-Backbone interact. energy: 4.565 local terms energy: -748.961398 where: bonds (distance) C4'-P energy: -169.589 bonds (distance) P-C4' energy: -174.076 flat angles C4'-P-C4' energy: -175.267 flat angles P-C4'-P energy: -100.989 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: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1771.114053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.114053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.114053 (E_RNA) where: Base-Base interactions energy: -1082.477 where: short stacking energy: -537.026 Base-Backbone interact. energy: 5.390 local terms energy: -694.026806 where: bonds (distance) C4'-P energy: -159.766 bonds (distance) P-C4' energy: -167.872 flat angles C4'-P-C4' energy: -156.902 flat angles P-C4'-P energy: -97.330 tors. eta vs tors. theta energy: -112.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1448.070417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.070417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.070417 (E_RNA) where: Base-Base interactions energy: -791.125 where: short stacking energy: -429.157 Base-Backbone interact. energy: 4.121 local terms energy: -661.066613 where: bonds (distance) C4'-P energy: -146.268 bonds (distance) P-C4' energy: -166.004 flat angles C4'-P-C4' energy: -157.654 flat angles P-C4'-P energy: -118.626 tors. eta vs tors. theta energy: -72.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1217.060319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.060319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.060319 (E_RNA) where: Base-Base interactions energy: -638.508 where: short stacking energy: -339.334 Base-Backbone interact. energy: 0.642 local terms energy: -579.194515 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -166.148 flat angles C4'-P-C4' energy: -151.763 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -45.513 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: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1051.234631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.234631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.234631 (E_RNA) where: Base-Base interactions energy: -525.351 where: short stacking energy: -260.873 Base-Backbone interact. energy: 5.536 local terms energy: -531.420435 where: bonds (distance) C4'-P energy: -141.743 bonds (distance) P-C4' energy: -160.360 flat angles C4'-P-C4' energy: -138.778 flat angles P-C4'-P energy: -83.043 tors. eta vs tors. theta energy: -7.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -728.376664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.376664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.376664 (E_RNA) where: Base-Base interactions energy: -290.294 where: short stacking energy: -192.452 Base-Backbone interact. energy: -0.659 local terms energy: -437.423356 where: bonds (distance) C4'-P energy: -137.749 bonds (distance) P-C4' energy: -133.153 flat angles C4'-P-C4' energy: -123.277 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: 37.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2596.288403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.288403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.288403 (E_RNA) where: Base-Base interactions energy: -1719.644 where: short stacking energy: -783.330 Base-Backbone interact. energy: -2.823 local terms energy: -873.821622 where: bonds (distance) C4'-P energy: -179.163 bonds (distance) P-C4' energy: -165.972 flat angles C4'-P-C4' energy: -199.733 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -220.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2604.109373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.109373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.109373 (E_RNA) where: Base-Base interactions energy: -1720.477 where: short stacking energy: -771.457 Base-Backbone interact. energy: -2.157 local terms energy: -881.475903 where: bonds (distance) C4'-P energy: -183.491 bonds (distance) P-C4' energy: -179.269 flat angles C4'-P-C4' energy: -194.329 flat angles P-C4'-P energy: -125.452 tors. eta vs tors. theta energy: -198.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2203.837580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.837580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.837580 (E_RNA) where: Base-Base interactions energy: -1374.961 where: short stacking energy: -653.365 Base-Backbone interact. energy: 1.496 local terms energy: -830.371898 where: bonds (distance) C4'-P energy: -180.718 bonds (distance) P-C4' energy: -172.242 flat angles C4'-P-C4' energy: -185.841 flat angles P-C4'-P energy: -119.700 tors. eta vs tors. theta energy: -171.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2130.996491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.996491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.996491 (E_RNA) where: Base-Base interactions energy: -1347.437 where: short stacking energy: -682.939 Base-Backbone interact. energy: -0.681 local terms energy: -782.878006 where: bonds (distance) C4'-P energy: -151.627 bonds (distance) P-C4' energy: -148.257 flat angles C4'-P-C4' energy: -196.324 flat angles P-C4'-P energy: -101.275 tors. eta vs tors. theta energy: -185.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2055.337122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.337122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.337122 (E_RNA) where: Base-Base interactions energy: -1330.497 where: short stacking energy: -622.379 Base-Backbone interact. energy: 0.322 local terms energy: -725.161731 where: bonds (distance) C4'-P energy: -148.728 bonds (distance) P-C4' energy: -159.179 flat angles C4'-P-C4' energy: -155.125 flat angles P-C4'-P energy: -107.167 tors. eta vs tors. theta energy: -154.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1790.806269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.806269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.806269 (E_RNA) where: Base-Base interactions energy: -1088.471 where: short stacking energy: -502.667 Base-Backbone interact. energy: -2.180 local terms energy: -700.155545 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -166.996 flat angles C4'-P-C4' energy: -166.837 flat angles P-C4'-P energy: -105.886 tors. eta vs tors. theta energy: -110.626 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: 49 Temperature: 1.200000 Total energy: -1493.839664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.839664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.839664 (E_RNA) where: Base-Base interactions energy: -859.331 where: short stacking energy: -423.884 Base-Backbone interact. energy: -4.529 local terms energy: -629.979349 where: bonds (distance) C4'-P energy: -138.231 bonds (distance) P-C4' energy: -174.355 flat angles C4'-P-C4' energy: -157.714 flat angles P-C4'-P energy: -105.159 tors. eta vs tors. theta energy: -54.521 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: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1159.048859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.048859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.048859 (E_RNA) where: Base-Base interactions energy: -600.489 where: short stacking energy: -317.840 Base-Backbone interact. energy: -2.002 local terms energy: -556.558000 where: bonds (distance) C4'-P energy: -138.357 bonds (distance) P-C4' energy: -156.679 flat angles C4'-P-C4' energy: -141.422 flat angles P-C4'-P energy: -93.734 tors. eta vs tors. theta energy: -26.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1080.664300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.664300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.664300 (E_RNA) where: Base-Base interactions energy: -544.159 where: short stacking energy: -346.410 Base-Backbone interact. energy: -4.178 local terms energy: -532.327787 where: bonds (distance) C4'-P energy: -141.433 bonds (distance) P-C4' energy: -136.351 flat angles C4'-P-C4' energy: -140.870 flat angles P-C4'-P energy: -86.865 tors. eta vs tors. theta energy: -26.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -750.297070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.297070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.297070 (E_RNA) where: Base-Base interactions energy: -301.722 where: short stacking energy: -206.781 Base-Backbone interact. energy: 0.133 local terms energy: -448.707340 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -152.738 flat angles C4'-P-C4' energy: -133.233 flat angles P-C4'-P energy: -68.733 tors. eta vs tors. theta energy: 30.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2612.107161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.107161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.107161 (E_RNA) where: Base-Base interactions energy: -1698.460 where: short stacking energy: -793.439 Base-Backbone interact. energy: 1.812 local terms energy: -915.459302 where: bonds (distance) C4'-P energy: -195.962 bonds (distance) P-C4' energy: -177.834 flat angles C4'-P-C4' energy: -195.769 flat angles P-C4'-P energy: -128.627 tors. eta vs tors. theta energy: -217.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2563.614771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.614771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.614771 (E_RNA) where: Base-Base interactions energy: -1722.174 where: short stacking energy: -745.023 Base-Backbone interact. energy: 1.882 local terms energy: -843.322691 where: bonds (distance) C4'-P energy: -173.708 bonds (distance) P-C4' energy: -167.726 flat angles C4'-P-C4' energy: -206.166 flat angles P-C4'-P energy: -116.326 tors. eta vs tors. theta energy: -179.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2219.682279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.682279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.682279 (E_RNA) where: Base-Base interactions energy: -1408.059 where: short stacking energy: -662.903 Base-Backbone interact. energy: 2.718 local terms energy: -814.340898 where: bonds (distance) C4'-P energy: -178.649 bonds (distance) P-C4' energy: -184.976 flat angles C4'-P-C4' energy: -192.594 flat angles P-C4'-P energy: -101.363 tors. eta vs tors. theta energy: -156.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2046.013851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.013851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.013851 (E_RNA) where: Base-Base interactions energy: -1262.126 where: short stacking energy: -650.494 Base-Backbone interact. energy: -2.493 local terms energy: -781.394930 where: bonds (distance) C4'-P energy: -164.095 bonds (distance) P-C4' energy: -175.315 flat angles C4'-P-C4' energy: -174.316 flat angles P-C4'-P energy: -103.186 tors. eta vs tors. theta energy: -164.482 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: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2063.522015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.522015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.522015 (E_RNA) where: Base-Base interactions energy: -1302.540 where: short stacking energy: -624.184 Base-Backbone interact. energy: 0.789 local terms energy: -761.771516 where: bonds (distance) C4'-P energy: -153.639 bonds (distance) P-C4' energy: -160.194 flat angles C4'-P-C4' energy: -175.572 flat angles P-C4'-P energy: -112.666 tors. eta vs tors. theta energy: -159.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1829.343657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.343657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.343657 (E_RNA) where: Base-Base interactions energy: -1117.571 where: short stacking energy: -546.781 Base-Backbone interact. energy: -0.294 local terms energy: -711.479477 where: bonds (distance) C4'-P energy: -165.629 bonds (distance) P-C4' energy: -137.901 flat angles C4'-P-C4' energy: -161.495 flat angles P-C4'-P energy: -111.174 tors. eta vs tors. theta energy: -135.281 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: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1410.253034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.253034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.253034 (E_RNA) where: Base-Base interactions energy: -809.933 where: short stacking energy: -388.165 Base-Backbone interact. energy: 2.727 local terms energy: -603.046214 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -156.781 flat angles C4'-P-C4' energy: -131.364 flat angles P-C4'-P energy: -97.853 tors. eta vs tors. theta energy: -60.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1098.869385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.869385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.869385 (E_RNA) where: Base-Base interactions energy: -562.779 where: short stacking energy: -304.246 Base-Backbone interact. energy: -0.289 local terms energy: -535.801342 where: bonds (distance) C4'-P energy: -138.895 bonds (distance) P-C4' energy: -162.932 flat angles C4'-P-C4' energy: -139.693 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -17.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -997.928307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.928307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.928307 (E_RNA) where: Base-Base interactions energy: -496.977 where: short stacking energy: -242.527 Base-Backbone interact. energy: -2.764 local terms energy: -498.186852 where: bonds (distance) C4'-P energy: -141.062 bonds (distance) P-C4' energy: -143.753 flat angles C4'-P-C4' energy: -125.059 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: 5.504 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: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -729.366590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.366590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.366590 (E_RNA) where: Base-Base interactions energy: -316.071 where: short stacking energy: -195.213 Base-Backbone interact. energy: 2.831 local terms energy: -416.126191 where: bonds (distance) C4'-P energy: -126.985 bonds (distance) P-C4' energy: -144.093 flat angles C4'-P-C4' energy: -119.410 flat angles P-C4'-P energy: -70.269 tors. eta vs tors. theta energy: 44.630 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: 51 Temperature: 0.900000 Total energy: -2615.343992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.343992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.343992 (E_RNA) where: Base-Base interactions energy: -1732.762 where: short stacking energy: -789.123 Base-Backbone interact. energy: -0.403 local terms energy: -882.179530 where: bonds (distance) C4'-P energy: -167.761 bonds (distance) P-C4' energy: -179.125 flat angles C4'-P-C4' energy: -199.861 flat angles P-C4'-P energy: -128.848 tors. eta vs tors. theta energy: -206.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2578.394909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.394909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.394909 (E_RNA) where: Base-Base interactions energy: -1691.612 where: short stacking energy: -768.456 Base-Backbone interact. energy: -6.517 local terms energy: -880.265938 where: bonds (distance) C4'-P energy: -178.021 bonds (distance) P-C4' energy: -175.500 flat angles C4'-P-C4' energy: -209.156 flat angles P-C4'-P energy: -128.772 tors. eta vs tors. theta energy: -188.817 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: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2262.560544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.560544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.560544 (E_RNA) where: Base-Base interactions energy: -1437.316 where: short stacking energy: -735.578 Base-Backbone interact. energy: 0.645 local terms energy: -825.889319 where: bonds (distance) C4'-P energy: -165.348 bonds (distance) P-C4' energy: -168.424 flat angles C4'-P-C4' energy: -183.221 flat angles P-C4'-P energy: -111.948 tors. eta vs tors. theta energy: -196.949 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: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2173.549035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.549035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.549035 (E_RNA) where: Base-Base interactions energy: -1371.582 where: short stacking energy: -638.721 Base-Backbone interact. energy: -4.042 local terms energy: -797.924197 where: bonds (distance) C4'-P energy: -170.973 bonds (distance) P-C4' energy: -170.369 flat angles C4'-P-C4' energy: -184.785 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -171.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2009.479666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.479666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.479666 (E_RNA) where: Base-Base interactions energy: -1250.504 where: short stacking energy: -592.444 Base-Backbone interact. energy: -1.189 local terms energy: -757.786417 where: bonds (distance) C4'-P energy: -143.878 bonds (distance) P-C4' energy: -165.248 flat angles C4'-P-C4' energy: -186.870 flat angles P-C4'-P energy: -112.889 tors. eta vs tors. theta energy: -148.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1844.896322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.896322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.896322 (E_RNA) where: Base-Base interactions energy: -1128.032 where: short stacking energy: -541.086 Base-Backbone interact. energy: -3.941 local terms energy: -712.923926 where: bonds (distance) C4'-P energy: -153.663 bonds (distance) P-C4' energy: -177.684 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -87.069 tors. eta vs tors. theta energy: -137.963 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: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1408.820101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.820101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.820101 (E_RNA) where: Base-Base interactions energy: -822.748 where: short stacking energy: -431.582 Base-Backbone interact. energy: -2.738 local terms energy: -583.334353 where: bonds (distance) C4'-P energy: -132.363 bonds (distance) P-C4' energy: -159.739 flat angles C4'-P-C4' energy: -140.633 flat angles P-C4'-P energy: -87.219 tors. eta vs tors. theta energy: -63.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1064.413769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.413769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.413769 (E_RNA) where: Base-Base interactions energy: -541.017 where: short stacking energy: -334.769 Base-Backbone interact. energy: -3.723 local terms energy: -519.674139 where: bonds (distance) C4'-P energy: -143.290 bonds (distance) P-C4' energy: -152.792 flat angles C4'-P-C4' energy: -149.765 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: 1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -999.709045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.709045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.709045 (E_RNA) where: Base-Base interactions energy: -483.445 where: short stacking energy: -269.362 Base-Backbone interact. energy: 0.119 local terms energy: -516.383156 where: bonds (distance) C4'-P energy: -132.897 bonds (distance) P-C4' energy: -160.193 flat angles C4'-P-C4' energy: -128.122 flat angles P-C4'-P energy: -102.849 tors. eta vs tors. theta energy: 7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -683.377937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.377937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.377937 (E_RNA) where: Base-Base interactions energy: -246.912 where: short stacking energy: -168.129 Base-Backbone interact. energy: -1.454 local terms energy: -435.011755 where: bonds (distance) C4'-P energy: -150.803 bonds (distance) P-C4' energy: -142.734 flat angles C4'-P-C4' energy: -100.400 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: 39.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2633.010846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.010846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.010846 (E_RNA) where: Base-Base interactions energy: -1704.274 where: short stacking energy: -769.011 Base-Backbone interact. energy: 2.413 local terms energy: -931.149539 where: bonds (distance) C4'-P energy: -188.984 bonds (distance) P-C4' energy: -193.941 flat angles C4'-P-C4' energy: -194.741 flat angles P-C4'-P energy: -142.988 tors. eta vs tors. theta energy: -210.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2585.348461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.348461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.348461 (E_RNA) where: Base-Base interactions energy: -1714.007 where: short stacking energy: -742.062 Base-Backbone interact. energy: -3.765 local terms energy: -867.576742 where: bonds (distance) C4'-P energy: -177.999 bonds (distance) P-C4' energy: -180.198 flat angles C4'-P-C4' energy: -189.445 flat angles P-C4'-P energy: -123.960 tors. eta vs tors. theta energy: -195.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2315.176286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.176286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.176286 (E_RNA) where: Base-Base interactions energy: -1474.763 where: short stacking energy: -710.980 Base-Backbone interact. energy: -1.515 local terms energy: -838.898526 where: bonds (distance) C4'-P energy: -178.989 bonds (distance) P-C4' energy: -178.687 flat angles C4'-P-C4' energy: -186.556 flat angles P-C4'-P energy: -96.765 tors. eta vs tors. theta energy: -197.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2114.983610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.983610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.983610 (E_RNA) where: Base-Base interactions energy: -1336.576 where: short stacking energy: -629.266 Base-Backbone interact. energy: 1.472 local terms energy: -779.879453 where: bonds (distance) C4'-P energy: -162.681 bonds (distance) P-C4' energy: -181.284 flat angles C4'-P-C4' energy: -171.865 flat angles P-C4'-P energy: -114.252 tors. eta vs tors. theta energy: -149.797 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: 52 Temperature: 1.100000 Total energy: -2034.355555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.355555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.355555 (E_RNA) where: Base-Base interactions energy: -1263.408 where: short stacking energy: -604.337 Base-Backbone interact. energy: -3.928 local terms energy: -767.019730 where: bonds (distance) C4'-P energy: -166.936 bonds (distance) P-C4' energy: -163.584 flat angles C4'-P-C4' energy: -173.191 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -139.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1899.092218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.092218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.092218 (E_RNA) where: Base-Base interactions energy: -1203.456 where: short stacking energy: -601.002 Base-Backbone interact. energy: 5.760 local terms energy: -701.396271 where: bonds (distance) C4'-P energy: -135.465 bonds (distance) P-C4' energy: -160.376 flat angles C4'-P-C4' energy: -158.639 flat angles P-C4'-P energy: -103.178 tors. eta vs tors. theta energy: -143.739 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: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1475.501241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.501241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.501241 (E_RNA) where: Base-Base interactions energy: -878.461 where: short stacking energy: -412.687 Base-Backbone interact. energy: 2.204 local terms energy: -599.243997 where: bonds (distance) C4'-P energy: -140.421 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -158.165 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -55.859 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: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1035.043126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.043126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.043126 (E_RNA) where: Base-Base interactions energy: -472.221 where: short stacking energy: -278.498 Base-Backbone interact. energy: -3.226 local terms energy: -559.595382 where: bonds (distance) C4'-P energy: -162.832 bonds (distance) P-C4' energy: -158.413 flat angles C4'-P-C4' energy: -137.659 flat angles P-C4'-P energy: -77.210 tors. eta vs tors. theta energy: -23.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -978.043122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.043122 (E_RNA) where: Base-Base interactions energy: -482.104 where: short stacking energy: -257.072 Base-Backbone interact. energy: 3.188 local terms energy: -499.127641 where: bonds (distance) C4'-P energy: -146.839 bonds (distance) P-C4' energy: -151.095 flat angles C4'-P-C4' energy: -110.473 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -662.863788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.863788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.863788 (E_RNA) where: Base-Base interactions energy: -230.382 where: short stacking energy: -208.837 Base-Backbone interact. energy: 2.947 local terms energy: -435.429168 where: bonds (distance) C4'-P energy: -129.373 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -111.643 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: 10.632 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: 53 Temperature: 0.900000 Total energy: -2668.239670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.239670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.239670 (E_RNA) where: Base-Base interactions energy: -1729.645 where: short stacking energy: -797.929 Base-Backbone interact. energy: -3.038 local terms energy: -935.556485 where: bonds (distance) C4'-P energy: -187.142 bonds (distance) P-C4' energy: -191.369 flat angles C4'-P-C4' energy: -215.493 flat angles P-C4'-P energy: -122.006 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: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2632.984244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.984244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.984244 (E_RNA) where: Base-Base interactions energy: -1724.066 where: short stacking energy: -741.089 Base-Backbone interact. energy: -6.600 local terms energy: -902.318170 where: bonds (distance) C4'-P energy: -180.265 bonds (distance) P-C4' energy: -172.933 flat angles C4'-P-C4' energy: -207.830 flat angles P-C4'-P energy: -127.670 tors. eta vs tors. theta energy: -213.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2292.458653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.458653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.458653 (E_RNA) where: Base-Base interactions energy: -1428.955 where: short stacking energy: -671.146 Base-Backbone interact. energy: -3.874 local terms energy: -859.629597 where: bonds (distance) C4'-P energy: -170.275 bonds (distance) P-C4' energy: -194.005 flat angles C4'-P-C4' energy: -183.728 flat angles P-C4'-P energy: -127.399 tors. eta vs tors. theta energy: -184.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2158.885352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.885352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.885352 (E_RNA) where: Base-Base interactions energy: -1359.425 where: short stacking energy: -630.873 Base-Backbone interact. energy: -1.325 local terms energy: -798.135258 where: bonds (distance) C4'-P energy: -167.798 bonds (distance) P-C4' energy: -157.101 flat angles C4'-P-C4' energy: -178.392 flat angles P-C4'-P energy: -125.137 tors. eta vs tors. theta energy: -169.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2001.089424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.089424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.089424 (E_RNA) where: Base-Base interactions energy: -1214.855 where: short stacking energy: -603.975 Base-Backbone interact. energy: -0.381 local terms energy: -785.853015 where: bonds (distance) C4'-P energy: -175.496 bonds (distance) P-C4' energy: -163.110 flat angles C4'-P-C4' energy: -166.564 flat angles P-C4'-P energy: -125.023 tors. eta vs tors. theta energy: -155.660 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: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1899.164414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.164414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.164414 (E_RNA) where: Base-Base interactions energy: -1186.254 where: short stacking energy: -548.991 Base-Backbone interact. energy: 7.279 local terms energy: -720.189547 where: bonds (distance) C4'-P energy: -160.565 bonds (distance) P-C4' energy: -176.897 flat angles C4'-P-C4' energy: -155.153 flat angles P-C4'-P energy: -101.285 tors. eta vs tors. theta energy: -126.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1558.562125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.562125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.562125 (E_RNA) where: Base-Base interactions energy: -924.253 where: short stacking energy: -461.848 Base-Backbone interact. energy: 0.374 local terms energy: -634.682711 where: bonds (distance) C4'-P energy: -139.494 bonds (distance) P-C4' energy: -163.625 flat angles C4'-P-C4' energy: -164.773 flat angles P-C4'-P energy: -87.292 tors. eta vs tors. theta energy: -79.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1067.534881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.534881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.534881 (E_RNA) where: Base-Base interactions energy: -563.909 where: short stacking energy: -332.538 Base-Backbone interact. energy: 1.826 local terms energy: -505.452517 where: bonds (distance) C4'-P energy: -121.515 bonds (distance) P-C4' energy: -158.709 flat angles C4'-P-C4' energy: -128.200 flat angles P-C4'-P energy: -77.954 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: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -977.972744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.972744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.972744 (E_RNA) where: Base-Base interactions energy: -472.947 where: short stacking energy: -269.019 Base-Backbone interact. energy: 2.851 local terms energy: -507.876582 where: bonds (distance) C4'-P energy: -145.319 bonds (distance) P-C4' energy: -155.528 flat angles C4'-P-C4' energy: -133.195 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -666.981338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.981338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.981338 (E_RNA) where: Base-Base interactions energy: -220.472 where: short stacking energy: -173.828 Base-Backbone interact. energy: 5.001 local terms energy: -451.510443 where: bonds (distance) C4'-P energy: -165.572 bonds (distance) P-C4' energy: -141.222 flat angles C4'-P-C4' energy: -102.219 flat angles P-C4'-P energy: -80.912 tors. eta vs tors. theta energy: 38.415 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: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2687.379304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.379304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.379304 (E_RNA) where: Base-Base interactions energy: -1740.675 where: short stacking energy: -802.758 Base-Backbone interact. energy: 0.151 local terms energy: -946.855384 where: bonds (distance) C4'-P energy: -189.133 bonds (distance) P-C4' energy: -203.549 flat angles C4'-P-C4' energy: -203.543 flat angles P-C4'-P energy: -131.701 tors. eta vs tors. theta energy: -218.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2609.745545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.745545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.745545 (E_RNA) where: Base-Base interactions energy: -1738.831 where: short stacking energy: -742.305 Base-Backbone interact. energy: 0.816 local terms energy: -871.729796 where: bonds (distance) C4'-P energy: -173.159 bonds (distance) P-C4' energy: -176.684 flat angles C4'-P-C4' energy: -194.924 flat angles P-C4'-P energy: -133.758 tors. eta vs tors. theta energy: -193.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2322.871576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.871576 (E_RNA) where: Base-Base interactions energy: -1485.646 where: short stacking energy: -700.818 Base-Backbone interact. energy: -0.056 local terms energy: -837.170329 where: bonds (distance) C4'-P energy: -188.857 bonds (distance) P-C4' energy: -167.998 flat angles C4'-P-C4' energy: -182.778 flat angles P-C4'-P energy: -106.464 tors. eta vs tors. theta energy: -191.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2202.127918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.127918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.127918 (E_RNA) where: Base-Base interactions energy: -1396.990 where: short stacking energy: -630.993 Base-Backbone interact. energy: -1.273 local terms energy: -803.865477 where: bonds (distance) C4'-P energy: -165.901 bonds (distance) P-C4' energy: -167.333 flat angles C4'-P-C4' energy: -198.277 flat angles P-C4'-P energy: -116.944 tors. eta vs tors. theta energy: -155.410 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: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1967.977590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.977590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.977590 (E_RNA) where: Base-Base interactions energy: -1191.818 where: short stacking energy: -592.988 Base-Backbone interact. energy: -1.554 local terms energy: -774.605642 where: bonds (distance) C4'-P energy: -171.588 bonds (distance) P-C4' energy: -185.295 flat angles C4'-P-C4' energy: -190.057 flat angles P-C4'-P energy: -104.879 tors. eta vs tors. theta energy: -122.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1894.979637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.979637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.979637 (E_RNA) where: Base-Base interactions energy: -1181.907 where: short stacking energy: -539.041 Base-Backbone interact. energy: 1.428 local terms energy: -714.500699 where: bonds (distance) C4'-P energy: -155.312 bonds (distance) P-C4' energy: -163.638 flat angles C4'-P-C4' energy: -162.367 flat angles P-C4'-P energy: -102.105 tors. eta vs tors. theta energy: -131.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1542.772500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.772500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.772500 (E_RNA) where: Base-Base interactions energy: -873.892 where: short stacking energy: -441.377 Base-Backbone interact. energy: -1.620 local terms energy: -667.260591 where: bonds (distance) C4'-P energy: -150.664 bonds (distance) P-C4' energy: -166.717 flat angles C4'-P-C4' energy: -166.115 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -72.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -910.097412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.097412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.097412 (E_RNA) where: Base-Base interactions energy: -404.174 where: short stacking energy: -243.839 Base-Backbone interact. energy: 5.743 local terms energy: -511.667068 where: bonds (distance) C4'-P energy: -162.274 bonds (distance) P-C4' energy: -174.057 flat angles C4'-P-C4' energy: -112.276 flat angles P-C4'-P energy: -67.428 tors. eta vs tors. theta energy: 4.369 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: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -984.404153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.404153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.404153 (E_RNA) where: Base-Base interactions energy: -443.655 where: short stacking energy: -273.273 Base-Backbone interact. energy: -1.698 local terms energy: -539.051410 where: bonds (distance) C4'-P energy: -156.080 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -139.665 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: -12.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -670.081942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.081942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.081942 (E_RNA) where: Base-Base interactions energy: -267.676 where: short stacking energy: -174.863 Base-Backbone interact. energy: 6.537 local terms energy: -408.942365 where: bonds (distance) C4'-P energy: -146.282 bonds (distance) P-C4' energy: -137.487 flat angles C4'-P-C4' energy: -113.478 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: 44.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2636.997683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.997683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.997683 (E_RNA) where: Base-Base interactions energy: -1722.031 where: short stacking energy: -780.399 Base-Backbone interact. energy: -1.411 local terms energy: -913.555616 where: bonds (distance) C4'-P energy: -191.818 bonds (distance) P-C4' energy: -178.822 flat angles C4'-P-C4' energy: -208.105 flat angles P-C4'-P energy: -123.337 tors. eta vs tors. theta energy: -211.473 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: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2572.686264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.686264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.686264 (E_RNA) where: Base-Base interactions energy: -1707.583 where: short stacking energy: -769.289 Base-Backbone interact. energy: -4.480 local terms energy: -860.623442 where: bonds (distance) C4'-P energy: -162.547 bonds (distance) P-C4' energy: -194.182 flat angles C4'-P-C4' energy: -172.548 flat angles P-C4'-P energy: -122.792 tors. eta vs tors. theta energy: -208.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2361.392776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.392776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.392776 (E_RNA) where: Base-Base interactions energy: -1533.790 where: short stacking energy: -720.171 Base-Backbone interact. energy: -2.113 local terms energy: -825.489155 where: bonds (distance) C4'-P energy: -163.857 bonds (distance) P-C4' energy: -160.021 flat angles C4'-P-C4' energy: -194.686 flat angles P-C4'-P energy: -111.566 tors. eta vs tors. theta energy: -195.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2181.239836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.239836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.239836 (E_RNA) where: Base-Base interactions energy: -1401.298 where: short stacking energy: -660.540 Base-Backbone interact. energy: -2.712 local terms energy: -777.229329 where: bonds (distance) C4'-P energy: -158.571 bonds (distance) P-C4' energy: -164.604 flat angles C4'-P-C4' energy: -169.974 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -170.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1966.785586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.785586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.785586 (E_RNA) where: Base-Base interactions energy: -1215.427 where: short stacking energy: -583.934 Base-Backbone interact. energy: -3.012 local terms energy: -748.346100 where: bonds (distance) C4'-P energy: -173.955 bonds (distance) P-C4' energy: -165.117 flat angles C4'-P-C4' energy: -159.683 flat angles P-C4'-P energy: -105.497 tors. eta vs tors. theta energy: -144.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1873.388987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.388987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.388987 (E_RNA) where: Base-Base interactions energy: -1200.600 where: short stacking energy: -533.198 Base-Backbone interact. energy: 2.252 local terms energy: -675.040640 where: bonds (distance) C4'-P energy: -162.193 bonds (distance) P-C4' energy: -151.463 flat angles C4'-P-C4' energy: -160.153 flat angles P-C4'-P energy: -82.760 tors. eta vs tors. theta energy: -118.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1516.112858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.112858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.112858 (E_RNA) where: Base-Base interactions energy: -890.260 where: short stacking energy: -429.061 Base-Backbone interact. energy: 6.976 local terms energy: -632.828382 where: bonds (distance) C4'-P energy: -165.228 bonds (distance) P-C4' energy: -177.774 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -83.620 tors. eta vs tors. theta energy: -53.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1110.844591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.844591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.844591 (E_RNA) where: Base-Base interactions energy: -568.818 where: short stacking energy: -319.965 Base-Backbone interact. energy: 0.436 local terms energy: -542.462171 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -154.902 flat angles C4'-P-C4' energy: -136.906 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -13.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -906.521067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.521067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.521067 (E_RNA) where: Base-Base interactions energy: -441.811 where: short stacking energy: -261.479 Base-Backbone interact. energy: 2.741 local terms energy: -467.451859 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -151.965 flat angles C4'-P-C4' energy: -146.114 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: 21.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -742.438889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.438889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.438889 (E_RNA) where: Base-Base interactions energy: -318.754 where: short stacking energy: -225.997 Base-Backbone interact. energy: 2.863 local terms energy: -426.547402 where: bonds (distance) C4'-P energy: -109.002 bonds (distance) P-C4' energy: -141.512 flat angles C4'-P-C4' energy: -122.080 flat angles P-C4'-P energy: -73.123 tors. eta vs tors. theta energy: 19.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2618.698908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.698908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.698908 (E_RNA) where: Base-Base interactions energy: -1734.999 where: short stacking energy: -784.096 Base-Backbone interact. energy: 2.254 local terms energy: -885.953407 where: bonds (distance) C4'-P energy: -162.770 bonds (distance) P-C4' energy: -197.498 flat angles C4'-P-C4' energy: -199.513 flat angles P-C4'-P energy: -122.074 tors. eta vs tors. theta energy: -204.098 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2592.409101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.409101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.409101 (E_RNA) where: Base-Base interactions energy: -1713.117 where: short stacking energy: -748.341 Base-Backbone interact. energy: 2.000 local terms energy: -881.291769 where: bonds (distance) C4'-P energy: -174.896 bonds (distance) P-C4' energy: -187.027 flat angles C4'-P-C4' energy: -199.500 flat angles P-C4'-P energy: -121.976 tors. eta vs tors. theta energy: -197.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2353.656560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.656560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.656560 (E_RNA) where: Base-Base interactions energy: -1516.403 where: short stacking energy: -724.481 Base-Backbone interact. energy: -2.645 local terms energy: -834.608379 where: bonds (distance) C4'-P energy: -174.121 bonds (distance) P-C4' energy: -172.469 flat angles C4'-P-C4' energy: -188.099 flat angles P-C4'-P energy: -113.482 tors. eta vs tors. theta energy: -186.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2222.487200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.487200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.487200 (E_RNA) where: Base-Base interactions energy: -1433.651 where: short stacking energy: -655.761 Base-Backbone interact. energy: -2.986 local terms energy: -785.850137 where: bonds (distance) C4'-P energy: -158.389 bonds (distance) P-C4' energy: -172.586 flat angles C4'-P-C4' energy: -170.283 flat angles P-C4'-P energy: -111.052 tors. eta vs tors. theta energy: -173.540 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1941.732895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.732895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.732895 (E_RNA) where: Base-Base interactions energy: -1198.513 where: short stacking energy: -588.520 Base-Backbone interact. energy: 1.488 local terms energy: -744.707537 where: bonds (distance) C4'-P energy: -151.963 bonds (distance) P-C4' energy: -196.713 flat angles C4'-P-C4' energy: -166.811 flat angles P-C4'-P energy: -95.539 tors. eta vs tors. theta energy: -133.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1946.060478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.060478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.060478 (E_RNA) where: Base-Base interactions energy: -1219.756 where: short stacking energy: -590.141 Base-Backbone interact. energy: -3.470 local terms energy: -722.834665 where: bonds (distance) C4'-P energy: -144.419 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -149.018 flat angles P-C4'-P energy: -115.309 tors. eta vs tors. theta energy: -150.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1609.039663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.039663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.039663 (E_RNA) where: Base-Base interactions energy: -964.649 where: short stacking energy: -471.818 Base-Backbone interact. energy: 4.844 local terms energy: -649.234039 where: bonds (distance) C4'-P energy: -125.027 bonds (distance) P-C4' energy: -187.468 flat angles C4'-P-C4' energy: -157.268 flat angles P-C4'-P energy: -101.345 tors. eta vs tors. theta energy: -78.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1167.160148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.160148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.160148 (E_RNA) where: Base-Base interactions energy: -607.802 where: short stacking energy: -336.358 Base-Backbone interact. energy: -0.272 local terms energy: -559.085723 where: bonds (distance) C4'-P energy: -161.571 bonds (distance) P-C4' energy: -144.461 flat angles C4'-P-C4' energy: -123.889 flat angles P-C4'-P energy: -102.461 tors. eta vs tors. theta energy: -26.704 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: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -960.448029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.448029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.448029 (E_RNA) where: Base-Base interactions energy: -464.820 where: short stacking energy: -272.910 Base-Backbone interact. energy: 2.912 local terms energy: -498.540301 where: bonds (distance) C4'-P energy: -149.868 bonds (distance) P-C4' energy: -124.613 flat angles C4'-P-C4' energy: -147.850 flat angles P-C4'-P energy: -86.144 tors. eta vs tors. theta energy: 9.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -668.666041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.666041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.666041 (E_RNA) where: Base-Base interactions energy: -201.837 where: short stacking energy: -168.408 Base-Backbone interact. energy: 3.336 local terms energy: -470.164820 where: bonds (distance) C4'-P energy: -145.103 bonds (distance) P-C4' energy: -161.378 flat angles C4'-P-C4' energy: -127.812 flat angles P-C4'-P energy: -87.413 tors. eta vs tors. theta energy: 51.542 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: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2636.821734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.821734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.821734 (E_RNA) where: Base-Base interactions energy: -1747.756 where: short stacking energy: -802.609 Base-Backbone interact. energy: -0.153 local terms energy: -888.912727 where: bonds (distance) C4'-P energy: -189.271 bonds (distance) P-C4' energy: -178.037 flat angles C4'-P-C4' energy: -180.998 flat angles P-C4'-P energy: -128.062 tors. eta vs tors. theta energy: -212.545 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: 57 Temperature: 0.950000 Total energy: -2589.336598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.336598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.336598 (E_RNA) where: Base-Base interactions energy: -1707.884 where: short stacking energy: -766.764 Base-Backbone interact. energy: -6.471 local terms energy: -874.981708 where: bonds (distance) C4'-P energy: -170.326 bonds (distance) P-C4' energy: -181.866 flat angles C4'-P-C4' energy: -209.852 flat angles P-C4'-P energy: -111.345 tors. eta vs tors. theta energy: -201.592 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: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2330.337621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.337621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.337621 (E_RNA) where: Base-Base interactions energy: -1505.928 where: short stacking energy: -689.524 Base-Backbone interact. energy: -5.390 local terms energy: -819.019328 where: bonds (distance) C4'-P energy: -179.503 bonds (distance) P-C4' energy: -166.794 flat angles C4'-P-C4' energy: -188.017 flat angles P-C4'-P energy: -99.575 tors. eta vs tors. theta energy: -185.130 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: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2243.190557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.190557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.190557 (E_RNA) where: Base-Base interactions energy: -1420.329 where: short stacking energy: -625.836 Base-Backbone interact. energy: -3.187 local terms energy: -819.674594 where: bonds (distance) C4'-P energy: -182.752 bonds (distance) P-C4' energy: -189.072 flat angles C4'-P-C4' energy: -170.075 flat angles P-C4'-P energy: -119.032 tors. eta vs tors. theta energy: -158.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1974.888443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.888443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.888443 (E_RNA) where: Base-Base interactions energy: -1245.126 where: short stacking energy: -591.109 Base-Backbone interact. energy: 2.997 local terms energy: -732.759140 where: bonds (distance) C4'-P energy: -169.781 bonds (distance) P-C4' energy: -159.156 flat angles C4'-P-C4' energy: -151.959 flat angles P-C4'-P energy: -112.083 tors. eta vs tors. theta energy: -139.781 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: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1895.449495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.449495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.449495 (E_RNA) where: Base-Base interactions energy: -1171.608 where: short stacking energy: -540.456 Base-Backbone interact. energy: -0.938 local terms energy: -722.903597 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -170.319 flat angles C4'-P-C4' energy: -171.419 flat angles P-C4'-P energy: -97.793 tors. eta vs tors. theta energy: -132.493 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: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1610.075132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.075132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.075132 (E_RNA) where: Base-Base interactions energy: -982.282 where: short stacking energy: -476.414 Base-Backbone interact. energy: 2.016 local terms energy: -629.809474 where: bonds (distance) C4'-P energy: -154.826 bonds (distance) P-C4' energy: -154.216 flat angles C4'-P-C4' energy: -140.265 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -93.044 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: 57 Temperature: 1.250000 Total energy: -1128.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.000000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.000000 (E_RNA) where: Base-Base interactions energy: -571.864 where: short stacking energy: -340.563 Base-Backbone interact. energy: 0.262 local terms energy: -556.397781 where: bonds (distance) C4'-P energy: -142.006 bonds (distance) P-C4' energy: -172.399 flat angles C4'-P-C4' energy: -151.574 flat angles P-C4'-P energy: -89.675 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -985.716759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.716759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.716759 (E_RNA) where: Base-Base interactions energy: -451.433 where: short stacking energy: -286.102 Base-Backbone interact. energy: 2.641 local terms energy: -536.924115 where: bonds (distance) C4'-P energy: -157.603 bonds (distance) P-C4' energy: -158.255 flat angles C4'-P-C4' energy: -131.739 flat angles P-C4'-P energy: -91.755 tors. eta vs tors. theta energy: 2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -649.620369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.620369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.620369 (E_RNA) where: Base-Base interactions energy: -233.387 where: short stacking energy: -179.785 Base-Backbone interact. energy: -2.302 local terms energy: -413.931275 where: bonds (distance) C4'-P energy: -135.932 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -100.244 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: 36.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2662.380945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.380945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.380945 (E_RNA) where: Base-Base interactions energy: -1752.991 where: short stacking energy: -828.640 Base-Backbone interact. energy: -2.233 local terms energy: -907.157124 where: bonds (distance) C4'-P energy: -176.214 bonds (distance) P-C4' energy: -184.811 flat angles C4'-P-C4' energy: -194.131 flat angles P-C4'-P energy: -126.515 tors. eta vs tors. theta energy: -225.486 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: 8 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2522.656693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.656693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.656693 (E_RNA) where: Base-Base interactions energy: -1646.160 where: short stacking energy: -726.776 Base-Backbone interact. energy: 1.960 local terms energy: -878.456651 where: bonds (distance) C4'-P energy: -176.269 bonds (distance) P-C4' energy: -174.253 flat angles C4'-P-C4' energy: -215.554 flat angles P-C4'-P energy: -115.105 tors. eta vs tors. theta energy: -197.275 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: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2358.618143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.618143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.618143 (E_RNA) where: Base-Base interactions energy: -1514.454 where: short stacking energy: -709.831 Base-Backbone interact. energy: -2.407 local terms energy: -841.757414 where: bonds (distance) C4'-P energy: -171.445 bonds (distance) P-C4' energy: -169.670 flat angles C4'-P-C4' energy: -184.284 flat angles P-C4'-P energy: -128.155 tors. eta vs tors. theta energy: -188.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2273.836322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.836322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.836322 (E_RNA) where: Base-Base interactions energy: -1440.090 where: short stacking energy: -654.038 Base-Backbone interact. energy: -2.870 local terms energy: -830.876726 where: bonds (distance) C4'-P energy: -167.165 bonds (distance) P-C4' energy: -159.670 flat angles C4'-P-C4' energy: -200.674 flat angles P-C4'-P energy: -118.032 tors. eta vs tors. theta energy: -185.335 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: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2048.237231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.237231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.237231 (E_RNA) where: Base-Base interactions energy: -1255.164 where: short stacking energy: -603.316 Base-Backbone interact. energy: -1.744 local terms energy: -791.329615 where: bonds (distance) C4'-P energy: -166.626 bonds (distance) P-C4' energy: -172.163 flat angles C4'-P-C4' energy: -171.931 flat angles P-C4'-P energy: -117.991 tors. eta vs tors. theta energy: -162.619 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: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1965.519366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.519366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.519366 (E_RNA) where: Base-Base interactions energy: -1228.714 where: short stacking energy: -592.557 Base-Backbone interact. energy: 2.045 local terms energy: -738.851142 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -178.047 flat angles C4'-P-C4' energy: -170.034 flat angles P-C4'-P energy: -101.735 tors. eta vs tors. theta energy: -152.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1576.240329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.240329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.240329 (E_RNA) where: Base-Base interactions energy: -930.897 where: short stacking energy: -468.357 Base-Backbone interact. energy: -5.191 local terms energy: -640.152301 where: bonds (distance) C4'-P energy: -150.072 bonds (distance) P-C4' energy: -162.491 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -99.902 tors. eta vs tors. theta energy: -82.996 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: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1078.725218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.725218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.725218 (E_RNA) where: Base-Base interactions energy: -567.776 where: short stacking energy: -319.615 Base-Backbone interact. energy: 2.114 local terms energy: -513.063699 where: bonds (distance) C4'-P energy: -125.267 bonds (distance) P-C4' energy: -131.798 flat angles C4'-P-C4' energy: -134.449 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -21.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -935.068474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.068474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.068474 (E_RNA) where: Base-Base interactions energy: -418.362 where: short stacking energy: -240.788 Base-Backbone interact. energy: 1.613 local terms energy: -518.318873 where: bonds (distance) C4'-P energy: -144.103 bonds (distance) P-C4' energy: -180.286 flat angles C4'-P-C4' energy: -122.524 flat angles P-C4'-P energy: -76.457 tors. eta vs tors. theta energy: 5.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -662.306339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.306339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.306339 (E_RNA) where: Base-Base interactions energy: -214.144 where: short stacking energy: -181.172 Base-Backbone interact. energy: 2.764 local terms energy: -450.926732 where: bonds (distance) C4'-P energy: -144.728 bonds (distance) P-C4' energy: -134.917 flat angles C4'-P-C4' energy: -153.819 flat angles P-C4'-P energy: -66.715 tors. eta vs tors. theta energy: 49.252 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: 59 Temperature: 0.900000 Total energy: -2670.792383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.792383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.792383 (E_RNA) where: Base-Base interactions energy: -1722.509 where: short stacking energy: -793.280 Base-Backbone interact. energy: -1.495 local terms energy: -946.788067 where: bonds (distance) C4'-P energy: -186.521 bonds (distance) P-C4' energy: -191.560 flat angles C4'-P-C4' energy: -209.597 flat angles P-C4'-P energy: -127.017 tors. eta vs tors. theta energy: -232.093 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: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2541.635935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.635935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.635935 (E_RNA) where: Base-Base interactions energy: -1676.293 where: short stacking energy: -747.027 Base-Backbone interact. energy: 4.200 local terms energy: -869.543394 where: bonds (distance) C4'-P energy: -168.318 bonds (distance) P-C4' energy: -169.622 flat angles C4'-P-C4' energy: -191.032 flat angles P-C4'-P energy: -127.585 tors. eta vs tors. theta energy: -212.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2391.595308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.595308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.595308 (E_RNA) where: Base-Base interactions energy: -1536.242 where: short stacking energy: -686.066 Base-Backbone interact. energy: -0.516 local terms energy: -854.837539 where: bonds (distance) C4'-P energy: -180.097 bonds (distance) P-C4' energy: -178.118 flat angles C4'-P-C4' energy: -201.051 flat angles P-C4'-P energy: -113.184 tors. eta vs tors. theta energy: -182.387 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: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2327.775181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.775181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.775181 (E_RNA) where: Base-Base interactions energy: -1531.644 where: short stacking energy: -721.443 Base-Backbone interact. energy: 0.513 local terms energy: -796.644244 where: bonds (distance) C4'-P energy: -139.956 bonds (distance) P-C4' energy: -155.830 flat angles C4'-P-C4' energy: -189.449 flat angles P-C4'-P energy: -117.250 tors. eta vs tors. theta energy: -194.159 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: 59 Temperature: 1.100000 Total energy: -2099.505464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.505464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.505464 (E_RNA) where: Base-Base interactions energy: -1348.175 where: short stacking energy: -611.936 Base-Backbone interact. energy: -3.203 local terms energy: -748.128157 where: bonds (distance) C4'-P energy: -140.282 bonds (distance) P-C4' energy: -170.280 flat angles C4'-P-C4' energy: -181.235 flat angles P-C4'-P energy: -107.633 tors. eta vs tors. theta energy: -148.697 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: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1909.088340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.088340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.088340 (E_RNA) where: Base-Base interactions energy: -1220.616 where: short stacking energy: -574.209 Base-Backbone interact. energy: 2.882 local terms energy: -691.354795 where: bonds (distance) C4'-P energy: -155.032 bonds (distance) P-C4' energy: -171.154 flat angles C4'-P-C4' energy: -144.512 flat angles P-C4'-P energy: -97.582 tors. eta vs tors. theta energy: -123.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1499.697372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.697372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.697372 (E_RNA) where: Base-Base interactions energy: -883.549 where: short stacking energy: -455.198 Base-Backbone interact. energy: -2.892 local terms energy: -613.256084 where: bonds (distance) C4'-P energy: -132.418 bonds (distance) P-C4' energy: -152.229 flat angles C4'-P-C4' energy: -154.828 flat angles P-C4'-P energy: -97.210 tors. eta vs tors. theta energy: -76.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1229.610219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.610219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.610219 (E_RNA) where: Base-Base interactions energy: -630.750 where: short stacking energy: -334.922 Base-Backbone interact. energy: 9.848 local terms energy: -608.708946 where: bonds (distance) C4'-P energy: -159.832 bonds (distance) P-C4' energy: -176.879 flat angles C4'-P-C4' energy: -150.998 flat angles P-C4'-P energy: -85.765 tors. eta vs tors. theta energy: -35.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -966.191292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.191292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.191292 (E_RNA) where: Base-Base interactions energy: -452.577 where: short stacking energy: -266.563 Base-Backbone interact. energy: -1.107 local terms energy: -512.507661 where: bonds (distance) C4'-P energy: -141.031 bonds (distance) P-C4' energy: -152.057 flat angles C4'-P-C4' energy: -130.423 flat angles P-C4'-P energy: -72.528 tors. eta vs tors. theta energy: -16.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -650.865799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.865799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.865799 (E_RNA) where: Base-Base interactions energy: -226.948 where: short stacking energy: -190.445 Base-Backbone interact. energy: -1.284 local terms energy: -422.633292 where: bonds (distance) C4'-P energy: -130.898 bonds (distance) P-C4' energy: -142.150 flat angles C4'-P-C4' energy: -125.096 flat angles P-C4'-P energy: -72.270 tors. eta vs tors. theta energy: 47.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2640.311755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.311755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.311755 (E_RNA) where: Base-Base interactions energy: -1739.379 where: short stacking energy: -780.551 Base-Backbone interact. energy: -2.110 local terms energy: -898.822366 where: bonds (distance) C4'-P energy: -184.431 bonds (distance) P-C4' energy: -189.534 flat angles C4'-P-C4' energy: -192.440 flat angles P-C4'-P energy: -120.785 tors. eta vs tors. theta energy: -211.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2555.140501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.140501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.140501 (E_RNA) where: Base-Base interactions energy: -1709.473 where: short stacking energy: -773.045 Base-Backbone interact. energy: -2.259 local terms energy: -843.408460 where: bonds (distance) C4'-P energy: -176.507 bonds (distance) P-C4' energy: -160.880 flat angles C4'-P-C4' energy: -196.511 flat angles P-C4'-P energy: -108.157 tors. eta vs tors. theta energy: -201.353 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: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2425.650370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.650370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.650370 (E_RNA) where: Base-Base interactions energy: -1588.233 where: short stacking energy: -723.836 Base-Backbone interact. energy: 1.193 local terms energy: -838.611185 where: bonds (distance) C4'-P energy: -169.064 bonds (distance) P-C4' energy: -166.887 flat angles C4'-P-C4' energy: -198.585 flat angles P-C4'-P energy: -115.875 tors. eta vs tors. theta energy: -188.200 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: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2277.001282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.001282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.001282 (E_RNA) where: Base-Base interactions energy: -1428.169 where: short stacking energy: -676.546 Base-Backbone interact. energy: -3.264 local terms energy: -845.568390 where: bonds (distance) C4'-P energy: -161.666 bonds (distance) P-C4' energy: -164.323 flat angles C4'-P-C4' energy: -194.880 flat angles P-C4'-P energy: -127.608 tors. eta vs tors. theta energy: -197.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2058.209837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.209837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.209837 (E_RNA) where: Base-Base interactions energy: -1316.987 where: short stacking energy: -618.691 Base-Backbone interact. energy: 1.824 local terms energy: -743.047151 where: bonds (distance) C4'-P energy: -154.968 bonds (distance) P-C4' energy: -178.082 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -106.266 tors. eta vs tors. theta energy: -153.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1906.319986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.319986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.319986 (E_RNA) where: Base-Base interactions energy: -1200.255 where: short stacking energy: -554.204 Base-Backbone interact. energy: 0.891 local terms energy: -706.955802 where: bonds (distance) C4'-P energy: -167.520 bonds (distance) P-C4' energy: -163.145 flat angles C4'-P-C4' energy: -153.362 flat angles P-C4'-P energy: -99.309 tors. eta vs tors. theta energy: -123.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1484.248730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.248730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.248730 (E_RNA) where: Base-Base interactions energy: -885.356 where: short stacking energy: -442.134 Base-Backbone interact. energy: 8.063 local terms energy: -606.955985 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -139.262 flat angles C4'-P-C4' energy: -156.936 flat angles P-C4'-P energy: -101.114 tors. eta vs tors. theta energy: -78.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1193.559333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.559333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.559333 (E_RNA) where: Base-Base interactions energy: -666.019 where: short stacking energy: -336.994 Base-Backbone interact. energy: -1.452 local terms energy: -526.088204 where: bonds (distance) C4'-P energy: -145.580 bonds (distance) P-C4' energy: -141.133 flat angles C4'-P-C4' energy: -116.525 flat angles P-C4'-P energy: -95.046 tors. eta vs tors. theta energy: -27.804 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: 9, replica: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -904.352158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.352158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.352158 (E_RNA) where: Base-Base interactions energy: -401.611 where: short stacking energy: -247.601 Base-Backbone interact. energy: 1.001 local terms energy: -503.742340 where: bonds (distance) C4'-P energy: -150.737 bonds (distance) P-C4' energy: -151.306 flat angles C4'-P-C4' energy: -128.510 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -717.172724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.172724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.172724 (E_RNA) where: Base-Base interactions energy: -303.867 where: short stacking energy: -219.174 Base-Backbone interact. energy: 3.500 local terms energy: -416.805550 where: bonds (distance) C4'-P energy: -150.297 bonds (distance) P-C4' energy: -125.997 flat angles C4'-P-C4' energy: -105.165 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: 27.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2639.900959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.900959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.900959 (E_RNA) where: Base-Base interactions energy: -1728.652 where: short stacking energy: -810.345 Base-Backbone interact. energy: -1.472 local terms energy: -909.777349 where: bonds (distance) C4'-P energy: -181.517 bonds (distance) P-C4' energy: -186.101 flat angles C4'-P-C4' energy: -206.813 flat angles P-C4'-P energy: -112.316 tors. eta vs tors. theta energy: -223.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2604.724174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.724174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.724174 (E_RNA) where: Base-Base interactions energy: -1732.601 where: short stacking energy: -726.534 Base-Backbone interact. energy: -3.799 local terms energy: -868.323310 where: bonds (distance) C4'-P energy: -177.079 bonds (distance) P-C4' energy: -171.210 flat angles C4'-P-C4' energy: -198.979 flat angles P-C4'-P energy: -128.635 tors. eta vs tors. theta energy: -192.420 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2413.559419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.559419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.559419 (E_RNA) where: Base-Base interactions energy: -1551.594 where: short stacking energy: -696.193 Base-Backbone interact. energy: -7.195 local terms energy: -854.769873 where: bonds (distance) C4'-P energy: -165.899 bonds (distance) P-C4' energy: -170.001 flat angles C4'-P-C4' energy: -197.888 flat angles P-C4'-P energy: -132.733 tors. eta vs tors. theta energy: -188.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2313.085394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.085394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.085394 (E_RNA) where: Base-Base interactions energy: -1494.132 where: short stacking energy: -738.331 Base-Backbone interact. energy: -0.835 local terms energy: -818.118243 where: bonds (distance) C4'-P energy: -139.361 bonds (distance) P-C4' energy: -164.581 flat angles C4'-P-C4' energy: -182.105 flat angles P-C4'-P energy: -121.771 tors. eta vs tors. theta energy: -210.300 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: 61 Temperature: 1.100000 Total energy: -2058.802470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.802470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.802470 (E_RNA) where: Base-Base interactions energy: -1286.070 where: short stacking energy: -611.944 Base-Backbone interact. energy: -3.212 local terms energy: -769.520186 where: bonds (distance) C4'-P energy: -157.136 bonds (distance) P-C4' energy: -185.502 flat angles C4'-P-C4' energy: -182.901 flat angles P-C4'-P energy: -95.485 tors. eta vs tors. theta energy: -148.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1969.163050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.163050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.163050 (E_RNA) where: Base-Base interactions energy: -1244.374 where: short stacking energy: -575.962 Base-Backbone interact. energy: -3.667 local terms energy: -721.122497 where: bonds (distance) C4'-P energy: -151.064 bonds (distance) P-C4' energy: -169.959 flat angles C4'-P-C4' energy: -149.731 flat angles P-C4'-P energy: -110.499 tors. eta vs tors. theta energy: -139.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1481.335747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.335747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.335747 (E_RNA) where: Base-Base interactions energy: -921.716 where: short stacking energy: -439.389 Base-Backbone interact. energy: -0.681 local terms energy: -558.938389 where: bonds (distance) C4'-P energy: -145.343 bonds (distance) P-C4' energy: -143.613 flat angles C4'-P-C4' energy: -133.918 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -68.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1115.117336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.117336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.117336 (E_RNA) where: Base-Base interactions energy: -596.058 where: short stacking energy: -303.337 Base-Backbone interact. energy: 4.723 local terms energy: -523.782744 where: bonds (distance) C4'-P energy: -133.452 bonds (distance) P-C4' energy: -153.027 flat angles C4'-P-C4' energy: -132.835 flat angles P-C4'-P energy: -92.552 tors. eta vs tors. theta energy: -11.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -896.824370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.824370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.824370 (E_RNA) where: Base-Base interactions energy: -406.478 where: short stacking energy: -265.805 Base-Backbone interact. energy: 4.708 local terms energy: -495.054625 where: bonds (distance) C4'-P energy: -158.186 bonds (distance) P-C4' energy: -136.306 flat angles C4'-P-C4' energy: -122.558 flat angles P-C4'-P energy: -81.040 tors. eta vs tors. theta energy: 3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -743.573197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.573197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.573197 (E_RNA) where: Base-Base interactions energy: -316.318 where: short stacking energy: -204.612 Base-Backbone interact. energy: -0.601 local terms energy: -426.654145 where: bonds (distance) C4'-P energy: -107.789 bonds (distance) P-C4' energy: -154.549 flat angles C4'-P-C4' energy: -114.023 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: 36.335 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: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2666.445658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.445658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.445658 (E_RNA) where: Base-Base interactions energy: -1732.469 where: short stacking energy: -785.684 Base-Backbone interact. energy: -3.204 local terms energy: -930.772389 where: bonds (distance) C4'-P energy: -192.050 bonds (distance) P-C4' energy: -174.138 flat angles C4'-P-C4' energy: -207.449 flat angles P-C4'-P energy: -139.997 tors. eta vs tors. theta energy: -217.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2641.145329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.145329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.145329 (E_RNA) where: Base-Base interactions energy: -1747.669 where: short stacking energy: -790.460 Base-Backbone interact. energy: -8.203 local terms energy: -885.273787 where: bonds (distance) C4'-P energy: -167.128 bonds (distance) P-C4' energy: -167.634 flat angles C4'-P-C4' energy: -203.890 flat angles P-C4'-P energy: -122.230 tors. eta vs tors. theta energy: -224.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2429.659123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.659123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.659123 (E_RNA) where: Base-Base interactions energy: -1585.570 where: short stacking energy: -724.197 Base-Backbone interact. energy: -4.949 local terms energy: -839.139847 where: bonds (distance) C4'-P energy: -150.427 bonds (distance) P-C4' energy: -183.917 flat angles C4'-P-C4' energy: -193.075 flat angles P-C4'-P energy: -114.431 tors. eta vs tors. theta energy: -197.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2347.375320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.375320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.375320 (E_RNA) where: Base-Base interactions energy: -1552.461 where: short stacking energy: -701.925 Base-Backbone interact. energy: 5.065 local terms energy: -799.979667 where: bonds (distance) C4'-P energy: -159.244 bonds (distance) P-C4' energy: -163.361 flat angles C4'-P-C4' energy: -168.945 flat angles P-C4'-P energy: -122.661 tors. eta vs tors. theta energy: -185.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2051.452457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.452457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.452457 (E_RNA) where: Base-Base interactions energy: -1259.241 where: short stacking energy: -599.776 Base-Backbone interact. energy: -3.943 local terms energy: -788.267740 where: bonds (distance) C4'-P energy: -171.306 bonds (distance) P-C4' energy: -171.604 flat angles C4'-P-C4' energy: -180.184 flat angles P-C4'-P energy: -115.450 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: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2066.149150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.149150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.149150 (E_RNA) where: Base-Base interactions energy: -1300.424 where: short stacking energy: -602.544 Base-Backbone interact. energy: -1.610 local terms energy: -764.115130 where: bonds (distance) C4'-P energy: -165.259 bonds (distance) P-C4' energy: -167.011 flat angles C4'-P-C4' energy: -185.274 flat angles P-C4'-P energy: -98.984 tors. eta vs tors. theta energy: -147.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1527.414977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.414977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.414977 (E_RNA) where: Base-Base interactions energy: -916.586 where: short stacking energy: -449.191 Base-Backbone interact. energy: 0.124 local terms energy: -610.953330 where: bonds (distance) C4'-P energy: -151.256 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -149.388 flat angles P-C4'-P energy: -100.174 tors. eta vs tors. theta energy: -68.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1107.182913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.182913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.182913 (E_RNA) where: Base-Base interactions energy: -592.435 where: short stacking energy: -334.176 Base-Backbone interact. energy: 4.078 local terms energy: -518.825769 where: bonds (distance) C4'-P energy: -171.930 bonds (distance) P-C4' energy: -146.082 flat angles C4'-P-C4' energy: -123.373 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -9.263 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: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -890.580286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.580286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.580286 (E_RNA) where: Base-Base interactions energy: -407.696 where: short stacking energy: -241.263 Base-Backbone interact. energy: 14.459 local terms energy: -497.343154 where: bonds (distance) C4'-P energy: -132.090 bonds (distance) P-C4' energy: -144.451 flat angles C4'-P-C4' energy: -151.855 flat angles P-C4'-P energy: -80.849 tors. eta vs tors. theta energy: 11.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -771.932261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.932261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.932261 (E_RNA) where: Base-Base interactions energy: -273.764 where: short stacking energy: -190.459 Base-Backbone interact. energy: 2.379 local terms energy: -500.547003 where: bonds (distance) C4'-P energy: -140.464 bonds (distance) P-C4' energy: -163.161 flat angles C4'-P-C4' energy: -146.137 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: 24.405 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: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2700.705800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.705800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.705800 (E_RNA) where: Base-Base interactions energy: -1754.446 where: short stacking energy: -819.523 Base-Backbone interact. energy: -3.423 local terms energy: -942.837014 where: bonds (distance) C4'-P energy: -174.127 bonds (distance) P-C4' energy: -189.220 flat angles C4'-P-C4' energy: -210.598 flat angles P-C4'-P energy: -135.946 tors. eta vs tors. theta energy: -232.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2641.201226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.201226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.201226 (E_RNA) where: Base-Base interactions energy: -1726.753 where: short stacking energy: -753.169 Base-Backbone interact. energy: -4.787 local terms energy: -909.660689 where: bonds (distance) C4'-P energy: -179.486 bonds (distance) P-C4' energy: -188.971 flat angles C4'-P-C4' energy: -202.201 flat angles P-C4'-P energy: -121.892 tors. eta vs tors. theta energy: -217.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2456.558268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.558268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.558268 (E_RNA) where: Base-Base interactions energy: -1582.330 where: short stacking energy: -719.085 Base-Backbone interact. energy: -1.350 local terms energy: -872.878854 where: bonds (distance) C4'-P energy: -173.111 bonds (distance) P-C4' energy: -189.056 flat angles C4'-P-C4' energy: -195.619 flat angles P-C4'-P energy: -128.263 tors. eta vs tors. theta energy: -186.830 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: 63 Temperature: 1.050000 Total energy: -2374.456082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.456082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.456082 (E_RNA) where: Base-Base interactions energy: -1542.103 where: short stacking energy: -703.883 Base-Backbone interact. energy: -3.719 local terms energy: -828.634492 where: bonds (distance) C4'-P energy: -180.698 bonds (distance) P-C4' energy: -171.500 flat angles C4'-P-C4' energy: -177.834 flat angles P-C4'-P energy: -109.671 tors. eta vs tors. theta energy: -188.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2030.991048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.991048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.991048 (E_RNA) where: Base-Base interactions energy: -1274.567 where: short stacking energy: -617.590 Base-Backbone interact. energy: 0.715 local terms energy: -757.138420 where: bonds (distance) C4'-P energy: -149.097 bonds (distance) P-C4' energy: -163.228 flat angles C4'-P-C4' energy: -161.687 flat angles P-C4'-P energy: -115.663 tors. eta vs tors. theta energy: -167.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2073.373764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.373764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.373764 (E_RNA) where: Base-Base interactions energy: -1310.675 where: short stacking energy: -597.156 Base-Backbone interact. energy: -3.384 local terms energy: -759.314784 where: bonds (distance) C4'-P energy: -128.729 bonds (distance) P-C4' energy: -182.166 flat angles C4'-P-C4' energy: -171.522 flat angles P-C4'-P energy: -115.380 tors. eta vs tors. theta energy: -161.517 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: 63 Temperature: 1.200000 Total energy: -1626.197351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.197351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.197351 (E_RNA) where: Base-Base interactions energy: -977.969 where: short stacking energy: -454.660 Base-Backbone interact. energy: -3.131 local terms energy: -645.097261 where: bonds (distance) C4'-P energy: -132.279 bonds (distance) P-C4' energy: -152.159 flat angles C4'-P-C4' energy: -156.021 flat angles P-C4'-P energy: -108.526 tors. eta vs tors. theta energy: -96.112 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: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1104.762898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.762898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.762898 (E_RNA) where: Base-Base interactions energy: -552.032 where: short stacking energy: -305.672 Base-Backbone interact. energy: 7.037 local terms energy: -559.768455 where: bonds (distance) C4'-P energy: -142.223 bonds (distance) P-C4' energy: -177.436 flat angles C4'-P-C4' energy: -139.056 flat angles P-C4'-P energy: -89.638 tors. eta vs tors. theta energy: -11.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -892.324554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.324554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.324554 (E_RNA) where: Base-Base interactions energy: -384.452 where: short stacking energy: -238.604 Base-Backbone interact. energy: 1.396 local terms energy: -509.268457 where: bonds (distance) C4'-P energy: -140.465 bonds (distance) P-C4' energy: -155.244 flat angles C4'-P-C4' energy: -151.828 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: 1.127 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: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -756.957475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.957475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.957475 (E_RNA) where: Base-Base interactions energy: -292.342 where: short stacking energy: -207.387 Base-Backbone interact. energy: -2.271 local terms energy: -462.344812 where: bonds (distance) C4'-P energy: -150.203 bonds (distance) P-C4' energy: -144.394 flat angles C4'-P-C4' energy: -129.009 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: 31.043 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: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2651.412929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.412929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.412929 (E_RNA) where: Base-Base interactions energy: -1733.923 where: short stacking energy: -796.658 Base-Backbone interact. energy: -0.265 local terms energy: -917.224855 where: bonds (distance) C4'-P energy: -183.554 bonds (distance) P-C4' energy: -180.079 flat angles C4'-P-C4' energy: -208.090 flat angles P-C4'-P energy: -127.699 tors. eta vs tors. theta energy: -217.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2668.724846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.724846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.724846 (E_RNA) where: Base-Base interactions energy: -1796.453 where: short stacking energy: -803.042 Base-Backbone interact. energy: -6.854 local terms energy: -865.418096 where: bonds (distance) C4'-P energy: -185.340 bonds (distance) P-C4' energy: -176.671 flat angles C4'-P-C4' energy: -194.055 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -207.744 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: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2413.327398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.327398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.327398 (E_RNA) where: Base-Base interactions energy: -1560.617 where: short stacking energy: -685.315 Base-Backbone interact. energy: -1.810 local terms energy: -850.900813 where: bonds (distance) C4'-P energy: -175.914 bonds (distance) P-C4' energy: -191.922 flat angles C4'-P-C4' energy: -178.997 flat angles P-C4'-P energy: -127.916 tors. eta vs tors. theta energy: -176.153 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: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2416.713217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.713217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.713217 (E_RNA) where: Base-Base interactions energy: -1601.421 where: short stacking energy: -728.206 Base-Backbone interact. energy: -1.025 local terms energy: -814.266661 where: bonds (distance) C4'-P energy: -152.087 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -186.278 flat angles P-C4'-P energy: -103.060 tors. eta vs tors. theta energy: -208.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2159.707368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.707368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.707368 (E_RNA) where: Base-Base interactions energy: -1382.439 where: short stacking energy: -598.989 Base-Backbone interact. energy: -0.599 local terms energy: -776.669305 where: bonds (distance) C4'-P energy: -168.675 bonds (distance) P-C4' energy: -177.066 flat angles C4'-P-C4' energy: -166.341 flat angles P-C4'-P energy: -106.357 tors. eta vs tors. theta energy: -158.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2007.097980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.097980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.097980 (E_RNA) where: Base-Base interactions energy: -1251.096 where: short stacking energy: -607.180 Base-Backbone interact. energy: 3.625 local terms energy: -759.627221 where: bonds (distance) C4'-P energy: -158.445 bonds (distance) P-C4' energy: -170.455 flat angles C4'-P-C4' energy: -172.652 flat angles P-C4'-P energy: -104.926 tors. eta vs tors. theta energy: -153.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1734.928717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.928717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.928717 (E_RNA) where: Base-Base interactions energy: -1057.425 where: short stacking energy: -503.300 Base-Backbone interact. energy: -0.164 local terms energy: -677.340574 where: bonds (distance) C4'-P energy: -136.096 bonds (distance) P-C4' energy: -144.474 flat angles C4'-P-C4' energy: -177.772 flat angles P-C4'-P energy: -109.713 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1110.802965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.802965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.802965 (E_RNA) where: Base-Base interactions energy: -549.205 where: short stacking energy: -308.459 Base-Backbone interact. energy: 0.749 local terms energy: -562.346999 where: bonds (distance) C4'-P energy: -175.412 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -151.699 flat angles P-C4'-P energy: -77.313 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -822.318660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.318660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.318660 (E_RNA) where: Base-Base interactions energy: -345.937 where: short stacking energy: -234.391 Base-Backbone interact. energy: 2.426 local terms energy: -478.806794 where: bonds (distance) C4'-P energy: -141.159 bonds (distance) P-C4' energy: -149.176 flat angles C4'-P-C4' energy: -129.614 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: 21.057 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: 64 Temperature: 1.350000 Total energy: -648.276685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.276685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.276685 (E_RNA) where: Base-Base interactions energy: -196.531 where: short stacking energy: -168.009 Base-Backbone interact. energy: -1.867 local terms energy: -449.878328 where: bonds (distance) C4'-P energy: -166.047 bonds (distance) P-C4' energy: -138.724 flat angles C4'-P-C4' energy: -105.246 flat angles P-C4'-P energy: -83.427 tors. eta vs tors. theta energy: 43.566 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: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2724.541789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.541789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.541789 (E_RNA) where: Base-Base interactions energy: -1795.566 where: short stacking energy: -821.392 Base-Backbone interact. energy: -0.005 local terms energy: -928.970537 where: bonds (distance) C4'-P energy: -189.813 bonds (distance) P-C4' energy: -178.121 flat angles C4'-P-C4' energy: -187.187 flat angles P-C4'-P energy: -140.289 tors. eta vs tors. theta energy: -233.561 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: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2637.251972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.251972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.251972 (E_RNA) where: Base-Base interactions energy: -1735.837 where: short stacking energy: -753.428 Base-Backbone interact. energy: -7.772 local terms energy: -893.643358 where: bonds (distance) C4'-P energy: -159.367 bonds (distance) P-C4' energy: -188.991 flat angles C4'-P-C4' energy: -206.493 flat angles P-C4'-P energy: -122.575 tors. eta vs tors. theta energy: -216.217 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: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2417.388610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.388610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.388610 (E_RNA) where: Base-Base interactions energy: -1588.270 where: short stacking energy: -735.724 Base-Backbone interact. energy: 2.371 local terms energy: -831.489215 where: bonds (distance) C4'-P energy: -187.720 bonds (distance) P-C4' energy: -179.576 flat angles C4'-P-C4' energy: -183.043 flat angles P-C4'-P energy: -104.875 tors. eta vs tors. theta energy: -176.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2400.730637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.730637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.730637 (E_RNA) where: Base-Base interactions energy: -1580.156 where: short stacking energy: -702.619 Base-Backbone interact. energy: 1.282 local terms energy: -821.856545 where: bonds (distance) C4'-P energy: -165.984 bonds (distance) P-C4' energy: -165.041 flat angles C4'-P-C4' energy: -185.661 flat angles P-C4'-P energy: -115.131 tors. eta vs tors. theta energy: -190.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2199.335771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.335771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.335771 (E_RNA) where: Base-Base interactions energy: -1433.669 where: short stacking energy: -640.399 Base-Backbone interact. energy: -1.992 local terms energy: -763.675237 where: bonds (distance) C4'-P energy: -151.832 bonds (distance) P-C4' energy: -167.573 flat angles C4'-P-C4' energy: -166.394 flat angles P-C4'-P energy: -116.424 tors. eta vs tors. theta energy: -161.451 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: 65 Temperature: 1.150000 Total energy: -1910.385444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.385444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.385444 (E_RNA) where: Base-Base interactions energy: -1189.578 where: short stacking energy: -549.070 Base-Backbone interact. energy: -3.462 local terms energy: -717.345678 where: bonds (distance) C4'-P energy: -146.862 bonds (distance) P-C4' energy: -175.768 flat angles C4'-P-C4' energy: -162.228 flat angles P-C4'-P energy: -101.568 tors. eta vs tors. theta energy: -130.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1622.660664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.660664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.660664 (E_RNA) where: Base-Base interactions energy: -973.248 where: short stacking energy: -463.149 Base-Backbone interact. energy: 2.601 local terms energy: -652.014140 where: bonds (distance) C4'-P energy: -131.780 bonds (distance) P-C4' energy: -169.422 flat angles C4'-P-C4' energy: -161.891 flat angles P-C4'-P energy: -92.015 tors. eta vs tors. theta energy: -96.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1108.745127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.745127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.745127 (E_RNA) where: Base-Base interactions energy: -571.351 where: short stacking energy: -343.968 Base-Backbone interact. energy: -0.244 local terms energy: -537.150166 where: bonds (distance) C4'-P energy: -149.876 bonds (distance) P-C4' energy: -153.021 flat angles C4'-P-C4' energy: -132.378 flat angles P-C4'-P energy: -64.409 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: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -841.039276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.039276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.039276 (E_RNA) where: Base-Base interactions energy: -326.153 where: short stacking energy: -247.505 Base-Backbone interact. energy: 3.412 local terms energy: -518.298104 where: bonds (distance) C4'-P energy: -154.275 bonds (distance) P-C4' energy: -156.653 flat angles C4'-P-C4' energy: -129.528 flat angles P-C4'-P energy: -79.470 tors. eta vs tors. theta energy: 1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -731.507412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.507412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.507412 (E_RNA) where: Base-Base interactions energy: -302.093 where: short stacking energy: -223.081 Base-Backbone interact. energy: -0.166 local terms energy: -429.248385 where: bonds (distance) C4'-P energy: -148.031 bonds (distance) P-C4' energy: -145.974 flat angles C4'-P-C4' energy: -96.609 flat angles P-C4'-P energy: -59.269 tors. eta vs tors. theta energy: 20.634 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: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2723.801853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.801853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.801853 (E_RNA) where: Base-Base interactions energy: -1794.781 where: short stacking energy: -811.130 Base-Backbone interact. energy: -1.689 local terms energy: -927.332526 where: bonds (distance) C4'-P energy: -170.939 bonds (distance) P-C4' energy: -180.285 flat angles C4'-P-C4' energy: -207.837 flat angles P-C4'-P energy: -135.676 tors. eta vs tors. theta energy: -232.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2663.231485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.231485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.231485 (E_RNA) where: Base-Base interactions energy: -1777.060 where: short stacking energy: -772.643 Base-Backbone interact. energy: -4.055 local terms energy: -882.115728 where: bonds (distance) C4'-P energy: -168.515 bonds (distance) P-C4' energy: -176.742 flat angles C4'-P-C4' energy: -209.195 flat angles P-C4'-P energy: -123.074 tors. eta vs tors. theta energy: -204.589 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: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2494.883271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.883271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.883271 (E_RNA) where: Base-Base interactions energy: -1622.337 where: short stacking energy: -713.217 Base-Backbone interact. energy: -3.431 local terms energy: -869.115044 where: bonds (distance) C4'-P energy: -177.307 bonds (distance) P-C4' energy: -168.226 flat angles C4'-P-C4' energy: -191.457 flat angles P-C4'-P energy: -140.738 tors. eta vs tors. theta energy: -191.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2262.028215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.028215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.028215 (E_RNA) where: Base-Base interactions energy: -1459.027 where: short stacking energy: -635.820 Base-Backbone interact. energy: -1.638 local terms energy: -801.363032 where: bonds (distance) C4'-P energy: -162.607 bonds (distance) P-C4' energy: -183.054 flat angles C4'-P-C4' energy: -180.335 flat angles P-C4'-P energy: -108.241 tors. eta vs tors. theta energy: -167.127 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: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2138.303102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.303102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.303102 (E_RNA) where: Base-Base interactions energy: -1382.546 where: short stacking energy: -636.492 Base-Backbone interact. energy: 0.018 local terms energy: -755.775174 where: bonds (distance) C4'-P energy: -155.721 bonds (distance) P-C4' energy: -171.576 flat angles C4'-P-C4' energy: -179.279 flat angles P-C4'-P energy: -114.442 tors. eta vs tors. theta energy: -134.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1937.643292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.643292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.643292 (E_RNA) where: Base-Base interactions energy: -1229.927 where: short stacking energy: -567.475 Base-Backbone interact. energy: -4.427 local terms energy: -703.288730 where: bonds (distance) C4'-P energy: -160.373 bonds (distance) P-C4' energy: -135.056 flat angles C4'-P-C4' energy: -176.605 flat angles P-C4'-P energy: -102.686 tors. eta vs tors. theta energy: -128.570 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: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1620.628673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.628673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.628673 (E_RNA) where: Base-Base interactions energy: -996.154 where: short stacking energy: -481.203 Base-Backbone interact. energy: -3.867 local terms energy: -620.607353 where: bonds (distance) C4'-P energy: -146.496 bonds (distance) P-C4' energy: -134.633 flat angles C4'-P-C4' energy: -148.520 flat angles P-C4'-P energy: -104.297 tors. eta vs tors. theta energy: -86.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1126.783196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.783196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.783196 (E_RNA) where: Base-Base interactions energy: -571.161 where: short stacking energy: -320.310 Base-Backbone interact. energy: -0.721 local terms energy: -554.900853 where: bonds (distance) C4'-P energy: -154.812 bonds (distance) P-C4' energy: -150.197 flat angles C4'-P-C4' energy: -136.837 flat angles P-C4'-P energy: -82.977 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: 9, replica: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -833.150767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.150767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.150767 (E_RNA) where: Base-Base interactions energy: -315.351 where: short stacking energy: -202.779 Base-Backbone interact. energy: 3.481 local terms energy: -521.280893 where: bonds (distance) C4'-P energy: -139.787 bonds (distance) P-C4' energy: -187.602 flat angles C4'-P-C4' energy: -143.471 flat angles P-C4'-P energy: -74.806 tors. eta vs tors. theta energy: 24.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -717.946456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.946456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.946456 (E_RNA) where: Base-Base interactions energy: -247.517 where: short stacking energy: -182.598 Base-Backbone interact. energy: 3.202 local terms energy: -473.631562 where: bonds (distance) C4'-P energy: -144.638 bonds (distance) P-C4' energy: -149.256 flat angles C4'-P-C4' energy: -135.179 flat angles P-C4'-P energy: -75.715 tors. eta vs tors. theta energy: 31.156 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: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2676.845137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.845137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.845137 (E_RNA) where: Base-Base interactions energy: -1723.501 where: short stacking energy: -788.847 Base-Backbone interact. energy: -1.884 local terms energy: -951.460199 where: bonds (distance) C4'-P energy: -194.186 bonds (distance) P-C4' energy: -204.051 flat angles C4'-P-C4' energy: -205.678 flat angles P-C4'-P energy: -125.857 tors. eta vs tors. theta energy: -221.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2643.112840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.112840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.112840 (E_RNA) where: Base-Base interactions energy: -1752.045 where: short stacking energy: -787.527 Base-Backbone interact. energy: -2.156 local terms energy: -888.912152 where: bonds (distance) C4'-P energy: -169.460 bonds (distance) P-C4' energy: -170.807 flat angles C4'-P-C4' energy: -206.736 flat angles P-C4'-P energy: -122.142 tors. eta vs tors. theta energy: -219.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2534.296623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.296623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.296623 (E_RNA) where: Base-Base interactions energy: -1705.061 where: short stacking energy: -780.818 Base-Backbone interact. energy: 0.564 local terms energy: -829.799085 where: bonds (distance) C4'-P energy: -146.599 bonds (distance) P-C4' energy: -166.755 flat angles C4'-P-C4' energy: -189.236 flat angles P-C4'-P energy: -113.989 tors. eta vs tors. theta energy: -213.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2311.854019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.854019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.854019 (E_RNA) where: Base-Base interactions energy: -1502.532 where: short stacking energy: -696.018 Base-Backbone interact. energy: -1.359 local terms energy: -807.962486 where: bonds (distance) C4'-P energy: -174.298 bonds (distance) P-C4' energy: -177.067 flat angles C4'-P-C4' energy: -185.770 flat angles P-C4'-P energy: -105.617 tors. eta vs tors. theta energy: -165.210 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: 5, replica: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2152.743208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.743208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.743208 (E_RNA) where: Base-Base interactions energy: -1366.577 where: short stacking energy: -632.904 Base-Backbone interact. energy: -2.871 local terms energy: -783.294968 where: bonds (distance) C4'-P energy: -156.349 bonds (distance) P-C4' energy: -175.033 flat angles C4'-P-C4' energy: -172.621 flat angles P-C4'-P energy: -109.227 tors. eta vs tors. theta energy: -170.065 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: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1921.610889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.610889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.610889 (E_RNA) where: Base-Base interactions energy: -1194.909 where: short stacking energy: -555.540 Base-Backbone interact. energy: -0.491 local terms energy: -726.210662 where: bonds (distance) C4'-P energy: -146.062 bonds (distance) P-C4' energy: -178.556 flat angles C4'-P-C4' energy: -167.888 flat angles P-C4'-P energy: -105.385 tors. eta vs tors. theta energy: -128.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1702.399040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.399040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.399040 (E_RNA) where: Base-Base interactions energy: -1019.879 where: short stacking energy: -471.436 Base-Backbone interact. energy: 0.650 local terms energy: -683.170409 where: bonds (distance) C4'-P energy: -154.918 bonds (distance) P-C4' energy: -164.172 flat angles C4'-P-C4' energy: -167.270 flat angles P-C4'-P energy: -95.314 tors. eta vs tors. theta energy: -101.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1162.847203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.847203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.847203 (E_RNA) where: Base-Base interactions energy: -587.498 where: short stacking energy: -284.915 Base-Backbone interact. energy: 2.013 local terms energy: -577.361568 where: bonds (distance) C4'-P energy: -149.651 bonds (distance) P-C4' energy: -170.982 flat angles C4'-P-C4' energy: -143.845 flat angles P-C4'-P energy: -96.510 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -898.044981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.044981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.044981 (E_RNA) where: Base-Base interactions energy: -402.009 where: short stacking energy: -236.015 Base-Backbone interact. energy: -0.963 local terms energy: -495.072595 where: bonds (distance) C4'-P energy: -139.651 bonds (distance) P-C4' energy: -147.133 flat angles C4'-P-C4' energy: -132.994 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: 12.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -654.385225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.385225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.385225 (E_RNA) where: Base-Base interactions energy: -214.472 where: short stacking energy: -179.493 Base-Backbone interact. energy: 2.121 local terms energy: -442.033880 where: bonds (distance) C4'-P energy: -151.194 bonds (distance) P-C4' energy: -151.491 flat angles C4'-P-C4' energy: -119.182 flat angles P-C4'-P energy: -62.301 tors. eta vs tors. theta energy: 42.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2720.566193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.566193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.566193 (E_RNA) where: Base-Base interactions energy: -1788.999 where: short stacking energy: -833.865 Base-Backbone interact. energy: 2.322 local terms energy: -933.889577 where: bonds (distance) C4'-P energy: -191.554 bonds (distance) P-C4' energy: -185.384 flat angles C4'-P-C4' energy: -198.275 flat angles P-C4'-P energy: -126.266 tors. eta vs tors. theta energy: -232.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2567.598830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.598830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.598830 (E_RNA) where: Base-Base interactions energy: -1694.749 where: short stacking energy: -739.963 Base-Backbone interact. energy: -1.369 local terms energy: -871.479871 where: bonds (distance) C4'-P energy: -180.225 bonds (distance) P-C4' energy: -177.254 flat angles C4'-P-C4' energy: -180.076 flat angles P-C4'-P energy: -131.386 tors. eta vs tors. theta energy: -202.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2559.141669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.141669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.141669 (E_RNA) where: Base-Base interactions energy: -1678.591 where: short stacking energy: -746.566 Base-Backbone interact. energy: -0.845 local terms energy: -879.705366 where: bonds (distance) C4'-P energy: -159.397 bonds (distance) P-C4' energy: -200.529 flat angles C4'-P-C4' energy: -187.200 flat angles P-C4'-P energy: -124.763 tors. eta vs tors. theta energy: -207.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2234.327718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.327718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.327718 (E_RNA) where: Base-Base interactions energy: -1429.238 where: short stacking energy: -641.184 Base-Backbone interact. energy: -0.098 local terms energy: -804.991908 where: bonds (distance) C4'-P energy: -167.718 bonds (distance) P-C4' energy: -182.613 flat angles C4'-P-C4' energy: -175.570 flat angles P-C4'-P energy: -115.844 tors. eta vs tors. theta energy: -163.248 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: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2198.810942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.810942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.810942 (E_RNA) where: Base-Base interactions energy: -1402.777 where: short stacking energy: -628.686 Base-Backbone interact. energy: 5.729 local terms energy: -801.762581 where: bonds (distance) C4'-P energy: -161.035 bonds (distance) P-C4' energy: -183.764 flat angles C4'-P-C4' energy: -188.795 flat angles P-C4'-P energy: -103.368 tors. eta vs tors. theta energy: -164.799 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: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1886.613464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.613464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.613464 (E_RNA) where: Base-Base interactions energy: -1198.530 where: short stacking energy: -546.816 Base-Backbone interact. energy: 3.816 local terms energy: -691.900254 where: bonds (distance) C4'-P energy: -157.500 bonds (distance) P-C4' energy: -161.297 flat angles C4'-P-C4' energy: -160.774 flat angles P-C4'-P energy: -99.822 tors. eta vs tors. theta energy: -112.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1605.324745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.324745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.324745 (E_RNA) where: Base-Base interactions energy: -989.650 where: short stacking energy: -423.101 Base-Backbone interact. energy: -1.075 local terms energy: -614.599620 where: bonds (distance) C4'-P energy: -146.359 bonds (distance) P-C4' energy: -147.375 flat angles C4'-P-C4' energy: -140.008 flat angles P-C4'-P energy: -108.425 tors. eta vs tors. theta energy: -72.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1217.796465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.796465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.796465 (E_RNA) where: Base-Base interactions energy: -633.760 where: short stacking energy: -331.499 Base-Backbone interact. energy: -2.085 local terms energy: -581.951793 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -156.028 flat angles C4'-P-C4' energy: -166.627 flat angles P-C4'-P energy: -96.522 tors. eta vs tors. theta energy: -24.324 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: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -918.937018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.937018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.937018 (E_RNA) where: Base-Base interactions energy: -431.870 where: short stacking energy: -279.022 Base-Backbone interact. energy: 3.645 local terms energy: -490.712196 where: bonds (distance) C4'-P energy: -146.311 bonds (distance) P-C4' energy: -148.015 flat angles C4'-P-C4' energy: -123.898 flat angles P-C4'-P energy: -65.084 tors. eta vs tors. theta energy: -7.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -663.907183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.907183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.907183 (E_RNA) where: Base-Base interactions energy: -223.606 where: short stacking energy: -193.413 Base-Backbone interact. energy: 3.715 local terms energy: -444.015749 where: bonds (distance) C4'-P energy: -146.935 bonds (distance) P-C4' energy: -140.477 flat angles C4'-P-C4' energy: -119.372 flat angles P-C4'-P energy: -66.396 tors. eta vs tors. theta energy: 29.164 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: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2700.392248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.392248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.392248 (E_RNA) where: Base-Base interactions energy: -1811.256 where: short stacking energy: -802.173 Base-Backbone interact. energy: -1.168 local terms energy: -887.968761 where: bonds (distance) C4'-P energy: -154.380 bonds (distance) P-C4' energy: -182.754 flat angles C4'-P-C4' energy: -200.869 flat angles P-C4'-P energy: -126.517 tors. eta vs tors. theta energy: -223.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2668.746083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.746083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.746083 (E_RNA) where: Base-Base interactions energy: -1756.616 where: short stacking energy: -830.226 Base-Backbone interact. energy: -3.948 local terms energy: -908.182173 where: bonds (distance) C4'-P energy: -180.437 bonds (distance) P-C4' energy: -175.144 flat angles C4'-P-C4' energy: -200.297 flat angles P-C4'-P energy: -123.505 tors. eta vs tors. theta energy: -228.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2520.141388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.141388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.141388 (E_RNA) where: Base-Base interactions energy: -1670.688 where: short stacking energy: -702.102 Base-Backbone interact. energy: -6.315 local terms energy: -843.137831 where: bonds (distance) C4'-P energy: -164.915 bonds (distance) P-C4' energy: -171.448 flat angles C4'-P-C4' energy: -188.359 flat angles P-C4'-P energy: -124.211 tors. eta vs tors. theta energy: -194.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2319.704141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.704141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.704141 (E_RNA) where: Base-Base interactions energy: -1529.925 where: short stacking energy: -689.019 Base-Backbone interact. energy: 1.398 local terms energy: -791.177694 where: bonds (distance) C4'-P energy: -161.424 bonds (distance) P-C4' energy: -155.713 flat angles C4'-P-C4' energy: -168.177 flat angles P-C4'-P energy: -112.761 tors. eta vs tors. theta energy: -193.103 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: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2207.947147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.947147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.947147 (E_RNA) where: Base-Base interactions energy: -1431.527 where: short stacking energy: -624.316 Base-Backbone interact. energy: -3.610 local terms energy: -772.810848 where: bonds (distance) C4'-P energy: -170.386 bonds (distance) P-C4' energy: -169.589 flat angles C4'-P-C4' energy: -165.525 flat angles P-C4'-P energy: -102.673 tors. eta vs tors. theta energy: -164.637 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: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1828.134576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.134576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.134576 (E_RNA) where: Base-Base interactions energy: -1131.399 where: short stacking energy: -519.168 Base-Backbone interact. energy: 3.878 local terms energy: -700.614373 where: bonds (distance) C4'-P energy: -166.025 bonds (distance) P-C4' energy: -179.775 flat angles C4'-P-C4' energy: -163.437 flat angles P-C4'-P energy: -83.481 tors. eta vs tors. theta energy: -107.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1641.087796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.087796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.087796 (E_RNA) where: Base-Base interactions energy: -1034.619 where: short stacking energy: -468.442 Base-Backbone interact. energy: 3.628 local terms energy: -610.096674 where: bonds (distance) C4'-P energy: -146.631 bonds (distance) P-C4' energy: -160.207 flat angles C4'-P-C4' energy: -144.538 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -80.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1134.369901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.369901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.369901 (E_RNA) where: Base-Base interactions energy: -583.328 where: short stacking energy: -311.351 Base-Backbone interact. energy: 0.132 local terms energy: -551.173673 where: bonds (distance) C4'-P energy: -169.012 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -148.430 flat angles P-C4'-P energy: -83.883 tors. eta vs tors. theta energy: 8.916 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: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -934.029912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.029912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.029912 (E_RNA) where: Base-Base interactions energy: -424.857 where: short stacking energy: -256.076 Base-Backbone interact. energy: -1.705 local terms energy: -507.468144 where: bonds (distance) C4'-P energy: -149.531 bonds (distance) P-C4' energy: -140.168 flat angles C4'-P-C4' energy: -139.980 flat angles P-C4'-P energy: -76.003 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -741.608540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.608540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.608540 (E_RNA) where: Base-Base interactions energy: -277.080 where: short stacking energy: -197.586 Base-Backbone interact. energy: 7.241 local terms energy: -471.769034 where: bonds (distance) C4'-P energy: -131.124 bonds (distance) P-C4' energy: -163.350 flat angles C4'-P-C4' energy: -131.091 flat angles P-C4'-P energy: -75.490 tors. eta vs tors. theta energy: 29.286 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: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2713.091761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.091761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.091761 (E_RNA) where: Base-Base interactions energy: -1764.376 where: short stacking energy: -823.785 Base-Backbone interact. energy: -1.598 local terms energy: -947.117164 where: bonds (distance) C4'-P energy: -181.624 bonds (distance) P-C4' energy: -189.477 flat angles C4'-P-C4' energy: -210.240 flat angles P-C4'-P energy: -132.260 tors. eta vs tors. theta energy: -233.516 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: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2622.349318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.349318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.349318 (E_RNA) where: Base-Base interactions energy: -1717.808 where: short stacking energy: -795.683 Base-Backbone interact. energy: -4.244 local terms energy: -900.297024 where: bonds (distance) C4'-P energy: -186.358 bonds (distance) P-C4' energy: -186.510 flat angles C4'-P-C4' energy: -186.967 flat angles P-C4'-P energy: -126.330 tors. eta vs tors. theta energy: -214.133 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: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2521.138875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.138875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.138875 (E_RNA) where: Base-Base interactions energy: -1633.933 where: short stacking energy: -703.307 Base-Backbone interact. energy: -4.794 local terms energy: -882.412407 where: bonds (distance) C4'-P energy: -181.757 bonds (distance) P-C4' energy: -182.604 flat angles C4'-P-C4' energy: -189.780 flat angles P-C4'-P energy: -128.194 tors. eta vs tors. theta energy: -200.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2360.512353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.512353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.512353 (E_RNA) where: Base-Base interactions energy: -1505.308 where: short stacking energy: -689.247 Base-Backbone interact. energy: -3.565 local terms energy: -851.639767 where: bonds (distance) C4'-P energy: -176.976 bonds (distance) P-C4' energy: -174.171 flat angles C4'-P-C4' energy: -189.562 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -191.884 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: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2255.285839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.285839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.285839 (E_RNA) where: Base-Base interactions energy: -1470.033 where: short stacking energy: -673.404 Base-Backbone interact. energy: -1.316 local terms energy: -783.936225 where: bonds (distance) C4'-P energy: -160.402 bonds (distance) P-C4' energy: -162.425 flat angles C4'-P-C4' energy: -164.459 flat angles P-C4'-P energy: -97.926 tors. eta vs tors. theta energy: -198.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1847.979636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.979636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.979636 (E_RNA) where: Base-Base interactions energy: -1134.808 where: short stacking energy: -561.133 Base-Backbone interact. energy: -3.471 local terms energy: -709.700756 where: bonds (distance) C4'-P energy: -146.589 bonds (distance) P-C4' energy: -148.804 flat angles C4'-P-C4' energy: -160.136 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -145.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1644.790739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.790739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.790739 (E_RNA) where: Base-Base interactions energy: -996.111 where: short stacking energy: -462.240 Base-Backbone interact. energy: -1.642 local terms energy: -647.037144 where: bonds (distance) C4'-P energy: -145.607 bonds (distance) P-C4' energy: -158.352 flat angles C4'-P-C4' energy: -174.799 flat angles P-C4'-P energy: -87.367 tors. eta vs tors. theta energy: -80.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1343.342609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.342609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.342609 (E_RNA) where: Base-Base interactions energy: -751.524 where: short stacking energy: -417.636 Base-Backbone interact. energy: -1.229 local terms energy: -590.589291 where: bonds (distance) C4'-P energy: -131.099 bonds (distance) P-C4' energy: -156.252 flat angles C4'-P-C4' energy: -143.668 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -67.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -873.143689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.143689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.143689 (E_RNA) where: Base-Base interactions energy: -372.986 where: short stacking energy: -271.656 Base-Backbone interact. energy: -2.717 local terms energy: -497.440437 where: bonds (distance) C4'-P energy: -138.612 bonds (distance) P-C4' energy: -150.470 flat angles C4'-P-C4' energy: -140.632 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -4.414 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: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -687.374446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.374446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.374446 (E_RNA) where: Base-Base interactions energy: -259.015 where: short stacking energy: -202.596 Base-Backbone interact. energy: -1.896 local terms energy: -426.463438 where: bonds (distance) C4'-P energy: -148.036 bonds (distance) P-C4' energy: -132.484 flat angles C4'-P-C4' energy: -113.465 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: 37.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2736.046454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.046454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.046454 (E_RNA) where: Base-Base interactions energy: -1789.068 where: short stacking energy: -819.973 Base-Backbone interact. energy: -1.438 local terms energy: -945.541008 where: bonds (distance) C4'-P energy: -181.232 bonds (distance) P-C4' energy: -184.503 flat angles C4'-P-C4' energy: -205.937 flat angles P-C4'-P energy: -129.604 tors. eta vs tors. theta energy: -244.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2635.388705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.388705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.388705 (E_RNA) where: Base-Base interactions energy: -1738.430 where: short stacking energy: -766.356 Base-Backbone interact. energy: -1.763 local terms energy: -895.195696 where: bonds (distance) C4'-P energy: -177.118 bonds (distance) P-C4' energy: -181.048 flat angles C4'-P-C4' energy: -191.191 flat angles P-C4'-P energy: -129.575 tors. eta vs tors. theta energy: -216.264 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: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2516.816397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.816397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.816397 (E_RNA) where: Base-Base interactions energy: -1655.802 where: short stacking energy: -731.613 Base-Backbone interact. energy: 0.046 local terms energy: -861.059630 where: bonds (distance) C4'-P energy: -161.384 bonds (distance) P-C4' energy: -181.038 flat angles C4'-P-C4' energy: -208.696 flat angles P-C4'-P energy: -113.215 tors. eta vs tors. theta energy: -196.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2318.216628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.216628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.216628 (E_RNA) where: Base-Base interactions energy: -1496.642 where: short stacking energy: -688.140 Base-Backbone interact. energy: -2.745 local terms energy: -818.828939 where: bonds (distance) C4'-P energy: -170.725 bonds (distance) P-C4' energy: -159.543 flat angles C4'-P-C4' energy: -185.348 flat angles P-C4'-P energy: -111.893 tors. eta vs tors. theta energy: -191.321 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: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2255.536153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.536153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.536153 (E_RNA) where: Base-Base interactions energy: -1476.802 where: short stacking energy: -685.871 Base-Backbone interact. energy: -0.874 local terms energy: -777.859621 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -164.567 flat angles C4'-P-C4' energy: -182.356 flat angles P-C4'-P energy: -103.086 tors. eta vs tors. theta energy: -180.086 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: 71 Temperature: 1.150000 Total energy: -1777.618481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.618481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.618481 (E_RNA) where: Base-Base interactions energy: -1043.980 where: short stacking energy: -512.609 Base-Backbone interact. energy: 2.430 local terms energy: -736.068555 where: bonds (distance) C4'-P energy: -159.844 bonds (distance) P-C4' energy: -150.170 flat angles C4'-P-C4' energy: -168.750 flat angles P-C4'-P energy: -129.856 tors. eta vs tors. theta energy: -127.448 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: 71 Temperature: 1.200000 Total energy: -1624.476828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.476828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.476828 (E_RNA) where: Base-Base interactions energy: -978.315 where: short stacking energy: -470.685 Base-Backbone interact. energy: -2.303 local terms energy: -643.858687 where: bonds (distance) C4'-P energy: -155.682 bonds (distance) P-C4' energy: -127.894 flat angles C4'-P-C4' energy: -171.768 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -96.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1274.660569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.660569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.660569 (E_RNA) where: Base-Base interactions energy: -698.632 where: short stacking energy: -342.754 Base-Backbone interact. energy: 1.559 local terms energy: -577.587273 where: bonds (distance) C4'-P energy: -142.765 bonds (distance) P-C4' energy: -167.009 flat angles C4'-P-C4' energy: -155.924 flat angles P-C4'-P energy: -77.222 tors. eta vs tors. theta energy: -34.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -826.055777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.055777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.055777 (E_RNA) where: Base-Base interactions energy: -343.031 where: short stacking energy: -229.635 Base-Backbone interact. energy: 3.139 local terms energy: -486.163885 where: bonds (distance) C4'-P energy: -141.100 bonds (distance) P-C4' energy: -158.837 flat angles C4'-P-C4' energy: -135.853 flat angles P-C4'-P energy: -62.943 tors. eta vs tors. theta energy: 12.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -670.132352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.132352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.132352 (E_RNA) where: Base-Base interactions energy: -277.215 where: short stacking energy: -203.520 Base-Backbone interact. energy: 3.295 local terms energy: -396.211777 where: bonds (distance) C4'-P energy: -115.064 bonds (distance) P-C4' energy: -138.886 flat angles C4'-P-C4' energy: -146.830 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: 56.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2711.908949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.908949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.908949 (E_RNA) where: Base-Base interactions energy: -1780.394 where: short stacking energy: -831.001 Base-Backbone interact. energy: -3.722 local terms energy: -927.793207 where: bonds (distance) C4'-P energy: -186.932 bonds (distance) P-C4' energy: -171.114 flat angles C4'-P-C4' energy: -210.706 flat angles P-C4'-P energy: -120.553 tors. eta vs tors. theta energy: -238.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2697.868836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.868836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.868836 (E_RNA) where: Base-Base interactions energy: -1771.132 where: short stacking energy: -803.831 Base-Backbone interact. energy: 0.868 local terms energy: -927.604901 where: bonds (distance) C4'-P energy: -174.704 bonds (distance) P-C4' energy: -182.804 flat angles C4'-P-C4' energy: -213.326 flat angles P-C4'-P energy: -126.733 tors. eta vs tors. theta energy: -230.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2549.405234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.405234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.405234 (E_RNA) where: Base-Base interactions energy: -1666.244 where: short stacking energy: -723.246 Base-Backbone interact. energy: -0.925 local terms energy: -882.236703 where: bonds (distance) C4'-P energy: -169.212 bonds (distance) P-C4' energy: -185.461 flat angles C4'-P-C4' energy: -204.694 flat angles P-C4'-P energy: -122.839 tors. eta vs tors. theta energy: -200.030 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2325.502524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.502524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.502524 (E_RNA) where: Base-Base interactions energy: -1503.349 where: short stacking energy: -667.979 Base-Backbone interact. energy: -1.391 local terms energy: -820.762620 where: bonds (distance) C4'-P energy: -170.397 bonds (distance) P-C4' energy: -144.713 flat angles C4'-P-C4' energy: -194.523 flat angles P-C4'-P energy: -121.098 tors. eta vs tors. theta energy: -190.032 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: 72 Temperature: 1.100000 Total energy: -2230.641013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.641013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.641013 (E_RNA) where: Base-Base interactions energy: -1435.093 where: short stacking energy: -681.185 Base-Backbone interact. energy: -3.372 local terms energy: -792.175503 where: bonds (distance) C4'-P energy: -154.477 bonds (distance) P-C4' energy: -165.919 flat angles C4'-P-C4' energy: -169.883 flat angles P-C4'-P energy: -107.296 tors. eta vs tors. theta energy: -194.600 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: 72 Temperature: 1.150000 Total energy: -1881.542022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.542022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.542022 (E_RNA) where: Base-Base interactions energy: -1172.210 where: short stacking energy: -546.345 Base-Backbone interact. energy: 2.184 local terms energy: -711.515570 where: bonds (distance) C4'-P energy: -158.414 bonds (distance) P-C4' energy: -172.887 flat angles C4'-P-C4' energy: -181.051 flat angles P-C4'-P energy: -82.962 tors. eta vs tors. theta energy: -116.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1638.660618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.660618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.660618 (E_RNA) where: Base-Base interactions energy: -1003.146 where: short stacking energy: -489.654 Base-Backbone interact. energy: -2.172 local terms energy: -633.342251 where: bonds (distance) C4'-P energy: -169.128 bonds (distance) P-C4' energy: -125.582 flat angles C4'-P-C4' energy: -171.521 flat angles P-C4'-P energy: -68.928 tors. eta vs tors. theta energy: -98.184 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: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1284.533646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.533646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.533646 (E_RNA) where: Base-Base interactions energy: -740.904 where: short stacking energy: -363.819 Base-Backbone interact. energy: 10.416 local terms energy: -554.046204 where: bonds (distance) C4'-P energy: -157.636 bonds (distance) P-C4' energy: -138.815 flat angles C4'-P-C4' energy: -144.703 flat angles P-C4'-P energy: -76.875 tors. eta vs tors. theta energy: -36.017 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: 72 Temperature: 1.300000 Total energy: -818.196424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.196424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.196424 (E_RNA) where: Base-Base interactions energy: -352.678 where: short stacking energy: -222.887 Base-Backbone interact. energy: 2.866 local terms energy: -468.384400 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -165.409 flat angles C4'-P-C4' energy: -125.621 flat angles P-C4'-P energy: -69.901 tors. eta vs tors. theta energy: 20.945 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: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -805.003352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.003352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.003352 (E_RNA) where: Base-Base interactions energy: -355.635 where: short stacking energy: -240.102 Base-Backbone interact. energy: 6.769 local terms energy: -456.136793 where: bonds (distance) C4'-P energy: -149.024 bonds (distance) P-C4' energy: -171.593 flat angles C4'-P-C4' energy: -97.906 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: 34.154 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: 73 Temperature: 0.900000 Total energy: -2710.621340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.621340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.621340 (E_RNA) where: Base-Base interactions energy: -1783.227 where: short stacking energy: -821.990 Base-Backbone interact. energy: -1.027 local terms energy: -926.366911 where: bonds (distance) C4'-P energy: -187.862 bonds (distance) P-C4' energy: -179.441 flat angles C4'-P-C4' energy: -203.593 flat angles P-C4'-P energy: -126.948 tors. eta vs tors. theta energy: -228.523 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: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2686.997543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.997543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.997543 (E_RNA) where: Base-Base interactions energy: -1791.485 where: short stacking energy: -832.520 Base-Backbone interact. energy: -0.541 local terms energy: -894.971281 where: bonds (distance) C4'-P energy: -172.144 bonds (distance) P-C4' energy: -177.938 flat angles C4'-P-C4' energy: -201.566 flat angles P-C4'-P energy: -111.292 tors. eta vs tors. theta energy: -232.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2573.386177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.386177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.386177 (E_RNA) where: Base-Base interactions energy: -1702.713 where: short stacking energy: -723.161 Base-Backbone interact. energy: -4.757 local terms energy: -865.916323 where: bonds (distance) C4'-P energy: -168.970 bonds (distance) P-C4' energy: -173.055 flat angles C4'-P-C4' energy: -190.745 flat angles P-C4'-P energy: -128.451 tors. eta vs tors. theta energy: -204.695 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2362.878153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.878153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.878153 (E_RNA) where: Base-Base interactions energy: -1528.654 where: short stacking energy: -713.578 Base-Backbone interact. energy: -3.121 local terms energy: -831.102611 where: bonds (distance) C4'-P energy: -172.692 bonds (distance) P-C4' energy: -181.963 flat angles C4'-P-C4' energy: -189.909 flat angles P-C4'-P energy: -100.537 tors. eta vs tors. theta energy: -186.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2221.551788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.551788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.551788 (E_RNA) where: Base-Base interactions energy: -1454.556 where: short stacking energy: -658.126 Base-Backbone interact. energy: -1.847 local terms energy: -765.148988 where: bonds (distance) C4'-P energy: -142.586 bonds (distance) P-C4' energy: -170.413 flat angles C4'-P-C4' energy: -176.869 flat angles P-C4'-P energy: -100.541 tors. eta vs tors. theta energy: -174.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1895.019542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.019542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.019542 (E_RNA) where: Base-Base interactions energy: -1195.350 where: short stacking energy: -533.102 Base-Backbone interact. energy: -5.469 local terms energy: -694.200673 where: bonds (distance) C4'-P energy: -146.867 bonds (distance) P-C4' energy: -165.160 flat angles C4'-P-C4' energy: -166.741 flat angles P-C4'-P energy: -84.890 tors. eta vs tors. theta energy: -130.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1665.548652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.548652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.548652 (E_RNA) where: Base-Base interactions energy: -990.842 where: short stacking energy: -480.982 Base-Backbone interact. energy: 0.562 local terms energy: -675.269139 where: bonds (distance) C4'-P energy: -149.080 bonds (distance) P-C4' energy: -156.957 flat angles C4'-P-C4' energy: -163.346 flat angles P-C4'-P energy: -100.903 tors. eta vs tors. theta energy: -104.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1296.688134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.688134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.688134 (E_RNA) where: Base-Base interactions energy: -749.342 where: short stacking energy: -373.010 Base-Backbone interact. energy: -2.506 local terms energy: -544.840832 where: bonds (distance) C4'-P energy: -151.856 bonds (distance) P-C4' energy: -149.462 flat angles C4'-P-C4' energy: -143.502 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -37.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -741.516308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.516308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.516308 (E_RNA) where: Base-Base interactions energy: -258.539 where: short stacking energy: -199.751 Base-Backbone interact. energy: -2.948 local terms energy: -480.028574 where: bonds (distance) C4'-P energy: -135.241 bonds (distance) P-C4' energy: -171.528 flat angles C4'-P-C4' energy: -145.404 flat angles P-C4'-P energy: -74.242 tors. eta vs tors. theta energy: 46.387 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: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -735.831363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.831363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.831363 (E_RNA) where: Base-Base interactions energy: -289.470 where: short stacking energy: -183.334 Base-Backbone interact. energy: -0.816 local terms energy: -445.545898 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -141.485 flat angles C4'-P-C4' energy: -134.253 flat angles P-C4'-P energy: -80.885 tors. eta vs tors. theta energy: 44.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2727.822518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.822518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.822518 (E_RNA) where: Base-Base interactions energy: -1805.480 where: short stacking energy: -813.449 Base-Backbone interact. energy: -0.760 local terms energy: -921.583165 where: bonds (distance) C4'-P energy: -187.412 bonds (distance) P-C4' energy: -177.973 flat angles C4'-P-C4' energy: -210.636 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -225.506 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: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2700.606223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.606223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.606223 (E_RNA) where: Base-Base interactions energy: -1762.097 where: short stacking energy: -831.604 Base-Backbone interact. energy: -1.584 local terms energy: -936.925114 where: bonds (distance) C4'-P energy: -178.349 bonds (distance) P-C4' energy: -169.392 flat angles C4'-P-C4' energy: -218.209 flat angles P-C4'-P energy: -130.826 tors. eta vs tors. theta energy: -240.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2565.755990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.755990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.755990 (E_RNA) where: Base-Base interactions energy: -1704.632 where: short stacking energy: -746.913 Base-Backbone interact. energy: -7.687 local terms energy: -853.437735 where: bonds (distance) C4'-P energy: -167.754 bonds (distance) P-C4' energy: -180.996 flat angles C4'-P-C4' energy: -182.927 flat angles P-C4'-P energy: -126.977 tors. eta vs tors. theta energy: -194.783 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: 74 Temperature: 1.050000 Total energy: -2304.435948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.435948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.435948 (E_RNA) where: Base-Base interactions energy: -1505.448 where: short stacking energy: -678.494 Base-Backbone interact. energy: -2.978 local terms energy: -796.009905 where: bonds (distance) C4'-P energy: -162.589 bonds (distance) P-C4' energy: -147.563 flat angles C4'-P-C4' energy: -179.275 flat angles P-C4'-P energy: -118.091 tors. eta vs tors. theta energy: -188.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2214.329895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.329895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.329895 (E_RNA) where: Base-Base interactions energy: -1427.551 where: short stacking energy: -666.850 Base-Backbone interact. energy: -2.801 local terms energy: -783.977657 where: bonds (distance) C4'-P energy: -154.175 bonds (distance) P-C4' energy: -148.374 flat angles C4'-P-C4' energy: -184.748 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -188.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1911.874325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.874325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.874325 (E_RNA) where: Base-Base interactions energy: -1215.974 where: short stacking energy: -548.162 Base-Backbone interact. energy: -1.482 local terms energy: -694.418692 where: bonds (distance) C4'-P energy: -139.588 bonds (distance) P-C4' energy: -154.983 flat angles C4'-P-C4' energy: -167.598 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -128.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1611.644346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.644346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.644346 (E_RNA) where: Base-Base interactions energy: -951.229 where: short stacking energy: -437.180 Base-Backbone interact. energy: -0.248 local terms energy: -660.167184 where: bonds (distance) C4'-P energy: -168.875 bonds (distance) P-C4' energy: -166.747 flat angles C4'-P-C4' energy: -135.277 flat angles P-C4'-P energy: -98.602 tors. eta vs tors. theta energy: -90.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1268.279351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.279351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.279351 (E_RNA) where: Base-Base interactions energy: -680.766 where: short stacking energy: -331.593 Base-Backbone interact. energy: 2.341 local terms energy: -589.854325 where: bonds (distance) C4'-P energy: -145.497 bonds (distance) P-C4' energy: -168.592 flat angles C4'-P-C4' energy: -152.555 flat angles P-C4'-P energy: -103.599 tors. eta vs tors. theta energy: -19.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -781.141501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.141501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.141501 (E_RNA) where: Base-Base interactions energy: -308.802 where: short stacking energy: -218.258 Base-Backbone interact. energy: -4.679 local terms energy: -467.660697 where: bonds (distance) C4'-P energy: -151.345 bonds (distance) P-C4' energy: -144.050 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: 12.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -769.959063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.959063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.959063 (E_RNA) where: Base-Base interactions energy: -338.560 where: short stacking energy: -209.831 Base-Backbone interact. energy: 10.879 local terms energy: -442.277448 where: bonds (distance) C4'-P energy: -142.985 bonds (distance) P-C4' energy: -163.120 flat angles C4'-P-C4' energy: -96.671 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: 38.707 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: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2722.319386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.319386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.319386 (E_RNA) where: Base-Base interactions energy: -1788.662 where: short stacking energy: -798.666 Base-Backbone interact. energy: 3.096 local terms energy: -936.753539 where: bonds (distance) C4'-P energy: -196.439 bonds (distance) P-C4' energy: -185.288 flat angles C4'-P-C4' energy: -201.097 flat angles P-C4'-P energy: -130.428 tors. eta vs tors. theta energy: -223.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2710.862120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.862120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.862120 (E_RNA) where: Base-Base interactions energy: -1801.428 where: short stacking energy: -796.221 Base-Backbone interact. energy: -2.505 local terms energy: -906.929209 where: bonds (distance) C4'-P energy: -162.785 bonds (distance) P-C4' energy: -185.394 flat angles C4'-P-C4' energy: -197.152 flat angles P-C4'-P energy: -131.274 tors. eta vs tors. theta energy: -230.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2502.791549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.791549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.791549 (E_RNA) where: Base-Base interactions energy: -1668.274 where: short stacking energy: -719.257 Base-Backbone interact. energy: -5.585 local terms energy: -828.932546 where: bonds (distance) C4'-P energy: -159.935 bonds (distance) P-C4' energy: -168.653 flat angles C4'-P-C4' energy: -188.008 flat angles P-C4'-P energy: -113.720 tors. eta vs tors. theta energy: -198.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2320.287065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.287065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.287065 (E_RNA) where: Base-Base interactions energy: -1502.071 where: short stacking energy: -697.885 Base-Backbone interact. energy: -0.840 local terms energy: -817.376350 where: bonds (distance) C4'-P energy: -162.048 bonds (distance) P-C4' energy: -184.854 flat angles C4'-P-C4' energy: -171.270 flat angles P-C4'-P energy: -106.026 tors. eta vs tors. theta energy: -193.179 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: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2188.092805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.092805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.092805 (E_RNA) where: Base-Base interactions energy: -1410.107 where: short stacking energy: -636.024 Base-Backbone interact. energy: 0.119 local terms energy: -778.105108 where: bonds (distance) C4'-P energy: -158.661 bonds (distance) P-C4' energy: -170.032 flat angles C4'-P-C4' energy: -177.929 flat angles P-C4'-P energy: -113.689 tors. eta vs tors. theta energy: -157.794 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1864.987773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.987773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.987773 (E_RNA) where: Base-Base interactions energy: -1151.042 where: short stacking energy: -551.493 Base-Backbone interact. energy: 1.429 local terms energy: -715.374804 where: bonds (distance) C4'-P energy: -157.300 bonds (distance) P-C4' energy: -162.518 flat angles C4'-P-C4' energy: -172.561 flat angles P-C4'-P energy: -99.028 tors. eta vs tors. theta energy: -123.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1581.886764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.886764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.886764 (E_RNA) where: Base-Base interactions energy: -952.234 where: short stacking energy: -434.196 Base-Backbone interact. energy: 0.095 local terms energy: -629.747070 where: bonds (distance) C4'-P energy: -142.541 bonds (distance) P-C4' energy: -148.268 flat angles C4'-P-C4' energy: -161.039 flat angles P-C4'-P energy: -95.477 tors. eta vs tors. theta energy: -82.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1161.249890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.249890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.249890 (E_RNA) where: Base-Base interactions energy: -596.369 where: short stacking energy: -329.891 Base-Backbone interact. energy: -2.991 local terms energy: -561.889778 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -154.647 flat angles C4'-P-C4' energy: -158.098 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -23.643 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: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -766.424950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.424950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.424950 (E_RNA) where: Base-Base interactions energy: -284.338 where: short stacking energy: -195.274 Base-Backbone interact. energy: 0.890 local terms energy: -482.976547 where: bonds (distance) C4'-P energy: -139.144 bonds (distance) P-C4' energy: -176.758 flat angles C4'-P-C4' energy: -119.025 flat angles P-C4'-P energy: -80.221 tors. eta vs tors. theta energy: 32.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -753.466520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.466520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.466520 (E_RNA) where: Base-Base interactions energy: -292.094 where: short stacking energy: -167.032 Base-Backbone interact. energy: 5.243 local terms energy: -466.614829 where: bonds (distance) C4'-P energy: -146.063 bonds (distance) P-C4' energy: -165.258 flat angles C4'-P-C4' energy: -134.147 flat angles P-C4'-P energy: -61.954 tors. eta vs tors. theta energy: 40.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2760.639104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.639104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.639104 (E_RNA) where: Base-Base interactions energy: -1813.351 where: short stacking energy: -805.432 Base-Backbone interact. energy: -3.675 local terms energy: -943.612901 where: bonds (distance) C4'-P energy: -196.828 bonds (distance) P-C4' energy: -186.933 flat angles C4'-P-C4' energy: -196.409 flat angles P-C4'-P energy: -136.973 tors. eta vs tors. theta energy: -226.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2649.907772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.907772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.907772 (E_RNA) where: Base-Base interactions energy: -1763.754 where: short stacking energy: -810.529 Base-Backbone interact. energy: -2.032 local terms energy: -884.121753 where: bonds (distance) C4'-P energy: -172.028 bonds (distance) P-C4' energy: -190.874 flat angles C4'-P-C4' energy: -193.652 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -225.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2550.899761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.899761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.899761 (E_RNA) where: Base-Base interactions energy: -1657.325 where: short stacking energy: -761.883 Base-Backbone interact. energy: 0.310 local terms energy: -893.885455 where: bonds (distance) C4'-P energy: -166.730 bonds (distance) P-C4' energy: -195.706 flat angles C4'-P-C4' energy: -202.654 flat angles P-C4'-P energy: -110.731 tors. eta vs tors. theta energy: -218.065 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: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2328.509376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.509376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.509376 (E_RNA) where: Base-Base interactions energy: -1511.961 where: short stacking energy: -676.378 Base-Backbone interact. energy: -4.125 local terms energy: -812.422884 where: bonds (distance) C4'-P energy: -153.067 bonds (distance) P-C4' energy: -174.980 flat angles C4'-P-C4' energy: -181.381 flat angles P-C4'-P energy: -114.036 tors. eta vs tors. theta energy: -188.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2241.388204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.388204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.388204 (E_RNA) where: Base-Base interactions energy: -1430.443 where: short stacking energy: -687.751 Base-Backbone interact. energy: -5.075 local terms energy: -805.869824 where: bonds (distance) C4'-P energy: -151.813 bonds (distance) P-C4' energy: -164.139 flat angles C4'-P-C4' energy: -175.611 flat angles P-C4'-P energy: -111.542 tors. eta vs tors. theta energy: -202.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1938.999461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.999461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.999461 (E_RNA) where: Base-Base interactions energy: -1186.892 where: short stacking energy: -564.251 Base-Backbone interact. energy: 2.207 local terms energy: -754.314662 where: bonds (distance) C4'-P energy: -163.348 bonds (distance) P-C4' energy: -173.835 flat angles C4'-P-C4' energy: -168.297 flat angles P-C4'-P energy: -100.546 tors. eta vs tors. theta energy: -148.289 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: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1660.304248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.304248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.304248 (E_RNA) where: Base-Base interactions energy: -980.547 where: short stacking energy: -488.319 Base-Backbone interact. energy: -0.284 local terms energy: -679.473709 where: bonds (distance) C4'-P energy: -161.076 bonds (distance) P-C4' energy: -161.585 flat angles C4'-P-C4' energy: -156.092 flat angles P-C4'-P energy: -102.848 tors. eta vs tors. theta energy: -97.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1135.194434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.194434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.194434 (E_RNA) where: Base-Base interactions energy: -544.245 where: short stacking energy: -304.662 Base-Backbone interact. energy: -0.127 local terms energy: -590.822512 where: bonds (distance) C4'-P energy: -164.030 bonds (distance) P-C4' energy: -146.897 flat angles C4'-P-C4' energy: -149.464 flat angles P-C4'-P energy: -102.236 tors. eta vs tors. theta energy: -28.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -790.099293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.099293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.099293 (E_RNA) where: Base-Base interactions energy: -332.283 where: short stacking energy: -238.810 Base-Backbone interact. energy: 5.942 local terms energy: -463.758860 where: bonds (distance) C4'-P energy: -149.625 bonds (distance) P-C4' energy: -142.966 flat angles C4'-P-C4' energy: -148.214 flat angles P-C4'-P energy: -55.928 tors. eta vs tors. theta energy: 32.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -741.416235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.416235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.416235 (E_RNA) where: Base-Base interactions energy: -330.669 where: short stacking energy: -212.745 Base-Backbone interact. energy: -1.723 local terms energy: -409.024198 where: bonds (distance) C4'-P energy: -120.620 bonds (distance) P-C4' energy: -151.615 flat angles C4'-P-C4' energy: -97.712 flat angles P-C4'-P energy: -74.280 tors. eta vs tors. theta energy: 35.202 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: 77 Temperature: 0.900000 Total energy: -2793.983835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.983835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.983835 (E_RNA) where: Base-Base interactions energy: -1848.545 where: short stacking energy: -858.846 Base-Backbone interact. energy: 0.734 local terms energy: -946.173425 where: bonds (distance) C4'-P energy: -180.761 bonds (distance) P-C4' energy: -187.819 flat angles C4'-P-C4' energy: -211.385 flat angles P-C4'-P energy: -122.149 tors. eta vs tors. theta energy: -244.059 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: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2652.062670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.062670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.062670 (E_RNA) where: Base-Base interactions energy: -1764.875 where: short stacking energy: -778.580 Base-Backbone interact. energy: -1.476 local terms energy: -885.711354 where: bonds (distance) C4'-P energy: -169.858 bonds (distance) P-C4' energy: -192.280 flat angles C4'-P-C4' energy: -196.136 flat angles P-C4'-P energy: -125.092 tors. eta vs tors. theta energy: -202.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2459.454365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.454365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.454365 (E_RNA) where: Base-Base interactions energy: -1606.614 where: short stacking energy: -738.337 Base-Backbone interact. energy: -5.515 local terms energy: -847.325232 where: bonds (distance) C4'-P energy: -168.382 bonds (distance) P-C4' energy: -172.264 flat angles C4'-P-C4' energy: -192.767 flat angles P-C4'-P energy: -115.943 tors. eta vs tors. theta energy: -197.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2351.443839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.443839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.443839 (E_RNA) where: Base-Base interactions energy: -1528.487 where: short stacking energy: -669.406 Base-Backbone interact. energy: -2.660 local terms energy: -820.296875 where: bonds (distance) C4'-P energy: -158.884 bonds (distance) P-C4' energy: -174.748 flat angles C4'-P-C4' energy: -181.697 flat angles P-C4'-P energy: -118.456 tors. eta vs tors. theta energy: -186.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2275.167681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.167681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.167681 (E_RNA) where: Base-Base interactions energy: -1455.968 where: short stacking energy: -683.032 Base-Backbone interact. energy: 0.536 local terms energy: -819.736016 where: bonds (distance) C4'-P energy: -160.946 bonds (distance) P-C4' energy: -163.201 flat angles C4'-P-C4' energy: -184.101 flat angles P-C4'-P energy: -117.144 tors. eta vs tors. theta energy: -194.345 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: 77 Temperature: 1.150000 Total energy: -2008.222992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.222992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.222992 (E_RNA) where: Base-Base interactions energy: -1290.760 where: short stacking energy: -595.642 Base-Backbone interact. energy: 1.260 local terms energy: -718.723379 where: bonds (distance) C4'-P energy: -147.500 bonds (distance) P-C4' energy: -162.675 flat angles C4'-P-C4' energy: -165.117 flat angles P-C4'-P energy: -102.478 tors. eta vs tors. theta energy: -140.953 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: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1660.407928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.407928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.407928 (E_RNA) where: Base-Base interactions energy: -982.239 where: short stacking energy: -481.795 Base-Backbone interact. energy: 0.401 local terms energy: -678.569375 where: bonds (distance) C4'-P energy: -158.070 bonds (distance) P-C4' energy: -173.891 flat angles C4'-P-C4' energy: -168.901 flat angles P-C4'-P energy: -101.959 tors. eta vs tors. theta energy: -75.747 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: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1189.259763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.259763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.259763 (E_RNA) where: Base-Base interactions energy: -652.185 where: short stacking energy: -387.234 Base-Backbone interact. energy: 0.995 local terms energy: -538.069399 where: bonds (distance) C4'-P energy: -129.272 bonds (distance) P-C4' energy: -132.470 flat angles C4'-P-C4' energy: -142.013 flat angles P-C4'-P energy: -94.461 tors. eta vs tors. theta energy: -39.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -791.304338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.304338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.304338 (E_RNA) where: Base-Base interactions energy: -326.047 where: short stacking energy: -233.260 Base-Backbone interact. energy: 1.888 local terms energy: -467.145101 where: bonds (distance) C4'-P energy: -130.400 bonds (distance) P-C4' energy: -164.610 flat angles C4'-P-C4' energy: -130.974 flat angles P-C4'-P energy: -51.628 tors. eta vs tors. theta energy: 10.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -762.340424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.340424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.340424 (E_RNA) where: Base-Base interactions energy: -304.271 where: short stacking energy: -189.475 Base-Backbone interact. energy: -0.826 local terms energy: -457.244179 where: bonds (distance) C4'-P energy: -150.378 bonds (distance) P-C4' energy: -162.530 flat angles C4'-P-C4' energy: -127.926 flat angles P-C4'-P energy: -68.992 tors. eta vs tors. theta energy: 52.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2807.838664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.838664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.838664 (E_RNA) where: Base-Base interactions energy: -1870.842 where: short stacking energy: -876.400 Base-Backbone interact. energy: 4.994 local terms energy: -941.990444 where: bonds (distance) C4'-P energy: -178.273 bonds (distance) P-C4' energy: -181.242 flat angles C4'-P-C4' energy: -204.395 flat angles P-C4'-P energy: -127.946 tors. eta vs tors. theta energy: -250.134 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: 78 Temperature: 0.950000 Total energy: -2616.864891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.864891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.864891 (E_RNA) where: Base-Base interactions energy: -1741.422 where: short stacking energy: -803.193 Base-Backbone interact. energy: 1.253 local terms energy: -876.695059 where: bonds (distance) C4'-P energy: -168.265 bonds (distance) P-C4' energy: -171.119 flat angles C4'-P-C4' energy: -200.673 flat angles P-C4'-P energy: -110.881 tors. eta vs tors. theta energy: -225.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2489.409574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.409574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.409574 (E_RNA) where: Base-Base interactions energy: -1656.610 where: short stacking energy: -737.289 Base-Backbone interact. energy: -2.321 local terms energy: -830.479125 where: bonds (distance) C4'-P energy: -159.574 bonds (distance) P-C4' energy: -179.485 flat angles C4'-P-C4' energy: -191.395 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -191.645 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2372.309436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.309436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.309436 (E_RNA) where: Base-Base interactions energy: -1517.043 where: short stacking energy: -689.719 Base-Backbone interact. energy: -0.152 local terms energy: -855.115190 where: bonds (distance) C4'-P energy: -191.337 bonds (distance) P-C4' energy: -186.103 flat angles C4'-P-C4' energy: -172.157 flat angles P-C4'-P energy: -106.985 tors. eta vs tors. theta energy: -198.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2238.759788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.759788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.759788 (E_RNA) where: Base-Base interactions energy: -1449.073 where: short stacking energy: -700.285 Base-Backbone interact. energy: 0.413 local terms energy: -790.099476 where: bonds (distance) C4'-P energy: -162.529 bonds (distance) P-C4' energy: -156.268 flat angles C4'-P-C4' energy: -184.515 flat angles P-C4'-P energy: -94.021 tors. eta vs tors. theta energy: -192.766 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: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1989.210692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.210692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.210692 (E_RNA) where: Base-Base interactions energy: -1253.496 where: short stacking energy: -596.813 Base-Backbone interact. energy: 1.794 local terms energy: -737.508692 where: bonds (distance) C4'-P energy: -144.880 bonds (distance) P-C4' energy: -159.046 flat angles C4'-P-C4' energy: -181.016 flat angles P-C4'-P energy: -107.453 tors. eta vs tors. theta energy: -145.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1576.356785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.356785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.356785 (E_RNA) where: Base-Base interactions energy: -947.846 where: short stacking energy: -455.302 Base-Backbone interact. energy: 4.956 local terms energy: -633.466342 where: bonds (distance) C4'-P energy: -144.435 bonds (distance) P-C4' energy: -150.165 flat angles C4'-P-C4' energy: -152.942 flat angles P-C4'-P energy: -91.600 tors. eta vs tors. theta energy: -94.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1171.595252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.595252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.595252 (E_RNA) where: Base-Base interactions energy: -618.876 where: short stacking energy: -305.655 Base-Backbone interact. energy: 1.557 local terms energy: -554.276133 where: bonds (distance) C4'-P energy: -162.775 bonds (distance) P-C4' energy: -157.696 flat angles C4'-P-C4' energy: -127.360 flat angles P-C4'-P energy: -88.193 tors. eta vs tors. theta energy: -18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -746.041651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.041651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.041651 (E_RNA) where: Base-Base interactions energy: -304.623 where: short stacking energy: -222.646 Base-Backbone interact. energy: 8.658 local terms energy: -450.076856 where: bonds (distance) C4'-P energy: -126.136 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -133.077 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: 13.420 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: 78 Temperature: 1.350000 Total energy: -696.551657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.551657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.551657 (E_RNA) where: Base-Base interactions energy: -263.859 where: short stacking energy: -185.832 Base-Backbone interact. energy: -1.405 local terms energy: -431.287546 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -163.579 flat angles C4'-P-C4' energy: -124.097 flat angles P-C4'-P energy: -67.904 tors. eta vs tors. theta energy: 50.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2825.139566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.139566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.139566 (E_RNA) where: Base-Base interactions energy: -1865.408 where: short stacking energy: -868.647 Base-Backbone interact. energy: -5.416 local terms energy: -954.316053 where: bonds (distance) C4'-P energy: -190.249 bonds (distance) P-C4' energy: -183.848 flat angles C4'-P-C4' energy: -206.864 flat angles P-C4'-P energy: -127.619 tors. eta vs tors. theta energy: -245.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2610.001256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.001256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.001256 (E_RNA) where: Base-Base interactions energy: -1710.437 where: short stacking energy: -781.440 Base-Backbone interact. energy: 4.070 local terms energy: -903.634800 where: bonds (distance) C4'-P energy: -181.499 bonds (distance) P-C4' energy: -183.582 flat angles C4'-P-C4' energy: -214.230 flat angles P-C4'-P energy: -111.772 tors. eta vs tors. theta energy: -212.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2490.501732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.501732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.501732 (E_RNA) where: Base-Base interactions energy: -1633.039 where: short stacking energy: -691.404 Base-Backbone interact. energy: -4.144 local terms energy: -853.318752 where: bonds (distance) C4'-P energy: -171.971 bonds (distance) P-C4' energy: -167.470 flat angles C4'-P-C4' energy: -207.788 flat angles P-C4'-P energy: -116.063 tors. eta vs tors. theta energy: -190.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2405.140066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.140066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.140066 (E_RNA) where: Base-Base interactions energy: -1564.728 where: short stacking energy: -725.680 Base-Backbone interact. energy: -1.817 local terms energy: -838.595880 where: bonds (distance) C4'-P energy: -172.671 bonds (distance) P-C4' energy: -165.718 flat angles C4'-P-C4' energy: -189.688 flat angles P-C4'-P energy: -120.423 tors. eta vs tors. theta energy: -190.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2185.868213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.868213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.868213 (E_RNA) where: Base-Base interactions energy: -1416.331 where: short stacking energy: -653.772 Base-Backbone interact. energy: 3.847 local terms energy: -773.383735 where: bonds (distance) C4'-P energy: -149.920 bonds (distance) P-C4' energy: -177.135 flat angles C4'-P-C4' energy: -163.606 flat angles P-C4'-P energy: -118.004 tors. eta vs tors. theta energy: -164.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2029.063105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.063105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.063105 (E_RNA) where: Base-Base interactions energy: -1315.055 where: short stacking energy: -638.700 Base-Backbone interact. energy: -0.177 local terms energy: -713.831674 where: bonds (distance) C4'-P energy: -148.089 bonds (distance) P-C4' energy: -160.253 flat angles C4'-P-C4' energy: -159.354 flat angles P-C4'-P energy: -101.392 tors. eta vs tors. theta energy: -144.743 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: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1629.162994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.162994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.162994 (E_RNA) where: Base-Base interactions energy: -957.648 where: short stacking energy: -472.622 Base-Backbone interact. energy: 7.285 local terms energy: -678.799849 where: bonds (distance) C4'-P energy: -166.535 bonds (distance) P-C4' energy: -177.509 flat angles C4'-P-C4' energy: -156.953 flat angles P-C4'-P energy: -85.288 tors. eta vs tors. theta energy: -92.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1223.807076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.807076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.807076 (E_RNA) where: Base-Base interactions energy: -647.296 where: short stacking energy: -348.209 Base-Backbone interact. energy: -0.044 local terms energy: -576.467350 where: bonds (distance) C4'-P energy: -142.988 bonds (distance) P-C4' energy: -154.145 flat angles C4'-P-C4' energy: -155.959 flat angles P-C4'-P energy: -87.720 tors. eta vs tors. theta energy: -35.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -866.571228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.571228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.571228 (E_RNA) where: Base-Base interactions energy: -348.927 where: short stacking energy: -252.069 Base-Backbone interact. energy: -1.411 local terms energy: -516.233563 where: bonds (distance) C4'-P energy: -136.563 bonds (distance) P-C4' energy: -164.453 flat angles C4'-P-C4' energy: -147.985 flat angles P-C4'-P energy: -65.590 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -692.789155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.789155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.789155 (E_RNA) where: Base-Base interactions energy: -230.457 where: short stacking energy: -192.841 Base-Backbone interact. energy: 5.173 local terms energy: -467.504969 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -143.195 flat angles C4'-P-C4' energy: -141.843 flat angles P-C4'-P energy: -71.972 tors. eta vs tors. theta energy: 22.224 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: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2871.776657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.776657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.776657 (E_RNA) where: Base-Base interactions energy: -1887.037 where: short stacking energy: -891.655 Base-Backbone interact. energy: -1.623 local terms energy: -983.116734 where: bonds (distance) C4'-P energy: -182.440 bonds (distance) P-C4' energy: -195.691 flat angles C4'-P-C4' energy: -212.882 flat angles P-C4'-P energy: -128.761 tors. eta vs tors. theta energy: -263.343 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: 80 Temperature: 0.950000 Total energy: -2645.893382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.893382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.893382 (E_RNA) where: Base-Base interactions energy: -1738.529 where: short stacking energy: -777.451 Base-Backbone interact. energy: -1.141 local terms energy: -906.222856 where: bonds (distance) C4'-P energy: -181.800 bonds (distance) P-C4' energy: -188.177 flat angles C4'-P-C4' energy: -197.854 flat angles P-C4'-P energy: -123.796 tors. eta vs tors. theta energy: -214.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2525.538637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.538637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.538637 (E_RNA) where: Base-Base interactions energy: -1661.284 where: short stacking energy: -723.460 Base-Backbone interact. energy: -0.348 local terms energy: -863.906780 where: bonds (distance) C4'-P energy: -171.401 bonds (distance) P-C4' energy: -182.168 flat angles C4'-P-C4' energy: -186.143 flat angles P-C4'-P energy: -109.225 tors. eta vs tors. theta energy: -214.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2347.304647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.304647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.304647 (E_RNA) where: Base-Base interactions energy: -1554.432 where: short stacking energy: -700.401 Base-Backbone interact. energy: -2.348 local terms energy: -790.524926 where: bonds (distance) C4'-P energy: -148.379 bonds (distance) P-C4' energy: -168.605 flat angles C4'-P-C4' energy: -178.850 flat angles P-C4'-P energy: -103.462 tors. eta vs tors. theta energy: -191.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2192.404682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.404682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.404682 (E_RNA) where: Base-Base interactions energy: -1404.193 where: short stacking energy: -652.630 Base-Backbone interact. energy: -1.835 local terms energy: -786.376380 where: bonds (distance) C4'-P energy: -155.649 bonds (distance) P-C4' energy: -169.950 flat angles C4'-P-C4' energy: -165.401 flat angles P-C4'-P energy: -119.269 tors. eta vs tors. theta energy: -176.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1982.695654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.695654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.695654 (E_RNA) where: Base-Base interactions energy: -1248.878 where: short stacking energy: -567.654 Base-Backbone interact. energy: 1.652 local terms energy: -735.470230 where: bonds (distance) C4'-P energy: -171.586 bonds (distance) P-C4' energy: -157.936 flat angles C4'-P-C4' energy: -161.219 flat angles P-C4'-P energy: -104.657 tors. eta vs tors. theta energy: -140.072 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: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1704.185235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.185235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.185235 (E_RNA) where: Base-Base interactions energy: -1029.538 where: short stacking energy: -501.735 Base-Backbone interact. energy: 3.154 local terms energy: -677.800995 where: bonds (distance) C4'-P energy: -155.716 bonds (distance) P-C4' energy: -163.028 flat angles C4'-P-C4' energy: -151.332 flat angles P-C4'-P energy: -98.265 tors. eta vs tors. theta energy: -109.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1237.074233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.074233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.074233 (E_RNA) where: Base-Base interactions energy: -661.273 where: short stacking energy: -346.323 Base-Backbone interact. energy: 7.230 local terms energy: -583.031486 where: bonds (distance) C4'-P energy: -168.373 bonds (distance) P-C4' energy: -158.131 flat angles C4'-P-C4' energy: -140.352 flat angles P-C4'-P energy: -81.601 tors. eta vs tors. theta energy: -34.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -808.742578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.742578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.742578 (E_RNA) where: Base-Base interactions energy: -349.257 where: short stacking energy: -230.356 Base-Backbone interact. energy: 2.396 local terms energy: -461.881892 where: bonds (distance) C4'-P energy: -136.181 bonds (distance) P-C4' energy: -163.577 flat angles C4'-P-C4' energy: -110.367 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: 15.111 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: 80 Temperature: 1.350000 Total energy: -656.815955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.815955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.815955 (E_RNA) where: Base-Base interactions energy: -207.187 where: short stacking energy: -162.421 Base-Backbone interact. energy: 5.977 local terms energy: -455.605129 where: bonds (distance) C4'-P energy: -144.570 bonds (distance) P-C4' energy: -163.734 flat angles C4'-P-C4' energy: -114.996 flat angles P-C4'-P energy: -81.489 tors. eta vs tors. theta energy: 49.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2785.739700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.739700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.739700 (E_RNA) where: Base-Base interactions energy: -1851.589 where: short stacking energy: -849.570 Base-Backbone interact. energy: -1.011 local terms energy: -933.139822 where: bonds (distance) C4'-P energy: -165.200 bonds (distance) P-C4' energy: -191.104 flat angles C4'-P-C4' energy: -200.162 flat angles P-C4'-P energy: -143.004 tors. eta vs tors. theta energy: -233.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2656.181667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.181667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.181667 (E_RNA) where: Base-Base interactions energy: -1772.538 where: short stacking energy: -794.137 Base-Backbone interact. energy: 2.771 local terms energy: -886.414508 where: bonds (distance) C4'-P energy: -178.359 bonds (distance) P-C4' energy: -174.996 flat angles C4'-P-C4' energy: -191.244 flat angles P-C4'-P energy: -115.521 tors. eta vs tors. theta energy: -226.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2480.722513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.722513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.722513 (E_RNA) where: Base-Base interactions energy: -1607.912 where: short stacking energy: -694.868 Base-Backbone interact. energy: -3.744 local terms energy: -869.067117 where: bonds (distance) C4'-P energy: -176.068 bonds (distance) P-C4' energy: -190.269 flat angles C4'-P-C4' energy: -192.979 flat angles P-C4'-P energy: -105.928 tors. eta vs tors. theta energy: -203.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2300.609680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.609680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.609680 (E_RNA) where: Base-Base interactions energy: -1466.844 where: short stacking energy: -683.808 Base-Backbone interact. energy: 1.020 local terms energy: -834.785619 where: bonds (distance) C4'-P energy: -176.814 bonds (distance) P-C4' energy: -178.832 flat angles C4'-P-C4' energy: -180.304 flat angles P-C4'-P energy: -109.364 tors. eta vs tors. theta energy: -189.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2235.384472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.384472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.384472 (E_RNA) where: Base-Base interactions energy: -1469.418 where: short stacking energy: -661.268 Base-Backbone interact. energy: 4.314 local terms energy: -770.280815 where: bonds (distance) C4'-P energy: -163.747 bonds (distance) P-C4' energy: -164.005 flat angles C4'-P-C4' energy: -156.648 flat angles P-C4'-P energy: -109.297 tors. eta vs tors. theta energy: -176.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1914.840524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.840524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.840524 (E_RNA) where: Base-Base interactions energy: -1205.977 where: short stacking energy: -602.217 Base-Backbone interact. energy: 8.024 local terms energy: -716.886890 where: bonds (distance) C4'-P energy: -152.719 bonds (distance) P-C4' energy: -160.120 flat angles C4'-P-C4' energy: -171.058 flat angles P-C4'-P energy: -91.963 tors. eta vs tors. theta energy: -141.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1643.716969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.716969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.716969 (E_RNA) where: Base-Base interactions energy: -1002.497 where: short stacking energy: -483.958 Base-Backbone interact. energy: -3.958 local terms energy: -637.262264 where: bonds (distance) C4'-P energy: -154.753 bonds (distance) P-C4' energy: -131.188 flat angles C4'-P-C4' energy: -173.145 flat angles P-C4'-P energy: -95.869 tors. eta vs tors. theta energy: -82.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1214.402968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.402968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.402968 (E_RNA) where: Base-Base interactions energy: -630.104 where: short stacking energy: -322.281 Base-Backbone interact. energy: 0.246 local terms energy: -584.544890 where: bonds (distance) C4'-P energy: -141.111 bonds (distance) P-C4' energy: -172.706 flat angles C4'-P-C4' energy: -142.295 flat angles P-C4'-P energy: -84.664 tors. eta vs tors. theta energy: -43.769 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: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -807.282941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.282941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.282941 (E_RNA) where: Base-Base interactions energy: -318.770 where: short stacking energy: -209.072 Base-Backbone interact. energy: -1.096 local terms energy: -487.416532 where: bonds (distance) C4'-P energy: -132.223 bonds (distance) P-C4' energy: -168.481 flat angles C4'-P-C4' energy: -132.622 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: 23.130 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: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -664.278106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.278106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.278106 (E_RNA) where: Base-Base interactions energy: -224.411 where: short stacking energy: -193.699 Base-Backbone interact. energy: 9.389 local terms energy: -449.256943 where: bonds (distance) C4'-P energy: -142.975 bonds (distance) P-C4' energy: -165.736 flat angles C4'-P-C4' energy: -121.874 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: 31.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2805.572581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.572581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.572581 (E_RNA) where: Base-Base interactions energy: -1822.644 where: short stacking energy: -870.971 Base-Backbone interact. energy: 0.405 local terms energy: -983.333527 where: bonds (distance) C4'-P energy: -196.080 bonds (distance) P-C4' energy: -188.013 flat angles C4'-P-C4' energy: -209.625 flat angles P-C4'-P energy: -131.046 tors. eta vs tors. theta energy: -258.569 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: 82 Temperature: 0.950000 Total energy: -2680.494834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.494834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.494834 (E_RNA) where: Base-Base interactions energy: -1788.560 where: short stacking energy: -814.742 Base-Backbone interact. energy: 5.375 local terms energy: -897.309967 where: bonds (distance) C4'-P energy: -169.773 bonds (distance) P-C4' energy: -185.099 flat angles C4'-P-C4' energy: -201.857 flat angles P-C4'-P energy: -112.707 tors. eta vs tors. theta energy: -227.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2558.208012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.208012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.208012 (E_RNA) where: Base-Base interactions energy: -1702.904 where: short stacking energy: -737.214 Base-Backbone interact. energy: 2.724 local terms energy: -858.028485 where: bonds (distance) C4'-P energy: -174.103 bonds (distance) P-C4' energy: -173.746 flat angles C4'-P-C4' energy: -191.064 flat angles P-C4'-P energy: -130.109 tors. eta vs tors. theta energy: -189.007 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: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2351.070167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.070167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.070167 (E_RNA) where: Base-Base interactions energy: -1526.743 where: short stacking energy: -717.968 Base-Backbone interact. energy: -0.198 local terms energy: -824.128697 where: bonds (distance) C4'-P energy: -159.137 bonds (distance) P-C4' energy: -176.130 flat angles C4'-P-C4' energy: -190.909 flat angles P-C4'-P energy: -113.409 tors. eta vs tors. theta energy: -184.543 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: 5, replica: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2076.570483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.570483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.570483 (E_RNA) where: Base-Base interactions energy: -1344.927 where: short stacking energy: -596.722 Base-Backbone interact. energy: 0.668 local terms energy: -732.311917 where: bonds (distance) C4'-P energy: -147.678 bonds (distance) P-C4' energy: -172.480 flat angles C4'-P-C4' energy: -158.848 flat angles P-C4'-P energy: -93.027 tors. eta vs tors. theta energy: -160.279 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: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1935.427537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.427537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.427537 (E_RNA) where: Base-Base interactions energy: -1202.377 where: short stacking energy: -571.041 Base-Backbone interact. energy: 3.782 local terms energy: -736.832553 where: bonds (distance) C4'-P energy: -150.410 bonds (distance) P-C4' energy: -158.341 flat angles C4'-P-C4' energy: -175.857 flat angles P-C4'-P energy: -110.937 tors. eta vs tors. theta energy: -141.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1664.953057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.953057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.953057 (E_RNA) where: Base-Base interactions energy: -1013.129 where: short stacking energy: -502.976 Base-Backbone interact. energy: 4.539 local terms energy: -656.362784 where: bonds (distance) C4'-P energy: -153.550 bonds (distance) P-C4' energy: -169.454 flat angles C4'-P-C4' energy: -145.782 flat angles P-C4'-P energy: -82.100 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: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1199.075931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.075931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.075931 (E_RNA) where: Base-Base interactions energy: -660.156 where: short stacking energy: -344.132 Base-Backbone interact. energy: 1.858 local terms energy: -540.777914 where: bonds (distance) C4'-P energy: -110.185 bonds (distance) P-C4' energy: -150.405 flat angles C4'-P-C4' energy: -149.547 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -39.271 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: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -822.657851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.657851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.657851 (E_RNA) where: Base-Base interactions energy: -306.126 where: short stacking energy: -217.630 Base-Backbone interact. energy: -3.527 local terms energy: -513.005119 where: bonds (distance) C4'-P energy: -150.218 bonds (distance) P-C4' energy: -157.989 flat angles C4'-P-C4' energy: -123.682 flat angles P-C4'-P energy: -81.472 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -712.954130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.954130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.954130 (E_RNA) where: Base-Base interactions energy: -276.056 where: short stacking energy: -216.765 Base-Backbone interact. energy: 1.595 local terms energy: -438.493324 where: bonds (distance) C4'-P energy: -156.796 bonds (distance) P-C4' energy: -148.930 flat angles C4'-P-C4' energy: -105.546 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: 22.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2806.265621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.265621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.265621 (E_RNA) where: Base-Base interactions energy: -1851.627 where: short stacking energy: -832.194 Base-Backbone interact. energy: -3.420 local terms energy: -951.218703 where: bonds (distance) C4'-P energy: -193.727 bonds (distance) P-C4' energy: -173.815 flat angles C4'-P-C4' energy: -212.590 flat angles P-C4'-P energy: -125.878 tors. eta vs tors. theta energy: -245.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2673.714937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.714937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.714937 (E_RNA) where: Base-Base interactions energy: -1751.818 where: short stacking energy: -770.570 Base-Backbone interact. energy: -3.378 local terms energy: -918.518376 where: bonds (distance) C4'-P energy: -180.385 bonds (distance) P-C4' energy: -193.601 flat angles C4'-P-C4' energy: -184.453 flat angles P-C4'-P energy: -134.766 tors. eta vs tors. theta energy: -225.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2512.388825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.388825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.388825 (E_RNA) where: Base-Base interactions energy: -1641.325 where: short stacking energy: -745.789 Base-Backbone interact. energy: -1.443 local terms energy: -869.620631 where: bonds (distance) C4'-P energy: -180.902 bonds (distance) P-C4' energy: -168.500 flat angles C4'-P-C4' energy: -193.986 flat angles P-C4'-P energy: -117.692 tors. eta vs tors. theta energy: -208.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2314.862929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.862929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.862929 (E_RNA) where: Base-Base interactions energy: -1482.454 where: short stacking energy: -690.034 Base-Backbone interact. energy: -5.328 local terms energy: -827.081192 where: bonds (distance) C4'-P energy: -180.669 bonds (distance) P-C4' energy: -174.138 flat angles C4'-P-C4' energy: -187.912 flat angles P-C4'-P energy: -103.149 tors. eta vs tors. theta energy: -181.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2098.350234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.350234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.350234 (E_RNA) where: Base-Base interactions energy: -1295.553 where: short stacking energy: -611.850 Base-Backbone interact. energy: -2.566 local terms energy: -800.231025 where: bonds (distance) C4'-P energy: -176.183 bonds (distance) P-C4' energy: -170.071 flat angles C4'-P-C4' energy: -169.258 flat angles P-C4'-P energy: -117.961 tors. eta vs tors. theta energy: -166.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1948.049227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.049227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.049227 (E_RNA) where: Base-Base interactions energy: -1240.362 where: short stacking energy: -565.644 Base-Backbone interact. energy: -0.830 local terms energy: -706.856934 where: bonds (distance) C4'-P energy: -160.858 bonds (distance) P-C4' energy: -173.834 flat angles C4'-P-C4' energy: -156.642 flat angles P-C4'-P energy: -99.821 tors. eta vs tors. theta energy: -115.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1722.831300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.831300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.831300 (E_RNA) where: Base-Base interactions energy: -1052.497 where: short stacking energy: -489.196 Base-Backbone interact. energy: -2.550 local terms energy: -667.783671 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -167.610 flat angles C4'-P-C4' energy: -155.806 flat angles P-C4'-P energy: -97.902 tors. eta vs tors. theta energy: -97.108 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: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1223.607856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.607856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.607856 (E_RNA) where: Base-Base interactions energy: -653.994 where: short stacking energy: -358.568 Base-Backbone interact. energy: -4.380 local terms energy: -565.233996 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -170.019 flat angles C4'-P-C4' energy: -140.126 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -26.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -791.521633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.521633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.521633 (E_RNA) where: Base-Base interactions energy: -329.930 where: short stacking energy: -226.611 Base-Backbone interact. energy: -3.420 local terms energy: -458.171642 where: bonds (distance) C4'-P energy: -150.664 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -101.658 flat angles P-C4'-P energy: -72.258 tors. eta vs tors. theta energy: 21.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -648.446446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.446446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.446446 (E_RNA) where: Base-Base interactions energy: -235.890 where: short stacking energy: -178.687 Base-Backbone interact. energy: 1.105 local terms energy: -413.661211 where: bonds (distance) C4'-P energy: -120.953 bonds (distance) P-C4' energy: -144.679 flat angles C4'-P-C4' energy: -122.186 flat angles P-C4'-P energy: -72.019 tors. eta vs tors. theta energy: 46.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2804.068272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.068272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.068272 (E_RNA) where: Base-Base interactions energy: -1836.672 where: short stacking energy: -848.907 Base-Backbone interact. energy: -3.640 local terms energy: -963.756839 where: bonds (distance) C4'-P energy: -190.857 bonds (distance) P-C4' energy: -174.130 flat angles C4'-P-C4' energy: -211.791 flat angles P-C4'-P energy: -132.344 tors. eta vs tors. theta energy: -254.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2580.803498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.803498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.803498 (E_RNA) where: Base-Base interactions energy: -1687.923 where: short stacking energy: -773.928 Base-Backbone interact. energy: -1.327 local terms energy: -891.553339 where: bonds (distance) C4'-P energy: -183.126 bonds (distance) P-C4' energy: -173.922 flat angles C4'-P-C4' energy: -198.445 flat angles P-C4'-P energy: -121.180 tors. eta vs tors. theta energy: -214.881 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: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2482.393852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.393852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.393852 (E_RNA) where: Base-Base interactions energy: -1639.793 where: short stacking energy: -731.420 Base-Backbone interact. energy: -3.865 local terms energy: -838.735660 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -168.967 flat angles C4'-P-C4' energy: -204.519 flat angles P-C4'-P energy: -119.620 tors. eta vs tors. theta energy: -202.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2335.206601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.206601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.206601 (E_RNA) where: Base-Base interactions energy: -1506.160 where: short stacking energy: -710.590 Base-Backbone interact. energy: 1.009 local terms energy: -830.055659 where: bonds (distance) C4'-P energy: -170.312 bonds (distance) P-C4' energy: -180.616 flat angles C4'-P-C4' energy: -190.154 flat angles P-C4'-P energy: -104.360 tors. eta vs tors. theta energy: -184.613 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: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2163.947132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.947132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.947132 (E_RNA) where: Base-Base interactions energy: -1411.256 where: short stacking energy: -637.420 Base-Backbone interact. energy: -0.755 local terms energy: -751.935623 where: bonds (distance) C4'-P energy: -153.521 bonds (distance) P-C4' energy: -147.480 flat angles C4'-P-C4' energy: -176.337 flat angles P-C4'-P energy: -93.128 tors. eta vs tors. theta energy: -181.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1902.587513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.587513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.587513 (E_RNA) where: Base-Base interactions energy: -1190.024 where: short stacking energy: -508.611 Base-Backbone interact. energy: 4.820 local terms energy: -717.383737 where: bonds (distance) C4'-P energy: -154.748 bonds (distance) P-C4' energy: -157.722 flat angles C4'-P-C4' energy: -177.081 flat angles P-C4'-P energy: -113.209 tors. eta vs tors. theta energy: -114.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1722.227009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.227009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.227009 (E_RNA) where: Base-Base interactions energy: -1057.358 where: short stacking energy: -510.761 Base-Backbone interact. energy: 2.467 local terms energy: -667.336114 where: bonds (distance) C4'-P energy: -157.418 bonds (distance) P-C4' energy: -172.987 flat angles C4'-P-C4' energy: -142.447 flat angles P-C4'-P energy: -88.599 tors. eta vs tors. theta energy: -105.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1331.022054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.022054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.022054 (E_RNA) where: Base-Base interactions energy: -772.185 where: short stacking energy: -399.490 Base-Backbone interact. energy: -1.887 local terms energy: -556.950714 where: bonds (distance) C4'-P energy: -142.949 bonds (distance) P-C4' energy: -136.617 flat angles C4'-P-C4' energy: -138.923 flat angles P-C4'-P energy: -83.055 tors. eta vs tors. theta energy: -55.406 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: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -814.279381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.279381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.279381 (E_RNA) where: Base-Base interactions energy: -347.748 where: short stacking energy: -224.589 Base-Backbone interact. energy: -1.190 local terms energy: -465.341159 where: bonds (distance) C4'-P energy: -133.682 bonds (distance) P-C4' energy: -167.034 flat angles C4'-P-C4' energy: -126.681 flat angles P-C4'-P energy: -59.049 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: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -664.160326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.160326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.160326 (E_RNA) where: Base-Base interactions energy: -244.396 where: short stacking energy: -184.881 Base-Backbone interact. energy: -0.005 local terms energy: -419.758775 where: bonds (distance) C4'-P energy: -149.644 bonds (distance) P-C4' energy: -144.649 flat angles C4'-P-C4' energy: -115.946 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: 42.639 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: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2745.909586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.909586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.909586 (E_RNA) where: Base-Base interactions energy: -1808.881 where: short stacking energy: -833.300 Base-Backbone interact. energy: -2.837 local terms energy: -934.191888 where: bonds (distance) C4'-P energy: -173.991 bonds (distance) P-C4' energy: -187.511 flat angles C4'-P-C4' energy: -206.483 flat angles P-C4'-P energy: -137.524 tors. eta vs tors. theta energy: -228.683 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: 85 Temperature: 0.950000 Total energy: -2645.899957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.899957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.899957 (E_RNA) where: Base-Base interactions energy: -1728.686 where: short stacking energy: -784.378 Base-Backbone interact. energy: -2.805 local terms energy: -914.409621 where: bonds (distance) C4'-P energy: -177.466 bonds (distance) P-C4' energy: -196.275 flat angles C4'-P-C4' energy: -192.686 flat angles P-C4'-P energy: -135.592 tors. eta vs tors. theta energy: -212.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2526.018529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.018529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.018529 (E_RNA) where: Base-Base interactions energy: -1682.533 where: short stacking energy: -703.027 Base-Backbone interact. energy: -1.760 local terms energy: -841.725896 where: bonds (distance) C4'-P energy: -154.816 bonds (distance) P-C4' energy: -172.715 flat angles C4'-P-C4' energy: -192.529 flat angles P-C4'-P energy: -122.128 tors. eta vs tors. theta energy: -199.537 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: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2336.402503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.402503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.402503 (E_RNA) where: Base-Base interactions energy: -1532.807 where: short stacking energy: -708.740 Base-Backbone interact. energy: -1.199 local terms energy: -802.396370 where: bonds (distance) C4'-P energy: -169.111 bonds (distance) P-C4' energy: -174.901 flat angles C4'-P-C4' energy: -169.022 flat angles P-C4'-P energy: -104.925 tors. eta vs tors. theta energy: -184.437 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: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2223.908645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.908645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.908645 (E_RNA) where: Base-Base interactions energy: -1440.637 where: short stacking energy: -628.167 Base-Backbone interact. energy: -0.447 local terms energy: -782.824850 where: bonds (distance) C4'-P energy: -165.786 bonds (distance) P-C4' energy: -171.981 flat angles C4'-P-C4' energy: -185.427 flat angles P-C4'-P energy: -86.898 tors. eta vs tors. theta energy: -172.733 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: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1932.955688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.955688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.955688 (E_RNA) where: Base-Base interactions energy: -1255.145 where: short stacking energy: -599.531 Base-Backbone interact. energy: -2.498 local terms energy: -675.312489 where: bonds (distance) C4'-P energy: -128.536 bonds (distance) P-C4' energy: -128.783 flat angles C4'-P-C4' energy: -162.049 flat angles P-C4'-P energy: -117.528 tors. eta vs tors. theta energy: -138.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1751.810161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.810161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.810161 (E_RNA) where: Base-Base interactions energy: -1092.159 where: short stacking energy: -524.178 Base-Backbone interact. energy: 3.434 local terms energy: -663.085862 where: bonds (distance) C4'-P energy: -155.513 bonds (distance) P-C4' energy: -136.043 flat angles C4'-P-C4' energy: -168.309 flat angles P-C4'-P energy: -95.356 tors. eta vs tors. theta energy: -107.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1316.691381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.691381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.691381 (E_RNA) where: Base-Base interactions energy: -722.336 where: short stacking energy: -367.484 Base-Backbone interact. energy: -1.319 local terms energy: -593.035952 where: bonds (distance) C4'-P energy: -131.141 bonds (distance) P-C4' energy: -171.323 flat angles C4'-P-C4' energy: -155.732 flat angles P-C4'-P energy: -88.134 tors. eta vs tors. theta energy: -46.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -871.374763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.374763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.374763 (E_RNA) where: Base-Base interactions energy: -393.926 where: short stacking energy: -241.351 Base-Backbone interact. energy: 4.589 local terms energy: -482.037353 where: bonds (distance) C4'-P energy: -143.760 bonds (distance) P-C4' energy: -151.860 flat angles C4'-P-C4' energy: -121.395 flat angles P-C4'-P energy: -77.830 tors. eta vs tors. theta energy: 12.808 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: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -685.689031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.689031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.689031 (E_RNA) where: Base-Base interactions energy: -221.216 where: short stacking energy: -147.999 Base-Backbone interact. energy: -3.280 local terms energy: -461.192719 where: bonds (distance) C4'-P energy: -146.705 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -122.000 flat angles P-C4'-P energy: -71.516 tors. eta vs tors. theta energy: 25.641 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: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2760.731120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.731120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.731120 (E_RNA) where: Base-Base interactions energy: -1822.083 where: short stacking energy: -857.321 Base-Backbone interact. energy: 2.653 local terms energy: -941.301217 where: bonds (distance) C4'-P energy: -180.522 bonds (distance) P-C4' energy: -173.943 flat angles C4'-P-C4' energy: -217.967 flat angles P-C4'-P energy: -134.799 tors. eta vs tors. theta energy: -234.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2565.907828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.907828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.907828 (E_RNA) where: Base-Base interactions energy: -1649.518 where: short stacking energy: -729.960 Base-Backbone interact. energy: -0.954 local terms energy: -915.435968 where: bonds (distance) C4'-P energy: -187.535 bonds (distance) P-C4' energy: -191.517 flat angles C4'-P-C4' energy: -196.778 flat angles P-C4'-P energy: -127.785 tors. eta vs tors. theta energy: -211.822 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: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2593.788652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.788652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.788652 (E_RNA) where: Base-Base interactions energy: -1715.052 where: short stacking energy: -740.498 Base-Backbone interact. energy: -4.869 local terms energy: -873.867908 where: bonds (distance) C4'-P energy: -189.325 bonds (distance) P-C4' energy: -174.108 flat angles C4'-P-C4' energy: -179.181 flat angles P-C4'-P energy: -121.375 tors. eta vs tors. theta energy: -209.879 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: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2349.485937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.485937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.485937 (E_RNA) where: Base-Base interactions energy: -1535.755 where: short stacking energy: -755.639 Base-Backbone interact. energy: -1.509 local terms energy: -812.222720 where: bonds (distance) C4'-P energy: -170.416 bonds (distance) P-C4' energy: -145.998 flat angles C4'-P-C4' energy: -183.034 flat angles P-C4'-P energy: -106.429 tors. eta vs tors. theta energy: -206.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2141.159916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.159916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.159916 (E_RNA) where: Base-Base interactions energy: -1332.833 where: short stacking energy: -606.442 Base-Backbone interact. energy: -2.640 local terms energy: -805.686951 where: bonds (distance) C4'-P energy: -179.030 bonds (distance) P-C4' energy: -175.326 flat angles C4'-P-C4' energy: -187.337 flat angles P-C4'-P energy: -97.377 tors. eta vs tors. theta energy: -166.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1981.413682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.413682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.413682 (E_RNA) where: Base-Base interactions energy: -1265.631 where: short stacking energy: -574.382 Base-Backbone interact. energy: 5.632 local terms energy: -721.414652 where: bonds (distance) C4'-P energy: -142.414 bonds (distance) P-C4' energy: -170.738 flat angles C4'-P-C4' energy: -174.751 flat angles P-C4'-P energy: -88.988 tors. eta vs tors. theta energy: -144.524 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: 86 Temperature: 1.200000 Total energy: -1742.287019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.287019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.287019 (E_RNA) where: Base-Base interactions energy: -1072.116 where: short stacking energy: -536.182 Base-Backbone interact. energy: -1.310 local terms energy: -668.861094 where: bonds (distance) C4'-P energy: -146.036 bonds (distance) P-C4' energy: -155.251 flat angles C4'-P-C4' energy: -145.478 flat angles P-C4'-P energy: -101.373 tors. eta vs tors. theta energy: -120.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1285.788989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.788989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.788989 (E_RNA) where: Base-Base interactions energy: -705.977 where: short stacking energy: -357.451 Base-Backbone interact. energy: 0.986 local terms energy: -580.798279 where: bonds (distance) C4'-P energy: -164.109 bonds (distance) P-C4' energy: -165.777 flat angles C4'-P-C4' energy: -129.464 flat angles P-C4'-P energy: -89.408 tors. eta vs tors. theta energy: -32.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -873.114868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.114868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.114868 (E_RNA) where: Base-Base interactions energy: -368.178 where: short stacking energy: -240.290 Base-Backbone interact. energy: 1.316 local terms energy: -506.252814 where: bonds (distance) C4'-P energy: -135.557 bonds (distance) P-C4' energy: -167.552 flat angles C4'-P-C4' energy: -129.985 flat angles P-C4'-P energy: -85.948 tors. eta vs tors. theta energy: 12.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -725.230150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.230150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.230150 (E_RNA) where: Base-Base interactions energy: -263.808 where: short stacking energy: -214.978 Base-Backbone interact. energy: 1.255 local terms energy: -462.676933 where: bonds (distance) C4'-P energy: -137.742 bonds (distance) P-C4' energy: -155.856 flat angles C4'-P-C4' energy: -134.982 flat angles P-C4'-P energy: -67.622 tors. eta vs tors. theta energy: 33.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2799.937759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.937759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.937759 (E_RNA) where: Base-Base interactions energy: -1863.550 where: short stacking energy: -825.245 Base-Backbone interact. energy: -0.111 local terms energy: -936.276391 where: bonds (distance) C4'-P energy: -177.477 bonds (distance) P-C4' energy: -178.480 flat angles C4'-P-C4' energy: -215.434 flat angles P-C4'-P energy: -131.686 tors. eta vs tors. theta energy: -233.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2589.861754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.861754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.861754 (E_RNA) where: Base-Base interactions energy: -1671.362 where: short stacking energy: -746.426 Base-Backbone interact. energy: -0.159 local terms energy: -918.340940 where: bonds (distance) C4'-P energy: -187.819 bonds (distance) P-C4' energy: -180.820 flat angles C4'-P-C4' energy: -210.896 flat angles P-C4'-P energy: -121.806 tors. eta vs tors. theta energy: -216.999 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: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2519.779576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.779576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.779576 (E_RNA) where: Base-Base interactions energy: -1657.238 where: short stacking energy: -698.590 Base-Backbone interact. energy: -0.733 local terms energy: -861.808767 where: bonds (distance) C4'-P energy: -165.166 bonds (distance) P-C4' energy: -188.332 flat angles C4'-P-C4' energy: -184.214 flat angles P-C4'-P energy: -108.877 tors. eta vs tors. theta energy: -215.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2369.953137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.953137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.953137 (E_RNA) where: Base-Base interactions energy: -1526.703 where: short stacking energy: -730.498 Base-Backbone interact. energy: -4.846 local terms energy: -838.404555 where: bonds (distance) C4'-P energy: -172.671 bonds (distance) P-C4' energy: -179.000 flat angles C4'-P-C4' energy: -180.140 flat angles P-C4'-P energy: -105.821 tors. eta vs tors. theta energy: -200.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2163.343361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.343361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.343361 (E_RNA) where: Base-Base interactions energy: -1335.550 where: short stacking energy: -653.080 Base-Backbone interact. energy: -0.534 local terms energy: -827.259299 where: bonds (distance) C4'-P energy: -163.776 bonds (distance) P-C4' energy: -166.128 flat angles C4'-P-C4' energy: -180.049 flat angles P-C4'-P energy: -118.262 tors. eta vs tors. theta energy: -199.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2038.303505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.303505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.303505 (E_RNA) where: Base-Base interactions energy: -1307.194 where: short stacking energy: -608.043 Base-Backbone interact. energy: 3.603 local terms energy: -734.712684 where: bonds (distance) C4'-P energy: -176.086 bonds (distance) P-C4' energy: -146.880 flat angles C4'-P-C4' energy: -171.251 flat angles P-C4'-P energy: -101.060 tors. eta vs tors. theta energy: -139.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1668.754132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.754132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.754132 (E_RNA) where: Base-Base interactions energy: -1025.771 where: short stacking energy: -459.962 Base-Backbone interact. energy: 1.194 local terms energy: -644.177169 where: bonds (distance) C4'-P energy: -153.725 bonds (distance) P-C4' energy: -178.408 flat angles C4'-P-C4' energy: -136.216 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -77.658 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: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1235.897226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.897226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.897226 (E_RNA) where: Base-Base interactions energy: -669.408 where: short stacking energy: -341.050 Base-Backbone interact. energy: -0.831 local terms energy: -565.657553 where: bonds (distance) C4'-P energy: -130.200 bonds (distance) P-C4' energy: -162.816 flat angles C4'-P-C4' energy: -161.183 flat angles P-C4'-P energy: -84.009 tors. eta vs tors. theta energy: -27.450 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: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -836.102996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.102996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.102996 (E_RNA) where: Base-Base interactions energy: -341.687 where: short stacking energy: -244.630 Base-Backbone interact. energy: 1.723 local terms energy: -496.139457 where: bonds (distance) C4'-P energy: -156.346 bonds (distance) P-C4' energy: -171.019 flat angles C4'-P-C4' energy: -109.000 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -666.752622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.752622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.752622 (E_RNA) where: Base-Base interactions energy: -203.711 where: short stacking energy: -177.534 Base-Backbone interact. energy: 2.191 local terms energy: -465.231994 where: bonds (distance) C4'-P energy: -149.048 bonds (distance) P-C4' energy: -131.347 flat angles C4'-P-C4' energy: -124.974 flat angles P-C4'-P energy: -101.625 tors. eta vs tors. theta energy: 41.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2759.601112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.601112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.601112 (E_RNA) where: Base-Base interactions energy: -1819.638 where: short stacking energy: -862.740 Base-Backbone interact. energy: 4.392 local terms energy: -944.354709 where: bonds (distance) C4'-P energy: -186.822 bonds (distance) P-C4' energy: -192.635 flat angles C4'-P-C4' energy: -190.627 flat angles P-C4'-P energy: -128.387 tors. eta vs tors. theta energy: -245.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2625.269226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.269226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.269226 (E_RNA) where: Base-Base interactions energy: -1743.891 where: short stacking energy: -792.999 Base-Backbone interact. energy: 0.731 local terms energy: -882.108798 where: bonds (distance) C4'-P energy: -163.774 bonds (distance) P-C4' energy: -179.186 flat angles C4'-P-C4' energy: -189.880 flat angles P-C4'-P energy: -131.324 tors. eta vs tors. theta energy: -217.944 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: 88 Temperature: 1.000000 Total energy: -2505.256931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.256931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.256931 (E_RNA) where: Base-Base interactions energy: -1649.674 where: short stacking energy: -736.022 Base-Backbone interact. energy: -2.998 local terms energy: -852.584856 where: bonds (distance) C4'-P energy: -168.811 bonds (distance) P-C4' energy: -167.084 flat angles C4'-P-C4' energy: -201.632 flat angles P-C4'-P energy: -114.307 tors. eta vs tors. theta energy: -200.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2294.773820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.773820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.773820 (E_RNA) where: Base-Base interactions energy: -1481.840 where: short stacking energy: -702.504 Base-Backbone interact. energy: 0.290 local terms energy: -813.223638 where: bonds (distance) C4'-P energy: -165.143 bonds (distance) P-C4' energy: -183.419 flat angles C4'-P-C4' energy: -174.250 flat angles P-C4'-P energy: -119.206 tors. eta vs tors. theta energy: -171.205 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: 88 Temperature: 1.100000 Total energy: -2165.376662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.376662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.376662 (E_RNA) where: Base-Base interactions energy: -1361.593 where: short stacking energy: -642.762 Base-Backbone interact. energy: -0.351 local terms energy: -803.432900 where: bonds (distance) C4'-P energy: -170.351 bonds (distance) P-C4' energy: -166.338 flat angles C4'-P-C4' energy: -189.368 flat angles P-C4'-P energy: -110.699 tors. eta vs tors. theta energy: -166.678 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: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2012.483935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.483935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.483935 (E_RNA) where: Base-Base interactions energy: -1285.576 where: short stacking energy: -581.094 Base-Backbone interact. energy: 4.260 local terms energy: -731.167080 where: bonds (distance) C4'-P energy: -117.007 bonds (distance) P-C4' energy: -177.857 flat angles C4'-P-C4' energy: -173.416 flat angles P-C4'-P energy: -106.002 tors. eta vs tors. theta energy: -156.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1630.518739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.518739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.518739 (E_RNA) where: Base-Base interactions energy: -962.251 where: short stacking energy: -476.006 Base-Backbone interact. energy: -1.030 local terms energy: -667.237556 where: bonds (distance) C4'-P energy: -167.465 bonds (distance) P-C4' energy: -154.140 flat angles C4'-P-C4' energy: -152.750 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -100.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1199.786187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.786187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.786187 (E_RNA) where: Base-Base interactions energy: -663.195 where: short stacking energy: -317.814 Base-Backbone interact. energy: -2.202 local terms energy: -534.389797 where: bonds (distance) C4'-P energy: -129.675 bonds (distance) P-C4' energy: -176.071 flat angles C4'-P-C4' energy: -142.176 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: -17.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -857.425858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.425858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.425858 (E_RNA) where: Base-Base interactions energy: -392.596 where: short stacking energy: -236.646 Base-Backbone interact. energy: 2.177 local terms energy: -467.006891 where: bonds (distance) C4'-P energy: -152.995 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -103.863 flat angles P-C4'-P energy: -54.010 tors. eta vs tors. theta energy: 12.485 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: 88 Temperature: 1.350000 Total energy: -671.536171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.536171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.536171 (E_RNA) where: Base-Base interactions energy: -197.830 where: short stacking energy: -177.704 Base-Backbone interact. energy: -0.199 local terms energy: -473.507325 where: bonds (distance) C4'-P energy: -147.194 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -111.321 flat angles P-C4'-P energy: -88.821 tors. eta vs tors. theta energy: 18.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2843.174434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.174434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.174434 (E_RNA) where: Base-Base interactions energy: -1871.778 where: short stacking energy: -853.878 Base-Backbone interact. energy: 1.119 local terms energy: -972.515975 where: bonds (distance) C4'-P energy: -179.847 bonds (distance) P-C4' energy: -186.979 flat angles C4'-P-C4' energy: -218.445 flat angles P-C4'-P energy: -148.687 tors. eta vs tors. theta energy: -238.557 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: 89 Temperature: 0.950000 Total energy: -2647.093054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.093054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.093054 (E_RNA) where: Base-Base interactions energy: -1764.101 where: short stacking energy: -802.878 Base-Backbone interact. energy: -0.089 local terms energy: -882.903680 where: bonds (distance) C4'-P energy: -186.542 bonds (distance) P-C4' energy: -162.919 flat angles C4'-P-C4' energy: -189.557 flat angles P-C4'-P energy: -123.355 tors. eta vs tors. theta energy: -220.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2462.207088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.207088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.207088 (E_RNA) where: Base-Base interactions energy: -1610.952 where: short stacking energy: -714.670 Base-Backbone interact. energy: -5.894 local terms energy: -845.361587 where: bonds (distance) C4'-P energy: -187.425 bonds (distance) P-C4' energy: -158.716 flat angles C4'-P-C4' energy: -176.936 flat angles P-C4'-P energy: -134.809 tors. eta vs tors. theta energy: -187.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2274.052400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.052400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.052400 (E_RNA) where: Base-Base interactions energy: -1462.474 where: short stacking energy: -687.616 Base-Backbone interact. energy: -3.929 local terms energy: -807.649849 where: bonds (distance) C4'-P energy: -162.166 bonds (distance) P-C4' energy: -176.950 flat angles C4'-P-C4' energy: -177.968 flat angles P-C4'-P energy: -112.001 tors. eta vs tors. theta energy: -178.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2151.659601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.659601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.659601 (E_RNA) where: Base-Base interactions energy: -1366.944 where: short stacking energy: -626.065 Base-Backbone interact. energy: -3.595 local terms energy: -781.120360 where: bonds (distance) C4'-P energy: -163.574 bonds (distance) P-C4' energy: -175.937 flat angles C4'-P-C4' energy: -188.123 flat angles P-C4'-P energy: -97.724 tors. eta vs tors. theta energy: -155.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2017.181104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.181104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.181104 (E_RNA) where: Base-Base interactions energy: -1233.231 where: short stacking energy: -609.530 Base-Backbone interact. energy: 0.408 local terms energy: -784.358122 where: bonds (distance) C4'-P energy: -163.656 bonds (distance) P-C4' energy: -176.975 flat angles C4'-P-C4' energy: -188.373 flat angles P-C4'-P energy: -93.736 tors. eta vs tors. theta energy: -161.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1667.526852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.526852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.526852 (E_RNA) where: Base-Base interactions energy: -1021.907 where: short stacking energy: -489.263 Base-Backbone interact. energy: 3.336 local terms energy: -648.955929 where: bonds (distance) C4'-P energy: -130.310 bonds (distance) P-C4' energy: -151.921 flat angles C4'-P-C4' energy: -163.641 flat angles P-C4'-P energy: -117.930 tors. eta vs tors. theta energy: -85.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1286.241528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.241528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.241528 (E_RNA) where: Base-Base interactions energy: -751.608 where: short stacking energy: -353.373 Base-Backbone interact. energy: 0.945 local terms energy: -535.578192 where: bonds (distance) C4'-P energy: -161.119 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -130.809 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -41.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -815.709419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.709419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.709419 (E_RNA) where: Base-Base interactions energy: -374.680 where: short stacking energy: -225.494 Base-Backbone interact. energy: 8.082 local terms energy: -449.111384 where: bonds (distance) C4'-P energy: -143.430 bonds (distance) P-C4' energy: -160.080 flat angles C4'-P-C4' energy: -113.245 flat angles P-C4'-P energy: -61.319 tors. eta vs tors. theta energy: 28.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -654.256977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.256977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.256977 (E_RNA) where: Base-Base interactions energy: -199.664 where: short stacking energy: -182.394 Base-Backbone interact. energy: 9.113 local terms energy: -463.706584 where: bonds (distance) C4'-P energy: -163.296 bonds (distance) P-C4' energy: -171.973 flat angles C4'-P-C4' energy: -111.261 flat angles P-C4'-P energy: -61.496 tors. eta vs tors. theta energy: 44.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2797.830982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.830982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.830982 (E_RNA) where: Base-Base interactions energy: -1877.854 where: short stacking energy: -842.790 Base-Backbone interact. energy: 9.484 local terms energy: -929.460841 where: bonds (distance) C4'-P energy: -202.804 bonds (distance) P-C4' energy: -167.964 flat angles C4'-P-C4' energy: -199.750 flat angles P-C4'-P energy: -130.801 tors. eta vs tors. theta energy: -228.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2652.740727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.740727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.740727 (E_RNA) where: Base-Base interactions energy: -1744.612 where: short stacking energy: -771.629 Base-Backbone interact. energy: -3.116 local terms energy: -905.012409 where: bonds (distance) C4'-P energy: -172.419 bonds (distance) P-C4' energy: -177.713 flat angles C4'-P-C4' energy: -211.962 flat angles P-C4'-P energy: -123.823 tors. eta vs tors. theta energy: -219.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2468.713451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.713451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.713451 (E_RNA) where: Base-Base interactions energy: -1628.090 where: short stacking energy: -735.369 Base-Backbone interact. energy: -4.599 local terms energy: -836.024279 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -182.003 flat angles C4'-P-C4' energy: -198.478 flat angles P-C4'-P energy: -102.484 tors. eta vs tors. theta energy: -200.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2324.803291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.803291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.803291 (E_RNA) where: Base-Base interactions energy: -1536.174 where: short stacking energy: -737.210 Base-Backbone interact. energy: -1.439 local terms energy: -787.189812 where: bonds (distance) C4'-P energy: -145.802 bonds (distance) P-C4' energy: -172.421 flat angles C4'-P-C4' energy: -179.410 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -186.398 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: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2123.549344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.549344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.549344 (E_RNA) where: Base-Base interactions energy: -1327.546 where: short stacking energy: -634.776 Base-Backbone interact. energy: -2.499 local terms energy: -793.503955 where: bonds (distance) C4'-P energy: -163.694 bonds (distance) P-C4' energy: -174.363 flat angles C4'-P-C4' energy: -177.137 flat angles P-C4'-P energy: -118.381 tors. eta vs tors. theta energy: -159.929 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: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2014.492573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.492573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.492573 (E_RNA) where: Base-Base interactions energy: -1240.233 where: short stacking energy: -561.599 Base-Backbone interact. energy: 3.612 local terms energy: -777.871124 where: bonds (distance) C4'-P energy: -176.074 bonds (distance) P-C4' energy: -157.262 flat angles C4'-P-C4' energy: -175.077 flat angles P-C4'-P energy: -128.912 tors. eta vs tors. theta energy: -140.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1671.123827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.123827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.123827 (E_RNA) where: Base-Base interactions energy: -1003.410 where: short stacking energy: -474.054 Base-Backbone interact. energy: -1.607 local terms energy: -666.106833 where: bonds (distance) C4'-P energy: -147.111 bonds (distance) P-C4' energy: -156.082 flat angles C4'-P-C4' energy: -155.919 flat angles P-C4'-P energy: -107.201 tors. eta vs tors. theta energy: -99.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1280.433831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.433831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.433831 (E_RNA) where: Base-Base interactions energy: -686.325 where: short stacking energy: -367.491 Base-Backbone interact. energy: 2.750 local terms energy: -596.858206 where: bonds (distance) C4'-P energy: -149.436 bonds (distance) P-C4' energy: -174.247 flat angles C4'-P-C4' energy: -138.276 flat angles P-C4'-P energy: -89.616 tors. eta vs tors. theta energy: -45.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -856.845642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.845642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.845642 (E_RNA) where: Base-Base interactions energy: -362.470 where: short stacking energy: -213.161 Base-Backbone interact. energy: 11.238 local terms energy: -505.613630 where: bonds (distance) C4'-P energy: -157.528 bonds (distance) P-C4' energy: -158.339 flat angles C4'-P-C4' energy: -136.263 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: 23.010 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: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -660.615518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.615518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.615518 (E_RNA) where: Base-Base interactions energy: -230.193 where: short stacking energy: -193.762 Base-Backbone interact. energy: 7.683 local terms energy: -438.105289 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -121.584 flat angles P-C4'-P energy: -67.896 tors. eta vs tors. theta energy: 36.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2805.308063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.308063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.308063 (E_RNA) where: Base-Base interactions energy: -1901.907 where: short stacking energy: -823.288 Base-Backbone interact. energy: 6.501 local terms energy: -909.902067 where: bonds (distance) C4'-P energy: -185.868 bonds (distance) P-C4' energy: -177.570 flat angles C4'-P-C4' energy: -205.206 flat angles P-C4'-P energy: -111.036 tors. eta vs tors. theta energy: -230.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2660.332062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.332062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.332062 (E_RNA) where: Base-Base interactions energy: -1744.356 where: short stacking energy: -816.393 Base-Backbone interact. energy: -1.905 local terms energy: -914.071176 where: bonds (distance) C4'-P energy: -181.390 bonds (distance) P-C4' energy: -176.805 flat angles C4'-P-C4' energy: -203.833 flat angles P-C4'-P energy: -128.527 tors. eta vs tors. theta energy: -223.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2468.543154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.543154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.543154 (E_RNA) where: Base-Base interactions energy: -1609.587 where: short stacking energy: -678.438 Base-Backbone interact. energy: -5.404 local terms energy: -853.552152 where: bonds (distance) C4'-P energy: -167.646 bonds (distance) P-C4' energy: -182.353 flat angles C4'-P-C4' energy: -194.508 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -188.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2408.707140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.707140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.707140 (E_RNA) where: Base-Base interactions energy: -1552.636 where: short stacking energy: -712.112 Base-Backbone interact. energy: -3.392 local terms energy: -852.679584 where: bonds (distance) C4'-P energy: -169.256 bonds (distance) P-C4' energy: -167.189 flat angles C4'-P-C4' energy: -192.041 flat angles P-C4'-P energy: -121.008 tors. eta vs tors. theta energy: -203.185 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: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2073.388284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.388284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.388284 (E_RNA) where: Base-Base interactions energy: -1318.839 where: short stacking energy: -627.255 Base-Backbone interact. energy: -4.105 local terms energy: -750.444116 where: bonds (distance) C4'-P energy: -157.225 bonds (distance) P-C4' energy: -178.451 flat angles C4'-P-C4' energy: -175.541 flat angles P-C4'-P energy: -90.676 tors. eta vs tors. theta energy: -148.551 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: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1920.730384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.730384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.730384 (E_RNA) where: Base-Base interactions energy: -1212.854 where: short stacking energy: -564.142 Base-Backbone interact. energy: -0.825 local terms energy: -707.051595 where: bonds (distance) C4'-P energy: -144.818 bonds (distance) P-C4' energy: -158.793 flat angles C4'-P-C4' energy: -171.889 flat angles P-C4'-P energy: -103.625 tors. eta vs tors. theta energy: -127.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1671.809701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.809701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.809701 (E_RNA) where: Base-Base interactions energy: -969.642 where: short stacking energy: -457.644 Base-Backbone interact. energy: -1.109 local terms energy: -701.058441 where: bonds (distance) C4'-P energy: -148.337 bonds (distance) P-C4' energy: -179.172 flat angles C4'-P-C4' energy: -171.939 flat angles P-C4'-P energy: -96.271 tors. eta vs tors. theta energy: -105.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1347.231705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.231705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.231705 (E_RNA) where: Base-Base interactions energy: -758.995 where: short stacking energy: -389.221 Base-Backbone interact. energy: 10.648 local terms energy: -598.885202 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -139.162 flat angles P-C4'-P energy: -85.978 tors. eta vs tors. theta energy: -67.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -873.959346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.959346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.959346 (E_RNA) where: Base-Base interactions energy: -409.117 where: short stacking energy: -249.535 Base-Backbone interact. energy: 0.080 local terms energy: -464.923039 where: bonds (distance) C4'-P energy: -137.646 bonds (distance) P-C4' energy: -139.419 flat angles C4'-P-C4' energy: -132.352 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: 19.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -657.538995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.538995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.538995 (E_RNA) where: Base-Base interactions energy: -219.009 where: short stacking energy: -174.933 Base-Backbone interact. energy: 9.307 local terms energy: -447.836466 where: bonds (distance) C4'-P energy: -149.664 bonds (distance) P-C4' energy: -164.913 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -68.051 tors. eta vs tors. theta energy: 45.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2792.972466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.972466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.972466 (E_RNA) where: Base-Base interactions energy: -1851.386 where: short stacking energy: -832.149 Base-Backbone interact. energy: -0.510 local terms energy: -941.076817 where: bonds (distance) C4'-P energy: -190.605 bonds (distance) P-C4' energy: -190.037 flat angles C4'-P-C4' energy: -204.478 flat angles P-C4'-P energy: -125.833 tors. eta vs tors. theta energy: -230.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2644.274990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.274990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.274990 (E_RNA) where: Base-Base interactions energy: -1744.113 where: short stacking energy: -782.214 Base-Backbone interact. energy: 1.266 local terms energy: -901.428685 where: bonds (distance) C4'-P energy: -169.900 bonds (distance) P-C4' energy: -184.408 flat angles C4'-P-C4' energy: -202.470 flat angles P-C4'-P energy: -122.505 tors. eta vs tors. theta energy: -222.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2462.591730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.591730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.591730 (E_RNA) where: Base-Base interactions energy: -1636.667 where: short stacking energy: -723.174 Base-Backbone interact. energy: -2.692 local terms energy: -823.233502 where: bonds (distance) C4'-P energy: -153.992 bonds (distance) P-C4' energy: -177.372 flat angles C4'-P-C4' energy: -192.994 flat angles P-C4'-P energy: -118.805 tors. eta vs tors. theta energy: -180.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2355.724723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.724723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.724723 (E_RNA) where: Base-Base interactions energy: -1518.740 where: short stacking energy: -694.123 Base-Backbone interact. energy: -0.112 local terms energy: -836.872905 where: bonds (distance) C4'-P energy: -180.498 bonds (distance) P-C4' energy: -164.975 flat angles C4'-P-C4' energy: -199.981 flat angles P-C4'-P energy: -111.671 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: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2118.619713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.619713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.619713 (E_RNA) where: Base-Base interactions energy: -1369.721 where: short stacking energy: -623.443 Base-Backbone interact. energy: -3.834 local terms energy: -745.064707 where: bonds (distance) C4'-P energy: -158.295 bonds (distance) P-C4' energy: -153.776 flat angles C4'-P-C4' energy: -177.559 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -151.057 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: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1817.889297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.889297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.889297 (E_RNA) where: Base-Base interactions energy: -1101.579 where: short stacking energy: -507.325 Base-Backbone interact. energy: -3.278 local terms energy: -713.032036 where: bonds (distance) C4'-P energy: -148.909 bonds (distance) P-C4' energy: -170.183 flat angles C4'-P-C4' energy: -170.347 flat angles P-C4'-P energy: -108.754 tors. eta vs tors. theta energy: -114.838 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: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1727.033589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.033589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.033589 (E_RNA) where: Base-Base interactions energy: -1065.847 where: short stacking energy: -478.249 Base-Backbone interact. energy: 5.172 local terms energy: -666.358861 where: bonds (distance) C4'-P energy: -139.397 bonds (distance) P-C4' energy: -160.930 flat angles C4'-P-C4' energy: -162.953 flat angles P-C4'-P energy: -92.023 tors. eta vs tors. theta energy: -111.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1399.448784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.448784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.448784 (E_RNA) where: Base-Base interactions energy: -787.472 where: short stacking energy: -395.120 Base-Backbone interact. energy: -0.532 local terms energy: -611.443894 where: bonds (distance) C4'-P energy: -148.061 bonds (distance) P-C4' energy: -152.843 flat angles C4'-P-C4' energy: -165.273 flat angles P-C4'-P energy: -71.679 tors. eta vs tors. theta energy: -73.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -946.659942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.659942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.659942 (E_RNA) where: Base-Base interactions energy: -448.088 where: short stacking energy: -288.590 Base-Backbone interact. energy: 0.733 local terms energy: -499.305372 where: bonds (distance) C4'-P energy: -129.273 bonds (distance) P-C4' energy: -122.294 flat angles C4'-P-C4' energy: -138.635 flat angles P-C4'-P energy: -94.243 tors. eta vs tors. theta energy: -14.860 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: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -690.957320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.957320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.957320 (E_RNA) where: Base-Base interactions energy: -255.015 where: short stacking energy: -212.322 Base-Backbone interact. energy: 6.554 local terms energy: -442.496157 where: bonds (distance) C4'-P energy: -131.369 bonds (distance) P-C4' energy: -152.090 flat angles C4'-P-C4' energy: -134.275 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: 50.738 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: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2814.081933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.081933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.081933 (E_RNA) where: Base-Base interactions energy: -1889.287 where: short stacking energy: -819.577 Base-Backbone interact. energy: -2.582 local terms energy: -922.213264 where: bonds (distance) C4'-P energy: -189.226 bonds (distance) P-C4' energy: -177.549 flat angles C4'-P-C4' energy: -208.172 flat angles P-C4'-P energy: -111.902 tors. eta vs tors. theta energy: -235.366 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: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2606.891462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.891462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.891462 (E_RNA) where: Base-Base interactions energy: -1706.431 where: short stacking energy: -769.902 Base-Backbone interact. energy: -4.028 local terms energy: -896.432299 where: bonds (distance) C4'-P energy: -193.523 bonds (distance) P-C4' energy: -192.637 flat angles C4'-P-C4' energy: -185.876 flat angles P-C4'-P energy: -113.292 tors. eta vs tors. theta energy: -211.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2485.985164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.985164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.985164 (E_RNA) where: Base-Base interactions energy: -1635.990 where: short stacking energy: -714.467 Base-Backbone interact. energy: -7.757 local terms energy: -842.237893 where: bonds (distance) C4'-P energy: -159.094 bonds (distance) P-C4' energy: -185.846 flat angles C4'-P-C4' energy: -178.774 flat angles P-C4'-P energy: -114.581 tors. eta vs tors. theta energy: -203.942 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: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2363.572313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.572313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.572313 (E_RNA) where: Base-Base interactions energy: -1519.666 where: short stacking energy: -711.130 Base-Backbone interact. energy: 0.640 local terms energy: -844.546611 where: bonds (distance) C4'-P energy: -162.517 bonds (distance) P-C4' energy: -176.441 flat angles C4'-P-C4' energy: -187.308 flat angles P-C4'-P energy: -121.110 tors. eta vs tors. theta energy: -197.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2150.713179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.713179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.713179 (E_RNA) where: Base-Base interactions energy: -1392.883 where: short stacking energy: -625.386 Base-Backbone interact. energy: 2.618 local terms energy: -760.448608 where: bonds (distance) C4'-P energy: -181.482 bonds (distance) P-C4' energy: -145.954 flat angles C4'-P-C4' energy: -177.463 flat angles P-C4'-P energy: -103.478 tors. eta vs tors. theta energy: -152.071 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: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1831.254427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.254427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.254427 (E_RNA) where: Base-Base interactions energy: -1139.269 where: short stacking energy: -501.021 Base-Backbone interact. energy: -0.554 local terms energy: -691.431065 where: bonds (distance) C4'-P energy: -154.304 bonds (distance) P-C4' energy: -182.055 flat angles C4'-P-C4' energy: -149.025 flat angles P-C4'-P energy: -108.267 tors. eta vs tors. theta energy: -97.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1675.640171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.640171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.640171 (E_RNA) where: Base-Base interactions energy: -1041.089 where: short stacking energy: -473.315 Base-Backbone interact. energy: 1.195 local terms energy: -635.746353 where: bonds (distance) C4'-P energy: -138.777 bonds (distance) P-C4' energy: -156.873 flat angles C4'-P-C4' energy: -174.922 flat angles P-C4'-P energy: -90.375 tors. eta vs tors. theta energy: -74.799 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: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1396.039603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.039603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.039603 (E_RNA) where: Base-Base interactions energy: -782.332 where: short stacking energy: -402.564 Base-Backbone interact. energy: 5.592 local terms energy: -619.299498 where: bonds (distance) C4'-P energy: -162.510 bonds (distance) P-C4' energy: -157.175 flat angles C4'-P-C4' energy: -156.589 flat angles P-C4'-P energy: -87.676 tors. eta vs tors. theta energy: -55.349 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: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -978.438274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.438274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.438274 (E_RNA) where: Base-Base interactions energy: -485.809 where: short stacking energy: -306.163 Base-Backbone interact. energy: -0.145 local terms energy: -492.484669 where: bonds (distance) C4'-P energy: -130.850 bonds (distance) P-C4' energy: -142.194 flat angles C4'-P-C4' energy: -128.648 flat angles P-C4'-P energy: -79.535 tors. eta vs tors. theta energy: -11.258 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: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -664.575063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.575063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.575063 (E_RNA) where: Base-Base interactions energy: -220.287 where: short stacking energy: -175.694 Base-Backbone interact. energy: -2.627 local terms energy: -441.660867 where: bonds (distance) C4'-P energy: -117.234 bonds (distance) P-C4' energy: -154.574 flat angles C4'-P-C4' energy: -125.968 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: 27.715 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: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2842.084299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.084299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.084299 (E_RNA) where: Base-Base interactions energy: -1883.204 where: short stacking energy: -843.224 Base-Backbone interact. energy: 0.990 local terms energy: -959.869532 where: bonds (distance) C4'-P energy: -197.066 bonds (distance) P-C4' energy: -185.091 flat angles C4'-P-C4' energy: -220.058 flat angles P-C4'-P energy: -131.139 tors. eta vs tors. theta energy: -226.516 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: 94 Temperature: 0.950000 Total energy: -2672.878659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.878659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.878659 (E_RNA) where: Base-Base interactions energy: -1759.630 where: short stacking energy: -785.782 Base-Backbone interact. energy: -0.197 local terms energy: -913.051064 where: bonds (distance) C4'-P energy: -173.637 bonds (distance) P-C4' energy: -185.435 flat angles C4'-P-C4' energy: -205.474 flat angles P-C4'-P energy: -121.783 tors. eta vs tors. theta energy: -226.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2498.109232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.109232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.109232 (E_RNA) where: Base-Base interactions energy: -1671.481 where: short stacking energy: -732.233 Base-Backbone interact. energy: -4.889 local terms energy: -821.739119 where: bonds (distance) C4'-P energy: -173.527 bonds (distance) P-C4' energy: -173.489 flat angles C4'-P-C4' energy: -184.271 flat angles P-C4'-P energy: -109.227 tors. eta vs tors. theta energy: -181.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2334.229452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.229452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.229452 (E_RNA) where: Base-Base interactions energy: -1528.746 where: short stacking energy: -708.381 Base-Backbone interact. energy: -4.472 local terms energy: -801.011108 where: bonds (distance) C4'-P energy: -150.636 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -193.712 flat angles P-C4'-P energy: -114.678 tors. eta vs tors. theta energy: -187.429 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2251.314837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.314837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.314837 (E_RNA) where: Base-Base interactions energy: -1488.007 where: short stacking energy: -659.137 Base-Backbone interact. energy: -3.808 local terms energy: -759.500162 where: bonds (distance) C4'-P energy: -149.984 bonds (distance) P-C4' energy: -155.540 flat angles C4'-P-C4' energy: -171.022 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -174.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1900.320690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.320690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.320690 (E_RNA) where: Base-Base interactions energy: -1179.367 where: short stacking energy: -559.658 Base-Backbone interact. energy: 3.095 local terms energy: -724.049544 where: bonds (distance) C4'-P energy: -176.134 bonds (distance) P-C4' energy: -159.509 flat angles C4'-P-C4' energy: -172.248 flat angles P-C4'-P energy: -95.381 tors. eta vs tors. theta energy: -120.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1700.087687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.087687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.087687 (E_RNA) where: Base-Base interactions energy: -1025.313 where: short stacking energy: -457.302 Base-Backbone interact. energy: -0.573 local terms energy: -674.202218 where: bonds (distance) C4'-P energy: -159.372 bonds (distance) P-C4' energy: -168.205 flat angles C4'-P-C4' energy: -162.931 flat angles P-C4'-P energy: -97.938 tors. eta vs tors. theta energy: -85.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1403.275972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.275972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.275972 (E_RNA) where: Base-Base interactions energy: -819.843 where: short stacking energy: -389.547 Base-Backbone interact. energy: -1.690 local terms energy: -581.742339 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -155.505 flat angles C4'-P-C4' energy: -147.244 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: -56.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -979.754807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.754807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.754807 (E_RNA) where: Base-Base interactions energy: -472.369 where: short stacking energy: -270.157 Base-Backbone interact. energy: 2.140 local terms energy: -509.526414 where: bonds (distance) C4'-P energy: -149.398 bonds (distance) P-C4' energy: -165.243 flat angles C4'-P-C4' energy: -128.852 flat angles P-C4'-P energy: -61.685 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -673.979098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.979098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.979098 (E_RNA) where: Base-Base interactions energy: -223.409 where: short stacking energy: -189.636 Base-Backbone interact. energy: 0.940 local terms energy: -451.509963 where: bonds (distance) C4'-P energy: -162.499 bonds (distance) P-C4' energy: -160.801 flat angles C4'-P-C4' energy: -126.968 flat angles P-C4'-P energy: -69.216 tors. eta vs tors. theta energy: 67.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2821.766379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.766379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.766379 (E_RNA) where: Base-Base interactions energy: -1898.388 where: short stacking energy: -839.822 Base-Backbone interact. energy: 1.131 local terms energy: -924.509229 where: bonds (distance) C4'-P energy: -173.353 bonds (distance) P-C4' energy: -188.955 flat angles C4'-P-C4' energy: -204.718 flat angles P-C4'-P energy: -132.632 tors. eta vs tors. theta energy: -224.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2652.830600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.830600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.830600 (E_RNA) where: Base-Base interactions energy: -1754.380 where: short stacking energy: -778.708 Base-Backbone interact. energy: -6.233 local terms energy: -892.217316 where: bonds (distance) C4'-P energy: -187.515 bonds (distance) P-C4' energy: -175.453 flat angles C4'-P-C4' energy: -188.363 flat angles P-C4'-P energy: -111.543 tors. eta vs tors. theta energy: -229.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2453.819484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.819484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.819484 (E_RNA) where: Base-Base interactions energy: -1637.931 where: short stacking energy: -718.425 Base-Backbone interact. energy: -2.014 local terms energy: -813.874465 where: bonds (distance) C4'-P energy: -146.252 bonds (distance) P-C4' energy: -168.419 flat angles C4'-P-C4' energy: -191.759 flat angles P-C4'-P energy: -118.075 tors. eta vs tors. theta energy: -189.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2412.953625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.953625 (E_RNA) where: Base-Base interactions energy: -1576.386 where: short stacking energy: -688.718 Base-Backbone interact. energy: -2.983 local terms energy: -833.584605 where: bonds (distance) C4'-P energy: -165.968 bonds (distance) P-C4' energy: -182.875 flat angles C4'-P-C4' energy: -175.051 flat angles P-C4'-P energy: -125.030 tors. eta vs tors. theta energy: -184.661 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: 10 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2275.314201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.314201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.314201 (E_RNA) where: Base-Base interactions energy: -1460.774 where: short stacking energy: -664.216 Base-Backbone interact. energy: 0.876 local terms energy: -815.416137 where: bonds (distance) C4'-P energy: -165.986 bonds (distance) P-C4' energy: -182.267 flat angles C4'-P-C4' energy: -181.934 flat angles P-C4'-P energy: -93.415 tors. eta vs tors. theta energy: -191.814 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: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1927.224760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.224760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.224760 (E_RNA) where: Base-Base interactions energy: -1232.245 where: short stacking energy: -557.268 Base-Backbone interact. energy: -2.459 local terms energy: -692.521112 where: bonds (distance) C4'-P energy: -147.657 bonds (distance) P-C4' energy: -155.356 flat angles C4'-P-C4' energy: -175.825 flat angles P-C4'-P energy: -100.694 tors. eta vs tors. theta energy: -112.989 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: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1725.167263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.167263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.167263 (E_RNA) where: Base-Base interactions energy: -1043.433 where: short stacking energy: -480.032 Base-Backbone interact. energy: 1.362 local terms energy: -683.096535 where: bonds (distance) C4'-P energy: -154.344 bonds (distance) P-C4' energy: -149.065 flat angles C4'-P-C4' energy: -166.793 flat angles P-C4'-P energy: -109.775 tors. eta vs tors. theta energy: -103.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1408.170199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.170199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.170199 (E_RNA) where: Base-Base interactions energy: -828.311 where: short stacking energy: -354.602 Base-Backbone interact. energy: 3.901 local terms energy: -583.759765 where: bonds (distance) C4'-P energy: -136.724 bonds (distance) P-C4' energy: -145.872 flat angles C4'-P-C4' energy: -155.594 flat angles P-C4'-P energy: -90.534 tors. eta vs tors. theta energy: -55.036 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: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -964.999213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.999213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.999213 (E_RNA) where: Base-Base interactions energy: -473.145 where: short stacking energy: -272.800 Base-Backbone interact. energy: 7.456 local terms energy: -499.310367 where: bonds (distance) C4'-P energy: -132.579 bonds (distance) P-C4' energy: -150.282 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -94.158 tors. eta vs tors. theta energy: 16.177 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: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -727.483755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.483755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.483755 (E_RNA) where: Base-Base interactions energy: -287.607 where: short stacking energy: -217.396 Base-Backbone interact. energy: 5.360 local terms energy: -445.237229 where: bonds (distance) C4'-P energy: -165.575 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -112.255 flat angles P-C4'-P energy: -57.524 tors. eta vs tors. theta energy: 31.395 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: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2812.882318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.882318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.882318 (E_RNA) where: Base-Base interactions energy: -1881.419 where: short stacking energy: -826.174 Base-Backbone interact. energy: -2.545 local terms energy: -928.918496 where: bonds (distance) C4'-P energy: -189.825 bonds (distance) P-C4' energy: -180.161 flat angles C4'-P-C4' energy: -193.061 flat angles P-C4'-P energy: -133.923 tors. eta vs tors. theta energy: -231.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2707.723815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.723815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.723815 (E_RNA) where: Base-Base interactions energy: -1799.504 where: short stacking energy: -793.282 Base-Backbone interact. energy: -0.883 local terms energy: -907.337067 where: bonds (distance) C4'-P energy: -171.572 bonds (distance) P-C4' energy: -181.142 flat angles C4'-P-C4' energy: -188.577 flat angles P-C4'-P energy: -145.921 tors. eta vs tors. theta energy: -220.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2536.098141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.098141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.098141 (E_RNA) where: Base-Base interactions energy: -1687.882 where: short stacking energy: -724.233 Base-Backbone interact. energy: 4.418 local terms energy: -852.633794 where: bonds (distance) C4'-P energy: -167.337 bonds (distance) P-C4' energy: -179.212 flat angles C4'-P-C4' energy: -181.811 flat angles P-C4'-P energy: -127.236 tors. eta vs tors. theta energy: -197.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2395.196195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.196195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.196195 (E_RNA) where: Base-Base interactions energy: -1575.568 where: short stacking energy: -714.096 Base-Backbone interact. energy: -1.842 local terms energy: -817.785675 where: bonds (distance) C4'-P energy: -158.281 bonds (distance) P-C4' energy: -155.006 flat angles C4'-P-C4' energy: -181.118 flat angles P-C4'-P energy: -121.341 tors. eta vs tors. theta energy: -202.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2235.192170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.192170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.192170 (E_RNA) where: Base-Base interactions energy: -1459.567 where: short stacking energy: -638.389 Base-Backbone interact. energy: -1.077 local terms energy: -774.548329 where: bonds (distance) C4'-P energy: -160.639 bonds (distance) P-C4' energy: -163.225 flat angles C4'-P-C4' energy: -185.322 flat angles P-C4'-P energy: -107.071 tors. eta vs tors. theta energy: -158.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1845.866378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.866378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.866378 (E_RNA) where: Base-Base interactions energy: -1150.272 where: short stacking energy: -525.321 Base-Backbone interact. energy: 0.934 local terms energy: -696.528328 where: bonds (distance) C4'-P energy: -161.869 bonds (distance) P-C4' energy: -159.939 flat angles C4'-P-C4' energy: -148.366 flat angles P-C4'-P energy: -116.428 tors. eta vs tors. theta energy: -109.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1709.694885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.694885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.694885 (E_RNA) where: Base-Base interactions energy: -1042.286 where: short stacking energy: -481.089 Base-Backbone interact. energy: -1.545 local terms energy: -665.863335 where: bonds (distance) C4'-P energy: -140.777 bonds (distance) P-C4' energy: -176.772 flat angles C4'-P-C4' energy: -136.018 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -108.367 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: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1392.031761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.031761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.031761 (E_RNA) where: Base-Base interactions energy: -838.628 where: short stacking energy: -402.917 Base-Backbone interact. energy: -0.177 local terms energy: -553.226595 where: bonds (distance) C4'-P energy: -140.556 bonds (distance) P-C4' energy: -153.948 flat angles C4'-P-C4' energy: -143.955 flat angles P-C4'-P energy: -66.570 tors. eta vs tors. theta energy: -48.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1036.464553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.464553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.464553 (E_RNA) where: Base-Base interactions energy: -511.911 where: short stacking energy: -283.243 Base-Backbone interact. energy: 1.711 local terms energy: -526.263837 where: bonds (distance) C4'-P energy: -140.418 bonds (distance) P-C4' energy: -156.232 flat angles C4'-P-C4' energy: -138.909 flat angles P-C4'-P energy: -100.035 tors. eta vs tors. theta energy: 9.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -806.424929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.424929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.424929 (E_RNA) where: Base-Base interactions energy: -340.529 where: short stacking energy: -233.261 Base-Backbone interact. energy: -2.311 local terms energy: -463.585398 where: bonds (distance) C4'-P energy: -132.153 bonds (distance) P-C4' energy: -161.915 flat angles C4'-P-C4' energy: -125.165 flat angles P-C4'-P energy: -65.860 tors. eta vs tors. theta energy: 21.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2806.303346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.303346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.303346 (E_RNA) where: Base-Base interactions energy: -1877.569 where: short stacking energy: -808.456 Base-Backbone interact. energy: -4.336 local terms energy: -924.397932 where: bonds (distance) C4'-P energy: -184.388 bonds (distance) P-C4' energy: -184.782 flat angles C4'-P-C4' energy: -205.078 flat angles P-C4'-P energy: -124.239 tors. eta vs tors. theta energy: -225.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2683.209004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.209004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.209004 (E_RNA) where: Base-Base interactions energy: -1752.595 where: short stacking energy: -789.241 Base-Backbone interact. energy: -0.552 local terms energy: -930.062570 where: bonds (distance) C4'-P energy: -177.315 bonds (distance) P-C4' energy: -188.595 flat angles C4'-P-C4' energy: -208.796 flat angles P-C4'-P energy: -139.992 tors. eta vs tors. theta energy: -215.364 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: 97 Temperature: 1.000000 Total energy: -2530.154504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.154504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.154504 (E_RNA) where: Base-Base interactions energy: -1692.129 where: short stacking energy: -734.860 Base-Backbone interact. energy: -5.536 local terms energy: -832.489617 where: bonds (distance) C4'-P energy: -167.746 bonds (distance) P-C4' energy: -172.916 flat angles C4'-P-C4' energy: -182.886 flat angles P-C4'-P energy: -99.238 tors. eta vs tors. theta energy: -209.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2417.250238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.250238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.250238 (E_RNA) where: Base-Base interactions energy: -1596.469 where: short stacking energy: -733.255 Base-Backbone interact. energy: -4.251 local terms energy: -816.530460 where: bonds (distance) C4'-P energy: -158.372 bonds (distance) P-C4' energy: -165.506 flat angles C4'-P-C4' energy: -185.568 flat angles P-C4'-P energy: -112.947 tors. eta vs tors. theta energy: -194.138 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: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2231.226320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.226320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.226320 (E_RNA) where: Base-Base interactions energy: -1434.990 where: short stacking energy: -638.640 Base-Backbone interact. energy: 0.083 local terms energy: -796.319613 where: bonds (distance) C4'-P energy: -173.729 bonds (distance) P-C4' energy: -171.162 flat angles C4'-P-C4' energy: -185.758 flat angles P-C4'-P energy: -104.844 tors. eta vs tors. theta energy: -160.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1917.976973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.976973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.976973 (E_RNA) where: Base-Base interactions energy: -1225.435 where: short stacking energy: -590.423 Base-Backbone interact. energy: -3.440 local terms energy: -689.101687 where: bonds (distance) C4'-P energy: -160.131 bonds (distance) P-C4' energy: -161.024 flat angles C4'-P-C4' energy: -166.098 flat angles P-C4'-P energy: -88.363 tors. eta vs tors. theta energy: -113.486 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: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1707.232012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.232012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.232012 (E_RNA) where: Base-Base interactions energy: -1029.060 where: short stacking energy: -472.068 Base-Backbone interact. energy: -0.555 local terms energy: -677.616387 where: bonds (distance) C4'-P energy: -148.873 bonds (distance) P-C4' energy: -163.804 flat angles C4'-P-C4' energy: -176.267 flat angles P-C4'-P energy: -85.871 tors. eta vs tors. theta energy: -102.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1366.899237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.899237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.899237 (E_RNA) where: Base-Base interactions energy: -780.964 where: short stacking energy: -384.907 Base-Backbone interact. energy: -0.965 local terms energy: -584.970047 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -161.794 flat angles C4'-P-C4' energy: -161.320 flat angles P-C4'-P energy: -78.778 tors. eta vs tors. theta energy: -47.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1081.088233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.088233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.088233 (E_RNA) where: Base-Base interactions energy: -535.263 where: short stacking energy: -310.184 Base-Backbone interact. energy: 5.256 local terms energy: -551.081846 where: bonds (distance) C4'-P energy: -138.652 bonds (distance) P-C4' energy: -176.260 flat angles C4'-P-C4' energy: -128.729 flat angles P-C4'-P energy: -78.108 tors. eta vs tors. theta energy: -29.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -762.012664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.012664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.012664 (E_RNA) where: Base-Base interactions energy: -316.705 where: short stacking energy: -195.308 Base-Backbone interact. energy: 3.252 local terms energy: -448.559297 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -168.966 flat angles C4'-P-C4' energy: -117.792 flat angles P-C4'-P energy: -76.677 tors. eta vs tors. theta energy: 37.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2789.543166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.543166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.543166 (E_RNA) where: Base-Base interactions energy: -1880.632 where: short stacking energy: -798.517 Base-Backbone interact. energy: 0.093 local terms energy: -909.004164 where: bonds (distance) C4'-P energy: -174.154 bonds (distance) P-C4' energy: -182.764 flat angles C4'-P-C4' energy: -199.139 flat angles P-C4'-P energy: -124.242 tors. eta vs tors. theta energy: -228.705 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: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2644.156645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.156645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.156645 (E_RNA) where: Base-Base interactions energy: -1739.276 where: short stacking energy: -778.806 Base-Backbone interact. energy: -3.547 local terms energy: -901.333766 where: bonds (distance) C4'-P energy: -184.131 bonds (distance) P-C4' energy: -172.940 flat angles C4'-P-C4' energy: -207.736 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -223.065 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: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2526.968918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.968918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.968918 (E_RNA) where: Base-Base interactions energy: -1679.410 where: short stacking energy: -707.073 Base-Backbone interact. energy: 1.058 local terms energy: -848.617685 where: bonds (distance) C4'-P energy: -184.021 bonds (distance) P-C4' energy: -160.145 flat angles C4'-P-C4' energy: -183.802 flat angles P-C4'-P energy: -115.755 tors. eta vs tors. theta energy: -204.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2458.375216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.375216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.375216 (E_RNA) where: Base-Base interactions energy: -1621.874 where: short stacking energy: -716.469 Base-Backbone interact. energy: -3.953 local terms energy: -832.549007 where: bonds (distance) C4'-P energy: -179.358 bonds (distance) P-C4' energy: -162.049 flat angles C4'-P-C4' energy: -179.194 flat angles P-C4'-P energy: -111.971 tors. eta vs tors. theta energy: -199.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2236.903820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.903820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.903820 (E_RNA) where: Base-Base interactions energy: -1468.137 where: short stacking energy: -691.383 Base-Backbone interact. energy: 3.087 local terms energy: -771.853164 where: bonds (distance) C4'-P energy: -149.526 bonds (distance) P-C4' energy: -158.732 flat angles C4'-P-C4' energy: -169.271 flat angles P-C4'-P energy: -114.771 tors. eta vs tors. theta energy: -179.553 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: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1815.399010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.399010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.399010 (E_RNA) where: Base-Base interactions energy: -1163.368 where: short stacking energy: -537.459 Base-Backbone interact. energy: 1.480 local terms energy: -653.511131 where: bonds (distance) C4'-P energy: -130.699 bonds (distance) P-C4' energy: -140.815 flat angles C4'-P-C4' energy: -151.295 flat angles P-C4'-P energy: -125.326 tors. eta vs tors. theta energy: -105.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1633.282959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.282959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.282959 (E_RNA) where: Base-Base interactions energy: -969.610 where: short stacking energy: -469.456 Base-Backbone interact. energy: 0.388 local terms energy: -664.060907 where: bonds (distance) C4'-P energy: -154.793 bonds (distance) P-C4' energy: -164.708 flat angles C4'-P-C4' energy: -157.389 flat angles P-C4'-P energy: -99.060 tors. eta vs tors. theta energy: -88.111 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: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1396.337658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.337658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.337658 (E_RNA) where: Base-Base interactions energy: -793.637 where: short stacking energy: -391.231 Base-Backbone interact. energy: -2.200 local terms energy: -600.500612 where: bonds (distance) C4'-P energy: -149.693 bonds (distance) P-C4' energy: -143.304 flat angles C4'-P-C4' energy: -149.518 flat angles P-C4'-P energy: -97.529 tors. eta vs tors. theta energy: -60.456 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: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1106.561111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.561111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.561111 (E_RNA) where: Base-Base interactions energy: -569.215 where: short stacking energy: -289.834 Base-Backbone interact. energy: -2.086 local terms energy: -535.260030 where: bonds (distance) C4'-P energy: -140.351 bonds (distance) P-C4' energy: -140.203 flat angles C4'-P-C4' energy: -145.325 flat angles P-C4'-P energy: -91.522 tors. eta vs tors. theta energy: -17.860 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: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -764.687202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.687202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.687202 (E_RNA) where: Base-Base interactions energy: -304.734 where: short stacking energy: -198.774 Base-Backbone interact. energy: -1.807 local terms energy: -458.146578 where: bonds (distance) C4'-P energy: -134.186 bonds (distance) P-C4' energy: -149.834 flat angles C4'-P-C4' energy: -120.975 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: 43.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2813.769291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.769291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.769291 (E_RNA) where: Base-Base interactions energy: -1865.571 where: short stacking energy: -838.313 Base-Backbone interact. energy: -3.588 local terms energy: -944.610435 where: bonds (distance) C4'-P energy: -195.562 bonds (distance) P-C4' energy: -188.940 flat angles C4'-P-C4' energy: -201.260 flat angles P-C4'-P energy: -118.640 tors. eta vs tors. theta energy: -240.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2679.120340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.120340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.120340 (E_RNA) where: Base-Base interactions energy: -1790.440 where: short stacking energy: -785.286 Base-Backbone interact. energy: -5.230 local terms energy: -883.450418 where: bonds (distance) C4'-P energy: -175.822 bonds (distance) P-C4' energy: -168.280 flat angles C4'-P-C4' energy: -189.652 flat angles P-C4'-P energy: -124.083 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: 3, replica: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2588.006953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.006953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.006953 (E_RNA) where: Base-Base interactions energy: -1720.711 where: short stacking energy: -725.078 Base-Backbone interact. energy: -0.637 local terms energy: -866.658929 where: bonds (distance) C4'-P energy: -168.755 bonds (distance) P-C4' energy: -165.108 flat angles C4'-P-C4' energy: -205.189 flat angles P-C4'-P energy: -127.191 tors. eta vs tors. theta energy: -200.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2411.963653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.963653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.963653 (E_RNA) where: Base-Base interactions energy: -1600.005 where: short stacking energy: -712.176 Base-Backbone interact. energy: -0.057 local terms energy: -811.902264 where: bonds (distance) C4'-P energy: -154.681 bonds (distance) P-C4' energy: -178.971 flat angles C4'-P-C4' energy: -179.716 flat angles P-C4'-P energy: -103.444 tors. eta vs tors. theta energy: -195.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2197.981601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.981601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.981601 (E_RNA) where: Base-Base interactions energy: -1418.833 where: short stacking energy: -615.059 Base-Backbone interact. energy: 2.111 local terms energy: -781.259816 where: bonds (distance) C4'-P energy: -169.483 bonds (distance) P-C4' energy: -166.579 flat angles C4'-P-C4' energy: -173.860 flat angles P-C4'-P energy: -114.435 tors. eta vs tors. theta energy: -156.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1876.520958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.520958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.520958 (E_RNA) where: Base-Base interactions energy: -1182.183 where: short stacking energy: -555.995 Base-Backbone interact. energy: -5.115 local terms energy: -689.223347 where: bonds (distance) C4'-P energy: -163.149 bonds (distance) P-C4' energy: -145.969 flat angles C4'-P-C4' energy: -167.449 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -129.879 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: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1652.427021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.427021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.427021 (E_RNA) where: Base-Base interactions energy: -1030.067 where: short stacking energy: -457.638 Base-Backbone interact. energy: -1.694 local terms energy: -620.666780 where: bonds (distance) C4'-P energy: -156.665 bonds (distance) P-C4' energy: -140.005 flat angles C4'-P-C4' energy: -149.370 flat angles P-C4'-P energy: -84.196 tors. eta vs tors. theta energy: -90.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1300.799425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.799425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.799425 (E_RNA) where: Base-Base interactions energy: -729.554 where: short stacking energy: -367.420 Base-Backbone interact. energy: 3.086 local terms energy: -574.330927 where: bonds (distance) C4'-P energy: -142.540 bonds (distance) P-C4' energy: -172.250 flat angles C4'-P-C4' energy: -150.352 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: -40.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1040.256083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.256083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.256083 (E_RNA) where: Base-Base interactions energy: -524.544 where: short stacking energy: -251.707 Base-Backbone interact. energy: 2.435 local terms energy: -518.148018 where: bonds (distance) C4'-P energy: -157.608 bonds (distance) P-C4' energy: -142.394 flat angles C4'-P-C4' energy: -136.302 flat angles P-C4'-P energy: -78.502 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -770.629049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.629049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.629049 (E_RNA) where: Base-Base interactions energy: -304.247 where: short stacking energy: -174.979 Base-Backbone interact. energy: -5.034 local terms energy: -461.348096 where: bonds (distance) C4'-P energy: -131.350 bonds (distance) P-C4' energy: -158.668 flat angles C4'-P-C4' energy: -126.280 flat angles P-C4'-P energy: -81.483 tors. eta vs tors. theta energy: 36.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2797.484990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.484990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.484990 (E_RNA) where: Base-Base interactions energy: -1892.614 where: short stacking energy: -843.259 Base-Backbone interact. energy: 1.713 local terms energy: -906.583609 where: bonds (distance) C4'-P energy: -173.781 bonds (distance) P-C4' energy: -170.371 flat angles C4'-P-C4' energy: -201.525 flat angles P-C4'-P energy: -125.840 tors. eta vs tors. theta energy: -235.067 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: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2696.868403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.868403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.868403 (E_RNA) where: Base-Base interactions energy: -1805.302 where: short stacking energy: -781.069 Base-Backbone interact. energy: -3.738 local terms energy: -887.828430 where: bonds (distance) C4'-P energy: -166.758 bonds (distance) P-C4' energy: -195.665 flat angles C4'-P-C4' energy: -190.048 flat angles P-C4'-P energy: -112.969 tors. eta vs tors. theta energy: -222.389 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: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2552.163989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.163989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.163989 (E_RNA) where: Base-Base interactions energy: -1678.301 where: short stacking energy: -729.759 Base-Backbone interact. energy: -2.811 local terms energy: -871.051578 where: bonds (distance) C4'-P energy: -181.104 bonds (distance) P-C4' energy: -169.736 flat angles C4'-P-C4' energy: -190.913 flat angles P-C4'-P energy: -126.834 tors. eta vs tors. theta energy: -202.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2434.767267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.767267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.767267 (E_RNA) where: Base-Base interactions energy: -1606.523 where: short stacking energy: -732.781 Base-Backbone interact. energy: -5.744 local terms energy: -822.500010 where: bonds (distance) C4'-P energy: -152.554 bonds (distance) P-C4' energy: -167.146 flat angles C4'-P-C4' energy: -176.250 flat angles P-C4'-P energy: -127.457 tors. eta vs tors. theta energy: -199.094 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: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2242.458488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.458488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.458488 (E_RNA) where: Base-Base interactions energy: -1439.272 where: short stacking energy: -619.323 Base-Backbone interact. energy: -0.922 local terms energy: -802.264608 where: bonds (distance) C4'-P energy: -169.849 bonds (distance) P-C4' energy: -178.202 flat angles C4'-P-C4' energy: -178.200 flat angles P-C4'-P energy: -103.023 tors. eta vs tors. theta energy: -172.991 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: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1841.726276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.726276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.726276 (E_RNA) where: Base-Base interactions energy: -1137.390 where: short stacking energy: -546.898 Base-Backbone interact. energy: -1.344 local terms energy: -702.991872 where: bonds (distance) C4'-P energy: -153.688 bonds (distance) P-C4' energy: -159.129 flat angles C4'-P-C4' energy: -165.955 flat angles P-C4'-P energy: -116.978 tors. eta vs tors. theta energy: -107.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1728.646270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.646270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.646270 (E_RNA) where: Base-Base interactions energy: -1088.814 where: short stacking energy: -500.540 Base-Backbone interact. energy: -0.924 local terms energy: -638.908434 where: bonds (distance) C4'-P energy: -145.277 bonds (distance) P-C4' energy: -128.975 flat angles C4'-P-C4' energy: -148.466 flat angles P-C4'-P energy: -116.422 tors. eta vs tors. theta energy: -99.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1333.814476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.814476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.814476 (E_RNA) where: Base-Base interactions energy: -740.335 where: short stacking energy: -375.809 Base-Backbone interact. energy: -0.727 local terms energy: -592.752383 where: bonds (distance) C4'-P energy: -139.038 bonds (distance) P-C4' energy: -149.656 flat angles C4'-P-C4' energy: -151.225 flat angles P-C4'-P energy: -88.241 tors. eta vs tors. theta energy: -64.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1103.810683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.810683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.810683 (E_RNA) where: Base-Base interactions energy: -575.030 where: short stacking energy: -290.545 Base-Backbone interact. energy: 2.070 local terms energy: -530.850997 where: bonds (distance) C4'-P energy: -130.140 bonds (distance) P-C4' energy: -138.250 flat angles C4'-P-C4' energy: -137.173 flat angles P-C4'-P energy: -92.898 tors. eta vs tors. theta energy: -32.389 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: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -861.325534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.325534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.325534 (E_RNA) where: Base-Base interactions energy: -359.982 where: short stacking energy: -198.707 Base-Backbone interact. energy: -2.192 local terms energy: -499.151473 where: bonds (distance) C4'-P energy: -133.564 bonds (distance) P-C4' energy: -155.713 flat angles C4'-P-C4' energy: -147.971 flat angles P-C4'-P energy: -85.529 tors. eta vs tors. theta energy: 23.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2829.222228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.222228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.222228 (E_RNA) where: Base-Base interactions energy: -1882.457 where: short stacking energy: -831.972 Base-Backbone interact. energy: -2.382 local terms energy: -944.383514 where: bonds (distance) C4'-P energy: -196.027 bonds (distance) P-C4' energy: -168.818 flat angles C4'-P-C4' energy: -212.789 flat angles P-C4'-P energy: -123.411 tors. eta vs tors. theta energy: -243.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2615.772599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.772599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.772599 (E_RNA) where: Base-Base interactions energy: -1721.764 where: short stacking energy: -736.941 Base-Backbone interact. energy: -0.109 local terms energy: -893.899475 where: bonds (distance) C4'-P energy: -182.644 bonds (distance) P-C4' energy: -190.498 flat angles C4'-P-C4' energy: -191.499 flat angles P-C4'-P energy: -130.496 tors. eta vs tors. theta energy: -198.763 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: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2595.983580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.983580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.983580 (E_RNA) where: Base-Base interactions energy: -1756.213 where: short stacking energy: -761.697 Base-Backbone interact. energy: 0.750 local terms energy: -840.520673 where: bonds (distance) C4'-P energy: -150.052 bonds (distance) P-C4' energy: -185.234 flat angles C4'-P-C4' energy: -181.607 flat angles P-C4'-P energy: -116.940 tors. eta vs tors. theta energy: -206.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2461.668362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.668362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.668362 (E_RNA) where: Base-Base interactions energy: -1615.555 where: short stacking energy: -750.643 Base-Backbone interact. energy: -2.087 local terms energy: -844.026400 where: bonds (distance) C4'-P energy: -158.481 bonds (distance) P-C4' energy: -178.365 flat angles C4'-P-C4' energy: -189.406 flat angles P-C4'-P energy: -105.690 tors. eta vs tors. theta energy: -212.084 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: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2250.674057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.674057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.674057 (E_RNA) where: Base-Base interactions energy: -1441.180 where: short stacking energy: -624.028 Base-Backbone interact. energy: -1.594 local terms energy: -807.899990 where: bonds (distance) C4'-P energy: -165.770 bonds (distance) P-C4' energy: -169.257 flat angles C4'-P-C4' energy: -186.080 flat angles P-C4'-P energy: -113.889 tors. eta vs tors. theta energy: -172.904 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: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1817.610940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.610940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.610940 (E_RNA) where: Base-Base interactions energy: -1128.404 where: short stacking energy: -513.887 Base-Backbone interact. energy: 3.752 local terms energy: -692.958963 where: bonds (distance) C4'-P energy: -145.800 bonds (distance) P-C4' energy: -158.003 flat angles C4'-P-C4' energy: -169.113 flat angles P-C4'-P energy: -86.710 tors. eta vs tors. theta energy: -133.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1644.021451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.021451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.021451 (E_RNA) where: Base-Base interactions energy: -1007.547 where: short stacking energy: -467.898 Base-Backbone interact. energy: -0.085 local terms energy: -636.389617 where: bonds (distance) C4'-P energy: -160.214 bonds (distance) P-C4' energy: -156.147 flat angles C4'-P-C4' energy: -142.261 flat angles P-C4'-P energy: -97.012 tors. eta vs tors. theta energy: -80.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1287.922216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.922216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.922216 (E_RNA) where: Base-Base interactions energy: -721.526 where: short stacking energy: -400.690 Base-Backbone interact. energy: 3.029 local terms energy: -569.426018 where: bonds (distance) C4'-P energy: -110.958 bonds (distance) P-C4' energy: -146.181 flat angles C4'-P-C4' energy: -141.727 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -65.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1065.170905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.170905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.170905 (E_RNA) where: Base-Base interactions energy: -581.694 where: short stacking energy: -295.870 Base-Backbone interact. energy: 1.113 local terms energy: -484.589877 where: bonds (distance) C4'-P energy: -139.132 bonds (distance) P-C4' energy: -144.536 flat angles C4'-P-C4' energy: -114.799 flat angles P-C4'-P energy: -72.927 tors. eta vs tors. theta energy: -13.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -853.002194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.002194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.002194 (E_RNA) where: Base-Base interactions energy: -397.820 where: short stacking energy: -226.006 Base-Backbone interact. energy: 7.482 local terms energy: -462.664613 where: bonds (distance) C4'-P energy: -142.084 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -101.000 flat angles P-C4'-P energy: -89.367 tors. eta vs tors. theta energy: 16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2821.055647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.055647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.055647 (E_RNA) where: Base-Base interactions energy: -1879.336 where: short stacking energy: -821.212 Base-Backbone interact. energy: -3.012 local terms energy: -938.707558 where: bonds (distance) C4'-P energy: -189.575 bonds (distance) P-C4' energy: -181.618 flat angles C4'-P-C4' energy: -201.041 flat angles P-C4'-P energy: -131.523 tors. eta vs tors. theta energy: -234.952 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: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2653.094773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.094773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.094773 (E_RNA) where: Base-Base interactions energy: -1729.319 where: short stacking energy: -774.363 Base-Backbone interact. energy: -1.925 local terms energy: -921.850972 where: bonds (distance) C4'-P energy: -177.812 bonds (distance) P-C4' energy: -183.150 flat angles C4'-P-C4' energy: -207.624 flat angles P-C4'-P energy: -134.871 tors. eta vs tors. theta energy: -218.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2587.900357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.900357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.900357 (E_RNA) where: Base-Base interactions energy: -1712.238 where: short stacking energy: -747.225 Base-Backbone interact. energy: -1.678 local terms energy: -873.984617 where: bonds (distance) C4'-P energy: -172.192 bonds (distance) P-C4' energy: -188.898 flat angles C4'-P-C4' energy: -190.130 flat angles P-C4'-P energy: -124.098 tors. eta vs tors. theta energy: -198.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2492.407352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.407352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.407352 (E_RNA) where: Base-Base interactions energy: -1659.042 where: short stacking energy: -749.072 Base-Backbone interact. energy: 1.662 local terms energy: -835.026958 where: bonds (distance) C4'-P energy: -148.414 bonds (distance) P-C4' energy: -177.516 flat angles C4'-P-C4' energy: -182.351 flat angles P-C4'-P energy: -113.862 tors. eta vs tors. theta energy: -212.884 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: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2246.467344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.467344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.467344 (E_RNA) where: Base-Base interactions energy: -1459.323 where: short stacking energy: -653.356 Base-Backbone interact. energy: -2.330 local terms energy: -784.813869 where: bonds (distance) C4'-P energy: -173.045 bonds (distance) P-C4' energy: -155.294 flat angles C4'-P-C4' energy: -185.493 flat angles P-C4'-P energy: -105.110 tors. eta vs tors. theta energy: -165.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1897.307571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.307571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.307571 (E_RNA) where: Base-Base interactions energy: -1155.160 where: short stacking energy: -539.996 Base-Backbone interact. energy: -0.925 local terms energy: -741.222820 where: bonds (distance) C4'-P energy: -173.073 bonds (distance) P-C4' energy: -180.086 flat angles C4'-P-C4' energy: -144.591 flat angles P-C4'-P energy: -116.539 tors. eta vs tors. theta energy: -126.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1577.891895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.891895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.891895 (E_RNA) where: Base-Base interactions energy: -935.872 where: short stacking energy: -435.118 Base-Backbone interact. energy: -0.023 local terms energy: -641.997115 where: bonds (distance) C4'-P energy: -163.677 bonds (distance) P-C4' energy: -160.243 flat angles C4'-P-C4' energy: -156.392 flat angles P-C4'-P energy: -94.717 tors. eta vs tors. theta energy: -66.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1349.413813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.413813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.413813 (E_RNA) where: Base-Base interactions energy: -747.319 where: short stacking energy: -390.461 Base-Backbone interact. energy: -0.203 local terms energy: -601.892308 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -173.032 flat angles C4'-P-C4' energy: -138.129 flat angles P-C4'-P energy: -88.560 tors. eta vs tors. theta energy: -59.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -945.537053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.537053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.537053 (E_RNA) where: Base-Base interactions energy: -482.278 where: short stacking energy: -254.560 Base-Backbone interact. energy: 0.041 local terms energy: -463.299564 where: bonds (distance) C4'-P energy: -127.596 bonds (distance) P-C4' energy: -130.134 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -63.694 tors. eta vs tors. theta energy: 4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -843.921743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.921743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.921743 (E_RNA) where: Base-Base interactions energy: -380.435 where: short stacking energy: -221.956 Base-Backbone interact. energy: 1.378 local terms energy: -464.864354 where: bonds (distance) C4'-P energy: -134.756 bonds (distance) P-C4' energy: -155.270 flat angles C4'-P-C4' energy: -146.715 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: 29.513 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: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2802.428816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.428816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.428816 (E_RNA) where: Base-Base interactions energy: -1877.957 where: short stacking energy: -838.249 Base-Backbone interact. energy: -2.480 local terms energy: -921.992091 where: bonds (distance) C4'-P energy: -163.060 bonds (distance) P-C4' energy: -184.389 flat angles C4'-P-C4' energy: -199.519 flat angles P-C4'-P energy: -137.732 tors. eta vs tors. theta energy: -237.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2652.340945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.340945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.340945 (E_RNA) where: Base-Base interactions energy: -1738.527 where: short stacking energy: -772.572 Base-Backbone interact. energy: -4.286 local terms energy: -909.528119 where: bonds (distance) C4'-P energy: -172.490 bonds (distance) P-C4' energy: -187.621 flat angles C4'-P-C4' energy: -203.620 flat angles P-C4'-P energy: -119.528 tors. eta vs tors. theta energy: -226.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2557.446540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.446540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.446540 (E_RNA) where: Base-Base interactions energy: -1708.632 where: short stacking energy: -760.958 Base-Backbone interact. energy: -0.919 local terms energy: -847.895481 where: bonds (distance) C4'-P energy: -162.929 bonds (distance) P-C4' energy: -185.073 flat angles C4'-P-C4' energy: -176.568 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -207.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2424.023105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.023105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.023105 (E_RNA) where: Base-Base interactions energy: -1551.422 where: short stacking energy: -721.276 Base-Backbone interact. energy: -2.055 local terms energy: -870.546327 where: bonds (distance) C4'-P energy: -172.564 bonds (distance) P-C4' energy: -172.407 flat angles C4'-P-C4' energy: -189.668 flat angles P-C4'-P energy: -126.141 tors. eta vs tors. theta energy: -209.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2291.420796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.420796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.420796 (E_RNA) where: Base-Base interactions energy: -1502.146 where: short stacking energy: -692.698 Base-Backbone interact. energy: 2.506 local terms energy: -791.780780 where: bonds (distance) C4'-P energy: -157.474 bonds (distance) P-C4' energy: -152.979 flat angles C4'-P-C4' energy: -171.127 flat angles P-C4'-P energy: -127.205 tors. eta vs tors. theta energy: -182.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1820.614918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.614918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.614918 (E_RNA) where: Base-Base interactions energy: -1135.241 where: short stacking energy: -525.250 Base-Backbone interact. energy: 6.074 local terms energy: -691.448243 where: bonds (distance) C4'-P energy: -147.194 bonds (distance) P-C4' energy: -170.635 flat angles C4'-P-C4' energy: -166.297 flat angles P-C4'-P energy: -101.856 tors. eta vs tors. theta energy: -105.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1590.348330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.348330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.348330 (E_RNA) where: Base-Base interactions energy: -952.808 where: short stacking energy: -454.509 Base-Backbone interact. energy: 5.531 local terms energy: -643.070940 where: bonds (distance) C4'-P energy: -152.886 bonds (distance) P-C4' energy: -172.707 flat angles C4'-P-C4' energy: -147.759 flat angles P-C4'-P energy: -95.228 tors. eta vs tors. theta energy: -74.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1353.347530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.347530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.347530 (E_RNA) where: Base-Base interactions energy: -783.104 where: short stacking energy: -388.206 Base-Backbone interact. energy: -0.748 local terms energy: -569.495094 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -153.560 flat angles C4'-P-C4' energy: -176.566 flat angles P-C4'-P energy: -66.463 tors. eta vs tors. theta energy: -29.119 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: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1017.102885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.102885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.102885 (E_RNA) where: Base-Base interactions energy: -508.698 where: short stacking energy: -289.425 Base-Backbone interact. energy: 6.201 local terms energy: -514.605904 where: bonds (distance) C4'-P energy: -154.951 bonds (distance) P-C4' energy: -160.041 flat angles C4'-P-C4' energy: -124.814 flat angles P-C4'-P energy: -78.628 tors. eta vs tors. theta energy: 3.828 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: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -777.716514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.716514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.716514 (E_RNA) where: Base-Base interactions energy: -336.615 where: short stacking energy: -241.335 Base-Backbone interact. energy: 8.709 local terms energy: -449.810372 where: bonds (distance) C4'-P energy: -146.930 bonds (distance) P-C4' energy: -127.234 flat angles C4'-P-C4' energy: -121.452 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: 36.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2804.984369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.984369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.984369 (E_RNA) where: Base-Base interactions energy: -1871.418 where: short stacking energy: -814.810 Base-Backbone interact. energy: 3.331 local terms energy: -936.897123 where: bonds (distance) C4'-P energy: -183.047 bonds (distance) P-C4' energy: -177.192 flat angles C4'-P-C4' energy: -204.618 flat angles P-C4'-P energy: -133.873 tors. eta vs tors. theta energy: -238.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2705.884168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.884168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.884168 (E_RNA) where: Base-Base interactions energy: -1794.273 where: short stacking energy: -787.678 Base-Backbone interact. energy: -2.564 local terms energy: -909.047311 where: bonds (distance) C4'-P energy: -173.686 bonds (distance) P-C4' energy: -193.563 flat angles C4'-P-C4' energy: -200.419 flat angles P-C4'-P energy: -124.419 tors. eta vs tors. theta energy: -216.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2599.028205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.028205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.028205 (E_RNA) where: Base-Base interactions energy: -1713.318 where: short stacking energy: -770.066 Base-Backbone interact. energy: -4.324 local terms energy: -881.385726 where: bonds (distance) C4'-P energy: -164.483 bonds (distance) P-C4' energy: -170.798 flat angles C4'-P-C4' energy: -182.851 flat angles P-C4'-P energy: -138.221 tors. eta vs tors. theta energy: -225.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2423.449534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.449534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.449534 (E_RNA) where: Base-Base interactions energy: -1592.361 where: short stacking energy: -720.211 Base-Backbone interact. energy: -4.559 local terms energy: -826.528911 where: bonds (distance) C4'-P energy: -157.194 bonds (distance) P-C4' energy: -157.868 flat angles C4'-P-C4' energy: -188.290 flat angles P-C4'-P energy: -122.827 tors. eta vs tors. theta energy: -200.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2273.096317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.096317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.096317 (E_RNA) where: Base-Base interactions energy: -1461.037 where: short stacking energy: -629.780 Base-Backbone interact. energy: -1.888 local terms energy: -810.170417 where: bonds (distance) C4'-P energy: -157.864 bonds (distance) P-C4' energy: -168.388 flat angles C4'-P-C4' energy: -180.060 flat angles P-C4'-P energy: -120.076 tors. eta vs tors. theta energy: -183.783 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: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1804.264274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.264274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.264274 (E_RNA) where: Base-Base interactions energy: -1124.710 where: short stacking energy: -525.961 Base-Backbone interact. energy: -3.210 local terms energy: -676.343875 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -160.562 flat angles C4'-P-C4' energy: -151.591 flat angles P-C4'-P energy: -91.869 tors. eta vs tors. theta energy: -125.600 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: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1593.708401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.708401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.708401 (E_RNA) where: Base-Base interactions energy: -961.198 where: short stacking energy: -442.144 Base-Backbone interact. energy: 2.680 local terms energy: -635.190544 where: bonds (distance) C4'-P energy: -159.427 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -171.439 flat angles P-C4'-P energy: -92.283 tors. eta vs tors. theta energy: -60.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1353.984272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.984272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.984272 (E_RNA) where: Base-Base interactions energy: -777.341 where: short stacking energy: -384.849 Base-Backbone interact. energy: -2.111 local terms energy: -574.532927 where: bonds (distance) C4'-P energy: -135.239 bonds (distance) P-C4' energy: -143.034 flat angles C4'-P-C4' energy: -164.100 flat angles P-C4'-P energy: -95.376 tors. eta vs tors. theta energy: -36.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -981.534305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.534305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.534305 (E_RNA) where: Base-Base interactions energy: -457.892 where: short stacking energy: -283.523 Base-Backbone interact. energy: -0.898 local terms energy: -522.744548 where: bonds (distance) C4'-P energy: -141.018 bonds (distance) P-C4' energy: -160.393 flat angles C4'-P-C4' energy: -143.138 flat angles P-C4'-P energy: -73.448 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -773.031496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.031496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.031496 (E_RNA) where: Base-Base interactions energy: -308.012 where: short stacking energy: -210.076 Base-Backbone interact. energy: -2.646 local terms energy: -462.373775 where: bonds (distance) C4'-P energy: -144.230 bonds (distance) P-C4' energy: -152.925 flat angles C4'-P-C4' energy: -121.144 flat angles P-C4'-P energy: -87.214 tors. eta vs tors. theta energy: 43.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2824.244627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.244627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.244627 (E_RNA) where: Base-Base interactions energy: -1872.541 where: short stacking energy: -846.507 Base-Backbone interact. energy: 1.052 local terms energy: -952.756299 where: bonds (distance) C4'-P energy: -182.663 bonds (distance) P-C4' energy: -183.704 flat angles C4'-P-C4' energy: -210.936 flat angles P-C4'-P energy: -136.712 tors. eta vs tors. theta energy: -238.741 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: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2635.448498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.448498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.448498 (E_RNA) where: Base-Base interactions energy: -1722.948 where: short stacking energy: -751.258 Base-Backbone interact. energy: -2.190 local terms energy: -910.310121 where: bonds (distance) C4'-P energy: -181.224 bonds (distance) P-C4' energy: -179.733 flat angles C4'-P-C4' energy: -200.570 flat angles P-C4'-P energy: -123.620 tors. eta vs tors. theta energy: -225.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2563.256436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.256436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.256436 (E_RNA) where: Base-Base interactions energy: -1687.643 where: short stacking energy: -712.313 Base-Backbone interact. energy: -5.682 local terms energy: -869.931996 where: bonds (distance) C4'-P energy: -158.102 bonds (distance) P-C4' energy: -192.101 flat angles C4'-P-C4' energy: -191.091 flat angles P-C4'-P energy: -123.943 tors. eta vs tors. theta energy: -204.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2458.683628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.683628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.683628 (E_RNA) where: Base-Base interactions energy: -1584.296 where: short stacking energy: -735.951 Base-Backbone interact. energy: -4.359 local terms energy: -870.028725 where: bonds (distance) C4'-P energy: -185.010 bonds (distance) P-C4' energy: -172.358 flat angles C4'-P-C4' energy: -188.923 flat angles P-C4'-P energy: -117.861 tors. eta vs tors. theta energy: -205.876 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: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2275.760900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.760900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.760900 (E_RNA) where: Base-Base interactions energy: -1501.870 where: short stacking energy: -666.820 Base-Backbone interact. energy: -0.390 local terms energy: -773.500202 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -159.461 flat angles C4'-P-C4' energy: -184.755 flat angles P-C4'-P energy: -99.497 tors. eta vs tors. theta energy: -186.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1823.458609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.458609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.458609 (E_RNA) where: Base-Base interactions energy: -1128.841 where: short stacking energy: -509.334 Base-Backbone interact. energy: -1.912 local terms energy: -692.705049 where: bonds (distance) C4'-P energy: -162.203 bonds (distance) P-C4' energy: -171.653 flat angles C4'-P-C4' energy: -158.174 flat angles P-C4'-P energy: -91.533 tors. eta vs tors. theta energy: -109.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1580.431372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.431372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.431372 (E_RNA) where: Base-Base interactions energy: -934.086 where: short stacking energy: -444.060 Base-Backbone interact. energy: -0.525 local terms energy: -645.820189 where: bonds (distance) C4'-P energy: -138.507 bonds (distance) P-C4' energy: -172.196 flat angles C4'-P-C4' energy: -143.441 flat angles P-C4'-P energy: -113.095 tors. eta vs tors. theta energy: -78.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1305.322002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.322002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.322002 (E_RNA) where: Base-Base interactions energy: -762.199 where: short stacking energy: -366.461 Base-Backbone interact. energy: -1.064 local terms energy: -542.059212 where: bonds (distance) C4'-P energy: -134.664 bonds (distance) P-C4' energy: -151.093 flat angles C4'-P-C4' energy: -131.053 flat angles P-C4'-P energy: -93.672 tors. eta vs tors. theta energy: -31.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1010.003899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.003899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.003899 (E_RNA) where: Base-Base interactions energy: -506.001 where: short stacking energy: -277.602 Base-Backbone interact. energy: 0.909 local terms energy: -504.912774 where: bonds (distance) C4'-P energy: -126.330 bonds (distance) P-C4' energy: -162.160 flat angles C4'-P-C4' energy: -150.917 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: 8.983 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: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -750.247102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.247102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.247102 (E_RNA) where: Base-Base interactions energy: -291.230 where: short stacking energy: -188.852 Base-Backbone interact. energy: 10.842 local terms energy: -469.859563 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -147.538 flat angles C4'-P-C4' energy: -109.576 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: 17.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2841.347143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.347143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.347143 (E_RNA) where: Base-Base interactions energy: -1899.681 where: short stacking energy: -855.177 Base-Backbone interact. energy: -3.289 local terms energy: -938.377338 where: bonds (distance) C4'-P energy: -182.761 bonds (distance) P-C4' energy: -177.588 flat angles C4'-P-C4' energy: -202.523 flat angles P-C4'-P energy: -135.403 tors. eta vs tors. theta energy: -240.102 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: 106 Temperature: 0.950000 Total energy: -2678.775358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.775358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.775358 (E_RNA) where: Base-Base interactions energy: -1768.052 where: short stacking energy: -790.535 Base-Backbone interact. energy: -6.576 local terms energy: -904.147523 where: bonds (distance) C4'-P energy: -167.762 bonds (distance) P-C4' energy: -174.809 flat angles C4'-P-C4' energy: -199.498 flat angles P-C4'-P energy: -134.770 tors. eta vs tors. theta energy: -227.308 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: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2651.972597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.972597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.972597 (E_RNA) where: Base-Base interactions energy: -1762.150 where: short stacking energy: -833.185 Base-Backbone interact. energy: -0.997 local terms energy: -888.825422 where: bonds (distance) C4'-P energy: -164.187 bonds (distance) P-C4' energy: -165.884 flat angles C4'-P-C4' energy: -199.389 flat angles P-C4'-P energy: -122.256 tors. eta vs tors. theta energy: -237.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2442.531548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.531548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.531548 (E_RNA) where: Base-Base interactions energy: -1650.289 where: short stacking energy: -700.245 Base-Backbone interact. energy: -1.263 local terms energy: -790.979079 where: bonds (distance) C4'-P energy: -159.141 bonds (distance) P-C4' energy: -163.266 flat angles C4'-P-C4' energy: -165.544 flat angles P-C4'-P energy: -108.187 tors. eta vs tors. theta energy: -194.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2261.153879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.153879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.153879 (E_RNA) where: Base-Base interactions energy: -1491.908 where: short stacking energy: -673.705 Base-Backbone interact. energy: -3.880 local terms energy: -765.366214 where: bonds (distance) C4'-P energy: -153.996 bonds (distance) P-C4' energy: -168.266 flat angles C4'-P-C4' energy: -178.346 flat angles P-C4'-P energy: -101.266 tors. eta vs tors. theta energy: -163.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1852.131247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.131247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.131247 (E_RNA) where: Base-Base interactions energy: -1152.141 where: short stacking energy: -553.142 Base-Backbone interact. energy: -1.009 local terms energy: -698.981232 where: bonds (distance) C4'-P energy: -167.413 bonds (distance) P-C4' energy: -148.075 flat angles C4'-P-C4' energy: -174.932 flat angles P-C4'-P energy: -89.858 tors. eta vs tors. theta energy: -118.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1619.558435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.558435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.558435 (E_RNA) where: Base-Base interactions energy: -940.057 where: short stacking energy: -458.437 Base-Backbone interact. energy: 3.150 local terms energy: -682.651898 where: bonds (distance) C4'-P energy: -141.610 bonds (distance) P-C4' energy: -170.375 flat angles C4'-P-C4' energy: -155.634 flat angles P-C4'-P energy: -102.435 tors. eta vs tors. theta energy: -112.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1302.783500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.783500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.783500 (E_RNA) where: Base-Base interactions energy: -748.191 where: short stacking energy: -350.458 Base-Backbone interact. energy: 6.511 local terms energy: -561.103502 where: bonds (distance) C4'-P energy: -143.690 bonds (distance) P-C4' energy: -152.704 flat angles C4'-P-C4' energy: -149.983 flat angles P-C4'-P energy: -88.265 tors. eta vs tors. theta energy: -26.461 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: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1059.881422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.881422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.881422 (E_RNA) where: Base-Base interactions energy: -534.882 where: short stacking energy: -295.632 Base-Backbone interact. energy: 6.345 local terms energy: -531.344099 where: bonds (distance) C4'-P energy: -135.244 bonds (distance) P-C4' energy: -163.429 flat angles C4'-P-C4' energy: -135.429 flat angles P-C4'-P energy: -91.711 tors. eta vs tors. theta energy: -5.531 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: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -786.201789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.201789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.201789 (E_RNA) where: Base-Base interactions energy: -309.952 where: short stacking energy: -202.016 Base-Backbone interact. energy: 0.798 local terms energy: -477.047802 where: bonds (distance) C4'-P energy: -139.358 bonds (distance) P-C4' energy: -154.860 flat angles C4'-P-C4' energy: -117.672 flat angles P-C4'-P energy: -86.562 tors. eta vs tors. theta energy: 21.405 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: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2845.475725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.475725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.475725 (E_RNA) where: Base-Base interactions energy: -1892.814 where: short stacking energy: -836.940 Base-Backbone interact. energy: -3.765 local terms energy: -948.896844 where: bonds (distance) C4'-P energy: -183.851 bonds (distance) P-C4' energy: -183.205 flat angles C4'-P-C4' energy: -209.887 flat angles P-C4'-P energy: -135.985 tors. eta vs tors. theta energy: -235.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2726.793107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.793107 (E_RNA) where: Base-Base interactions energy: -1789.573 where: short stacking energy: -893.352 Base-Backbone interact. energy: -2.048 local terms energy: -935.172012 where: bonds (distance) C4'-P energy: -174.657 bonds (distance) P-C4' energy: -178.653 flat angles C4'-P-C4' energy: -206.924 flat angles P-C4'-P energy: -122.033 tors. eta vs tors. theta energy: -252.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2612.649925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.649925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.649925 (E_RNA) where: Base-Base interactions energy: -1712.004 where: short stacking energy: -755.136 Base-Backbone interact. energy: -2.945 local terms energy: -897.700038 where: bonds (distance) C4'-P energy: -170.923 bonds (distance) P-C4' energy: -170.762 flat angles C4'-P-C4' energy: -201.680 flat angles P-C4'-P energy: -140.035 tors. eta vs tors. theta energy: -214.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2454.699769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.699769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.699769 (E_RNA) where: Base-Base interactions energy: -1637.839 where: short stacking energy: -690.095 Base-Backbone interact. energy: 1.982 local terms energy: -818.842736 where: bonds (distance) C4'-P energy: -158.424 bonds (distance) P-C4' energy: -180.710 flat angles C4'-P-C4' energy: -170.047 flat angles P-C4'-P energy: -124.398 tors. eta vs tors. theta energy: -185.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2281.851309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.851309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.851309 (E_RNA) where: Base-Base interactions energy: -1481.562 where: short stacking energy: -667.638 Base-Backbone interact. energy: -0.740 local terms energy: -799.549344 where: bonds (distance) C4'-P energy: -164.352 bonds (distance) P-C4' energy: -175.986 flat angles C4'-P-C4' energy: -184.300 flat angles P-C4'-P energy: -94.283 tors. eta vs tors. theta energy: -180.629 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: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1870.901563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.901563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.901563 (E_RNA) where: Base-Base interactions energy: -1168.420 where: short stacking energy: -535.527 Base-Backbone interact. energy: -0.745 local terms energy: -701.736741 where: bonds (distance) C4'-P energy: -151.699 bonds (distance) P-C4' energy: -151.354 flat angles C4'-P-C4' energy: -166.349 flat angles P-C4'-P energy: -95.344 tors. eta vs tors. theta energy: -136.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1636.633076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.633076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.633076 (E_RNA) where: Base-Base interactions energy: -973.033 where: short stacking energy: -472.730 Base-Backbone interact. energy: -0.626 local terms energy: -662.973417 where: bonds (distance) C4'-P energy: -143.389 bonds (distance) P-C4' energy: -179.947 flat angles C4'-P-C4' energy: -169.132 flat angles P-C4'-P energy: -89.118 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1307.020937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.020937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.020937 (E_RNA) where: Base-Base interactions energy: -739.578 where: short stacking energy: -378.237 Base-Backbone interact. energy: 1.097 local terms energy: -568.540840 where: bonds (distance) C4'-P energy: -147.877 bonds (distance) P-C4' energy: -158.955 flat angles C4'-P-C4' energy: -130.594 flat angles P-C4'-P energy: -80.589 tors. eta vs tors. theta energy: -50.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1019.802797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.802797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.802797 (E_RNA) where: Base-Base interactions energy: -523.545 where: short stacking energy: -274.928 Base-Backbone interact. energy: -4.199 local terms energy: -492.059742 where: bonds (distance) C4'-P energy: -142.194 bonds (distance) P-C4' energy: -151.491 flat angles C4'-P-C4' energy: -127.807 flat angles P-C4'-P energy: -68.008 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: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -782.767053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.767053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.767053 (E_RNA) where: Base-Base interactions energy: -335.509 where: short stacking energy: -222.330 Base-Backbone interact. energy: 0.770 local terms energy: -448.028323 where: bonds (distance) C4'-P energy: -149.584 bonds (distance) P-C4' energy: -130.560 flat angles C4'-P-C4' energy: -102.966 flat angles P-C4'-P energy: -80.627 tors. eta vs tors. theta energy: 15.708 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: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2791.873160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.873160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.873160 (E_RNA) where: Base-Base interactions energy: -1878.910 where: short stacking energy: -795.643 Base-Backbone interact. energy: -9.330 local terms energy: -903.633370 where: bonds (distance) C4'-P energy: -167.438 bonds (distance) P-C4' energy: -175.893 flat angles C4'-P-C4' energy: -205.985 flat angles P-C4'-P energy: -122.454 tors. eta vs tors. theta energy: -231.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2756.995109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.995109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.995109 (E_RNA) where: Base-Base interactions energy: -1829.856 where: short stacking energy: -830.857 Base-Backbone interact. energy: -3.877 local terms energy: -923.261912 where: bonds (distance) C4'-P energy: -177.568 bonds (distance) P-C4' energy: -176.244 flat angles C4'-P-C4' energy: -205.871 flat angles P-C4'-P energy: -131.578 tors. eta vs tors. theta energy: -232.001 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: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2584.780571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.780571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.780571 (E_RNA) where: Base-Base interactions energy: -1717.821 where: short stacking energy: -761.040 Base-Backbone interact. energy: -0.002 local terms energy: -866.957407 where: bonds (distance) C4'-P energy: -179.887 bonds (distance) P-C4' energy: -169.853 flat angles C4'-P-C4' energy: -195.590 flat angles P-C4'-P energy: -112.839 tors. eta vs tors. theta energy: -208.789 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: 108 Temperature: 1.050000 Total energy: -2428.855386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.855386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.855386 (E_RNA) where: Base-Base interactions energy: -1606.662 where: short stacking energy: -696.211 Base-Backbone interact. energy: -4.762 local terms energy: -817.431422 where: bonds (distance) C4'-P energy: -155.285 bonds (distance) P-C4' energy: -175.704 flat angles C4'-P-C4' energy: -173.051 flat angles P-C4'-P energy: -130.095 tors. eta vs tors. theta energy: -183.295 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: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2253.920136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.920136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.920136 (E_RNA) where: Base-Base interactions energy: -1462.903 where: short stacking energy: -645.483 Base-Backbone interact. energy: -1.491 local terms energy: -789.525807 where: bonds (distance) C4'-P energy: -155.072 bonds (distance) P-C4' energy: -152.940 flat angles C4'-P-C4' energy: -190.705 flat angles P-C4'-P energy: -119.395 tors. eta vs tors. theta energy: -171.414 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: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1874.609051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.609051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.609051 (E_RNA) where: Base-Base interactions energy: -1195.122 where: short stacking energy: -556.296 Base-Backbone interact. energy: 0.189 local terms energy: -679.676747 where: bonds (distance) C4'-P energy: -140.846 bonds (distance) P-C4' energy: -160.291 flat angles C4'-P-C4' energy: -152.727 flat angles P-C4'-P energy: -103.703 tors. eta vs tors. theta energy: -122.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1703.765268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.765268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.765268 (E_RNA) where: Base-Base interactions energy: -1056.986 where: short stacking energy: -504.519 Base-Backbone interact. energy: -0.920 local terms energy: -645.859569 where: bonds (distance) C4'-P energy: -152.680 bonds (distance) P-C4' energy: -157.801 flat angles C4'-P-C4' energy: -176.789 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -88.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1333.047595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.047595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.047595 (E_RNA) where: Base-Base interactions energy: -773.861 where: short stacking energy: -390.859 Base-Backbone interact. energy: -1.952 local terms energy: -557.234586 where: bonds (distance) C4'-P energy: -111.887 bonds (distance) P-C4' energy: -147.617 flat angles C4'-P-C4' energy: -150.000 flat angles P-C4'-P energy: -90.741 tors. eta vs tors. theta energy: -56.990 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: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1003.216250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.216250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.216250 (E_RNA) where: Base-Base interactions energy: -479.359 where: short stacking energy: -272.534 Base-Backbone interact. energy: -3.529 local terms energy: -520.328172 where: bonds (distance) C4'-P energy: -131.464 bonds (distance) P-C4' energy: -148.885 flat angles C4'-P-C4' energy: -138.015 flat angles P-C4'-P energy: -83.944 tors. eta vs tors. theta energy: -18.020 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: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -755.336264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.336264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.336264 (E_RNA) where: Base-Base interactions energy: -322.375 where: short stacking energy: -207.003 Base-Backbone interact. energy: -4.545 local terms energy: -428.416438 where: bonds (distance) C4'-P energy: -119.100 bonds (distance) P-C4' energy: -171.050 flat angles C4'-P-C4' energy: -110.113 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: 38.618 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: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2849.447058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.447058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.447058 (E_RNA) where: Base-Base interactions energy: -1881.955 where: short stacking energy: -847.481 Base-Backbone interact. energy: -10.117 local terms energy: -957.374784 where: bonds (distance) C4'-P energy: -177.473 bonds (distance) P-C4' energy: -178.745 flat angles C4'-P-C4' energy: -208.068 flat angles P-C4'-P energy: -147.035 tors. eta vs tors. theta energy: -246.053 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: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2750.327814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.327814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.327814 (E_RNA) where: Base-Base interactions energy: -1822.941 where: short stacking energy: -834.997 Base-Backbone interact. energy: -4.103 local terms energy: -923.284103 where: bonds (distance) C4'-P energy: -188.133 bonds (distance) P-C4' energy: -172.481 flat angles C4'-P-C4' energy: -199.839 flat angles P-C4'-P energy: -127.594 tors. eta vs tors. theta energy: -235.237 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: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2572.830181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.830181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.830181 (E_RNA) where: Base-Base interactions energy: -1724.795 where: short stacking energy: -790.187 Base-Backbone interact. energy: -2.992 local terms energy: -845.042444 where: bonds (distance) C4'-P energy: -167.877 bonds (distance) P-C4' energy: -162.853 flat angles C4'-P-C4' energy: -178.193 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -219.562 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: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2415.398480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.398480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.398480 (E_RNA) where: Base-Base interactions energy: -1589.046 where: short stacking energy: -639.850 Base-Backbone interact. energy: 1.735 local terms energy: -828.086616 where: bonds (distance) C4'-P energy: -169.824 bonds (distance) P-C4' energy: -186.895 flat angles C4'-P-C4' energy: -179.915 flat angles P-C4'-P energy: -114.695 tors. eta vs tors. theta energy: -176.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2329.445270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.445270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.445270 (E_RNA) where: Base-Base interactions energy: -1529.362 where: short stacking energy: -707.180 Base-Backbone interact. energy: -2.978 local terms energy: -797.105683 where: bonds (distance) C4'-P energy: -147.745 bonds (distance) P-C4' energy: -161.826 flat angles C4'-P-C4' energy: -186.080 flat angles P-C4'-P energy: -97.005 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: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1874.484552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.484552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.484552 (E_RNA) where: Base-Base interactions energy: -1157.848 where: short stacking energy: -563.486 Base-Backbone interact. energy: -0.225 local terms energy: -716.411509 where: bonds (distance) C4'-P energy: -136.719 bonds (distance) P-C4' energy: -161.953 flat angles C4'-P-C4' energy: -165.230 flat angles P-C4'-P energy: -112.600 tors. eta vs tors. theta energy: -139.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1649.816363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.816363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.816363 (E_RNA) where: Base-Base interactions energy: -1015.347 where: short stacking energy: -438.255 Base-Backbone interact. energy: 0.614 local terms energy: -635.083273 where: bonds (distance) C4'-P energy: -147.826 bonds (distance) P-C4' energy: -178.107 flat angles C4'-P-C4' energy: -140.839 flat angles P-C4'-P energy: -90.180 tors. eta vs tors. theta energy: -78.132 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: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1278.401809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.401809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.401809 (E_RNA) where: Base-Base interactions energy: -687.536 where: short stacking energy: -359.690 Base-Backbone interact. energy: 3.088 local terms energy: -593.953944 where: bonds (distance) C4'-P energy: -141.940 bonds (distance) P-C4' energy: -163.946 flat angles C4'-P-C4' energy: -148.931 flat angles P-C4'-P energy: -100.506 tors. eta vs tors. theta energy: -38.632 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: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -957.956450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.956450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.956450 (E_RNA) where: Base-Base interactions energy: -459.879 where: short stacking energy: -251.713 Base-Backbone interact. energy: 2.524 local terms energy: -500.602073 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -168.632 flat angles C4'-P-C4' energy: -135.988 flat angles P-C4'-P energy: -80.840 tors. eta vs tors. theta energy: 7.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -751.377458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.377458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.377458 (E_RNA) where: Base-Base interactions energy: -273.506 where: short stacking energy: -214.672 Base-Backbone interact. energy: 5.093 local terms energy: -482.964918 where: bonds (distance) C4'-P energy: -149.007 bonds (distance) P-C4' energy: -147.968 flat angles C4'-P-C4' energy: -129.138 flat angles P-C4'-P energy: -80.932 tors. eta vs tors. theta energy: 24.080 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: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2883.495430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.495430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.495430 (E_RNA) where: Base-Base interactions energy: -1918.266 where: short stacking energy: -826.575 Base-Backbone interact. energy: -5.124 local terms energy: -960.105085 where: bonds (distance) C4'-P energy: -198.621 bonds (distance) P-C4' energy: -178.333 flat angles C4'-P-C4' energy: -195.649 flat angles P-C4'-P energy: -143.141 tors. eta vs tors. theta energy: -244.361 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: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2770.834359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.834359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.834359 (E_RNA) where: Base-Base interactions energy: -1848.222 where: short stacking energy: -883.567 Base-Backbone interact. energy: -0.298 local terms energy: -922.314486 where: bonds (distance) C4'-P energy: -167.337 bonds (distance) P-C4' energy: -175.475 flat angles C4'-P-C4' energy: -203.808 flat angles P-C4'-P energy: -122.787 tors. eta vs tors. theta energy: -252.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2524.618691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.618691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.618691 (E_RNA) where: Base-Base interactions energy: -1669.182 where: short stacking energy: -717.909 Base-Backbone interact. energy: -0.124 local terms energy: -855.313057 where: bonds (distance) C4'-P energy: -169.703 bonds (distance) P-C4' energy: -173.073 flat angles C4'-P-C4' energy: -194.211 flat angles P-C4'-P energy: -110.632 tors. eta vs tors. theta energy: -207.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2401.517683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.517683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.517683 (E_RNA) where: Base-Base interactions energy: -1590.385 where: short stacking energy: -684.250 Base-Backbone interact. energy: -5.991 local terms energy: -805.142409 where: bonds (distance) C4'-P energy: -148.196 bonds (distance) P-C4' energy: -165.552 flat angles C4'-P-C4' energy: -185.236 flat angles P-C4'-P energy: -123.266 tors. eta vs tors. theta energy: -182.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2420.240753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.240753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.240753 (E_RNA) where: Base-Base interactions energy: -1610.408 where: short stacking energy: -762.184 Base-Backbone interact. energy: -0.054 local terms energy: -809.779355 where: bonds (distance) C4'-P energy: -146.605 bonds (distance) P-C4' energy: -157.755 flat angles C4'-P-C4' energy: -184.298 flat angles P-C4'-P energy: -113.055 tors. eta vs tors. theta energy: -208.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1919.954471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.954471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.954471 (E_RNA) where: Base-Base interactions energy: -1195.123 where: short stacking energy: -585.749 Base-Backbone interact. energy: -0.266 local terms energy: -724.565595 where: bonds (distance) C4'-P energy: -145.955 bonds (distance) P-C4' energy: -156.352 flat angles C4'-P-C4' energy: -169.163 flat angles P-C4'-P energy: -114.227 tors. eta vs tors. theta energy: -138.870 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: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1652.377860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.377860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.377860 (E_RNA) where: Base-Base interactions energy: -1001.244 where: short stacking energy: -469.141 Base-Backbone interact. energy: -0.269 local terms energy: -650.864330 where: bonds (distance) C4'-P energy: -155.292 bonds (distance) P-C4' energy: -176.959 flat angles C4'-P-C4' energy: -155.670 flat angles P-C4'-P energy: -79.452 tors. eta vs tors. theta energy: -83.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1288.322497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.322497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.322497 (E_RNA) where: Base-Base interactions energy: -700.817 where: short stacking energy: -376.508 Base-Backbone interact. energy: -2.132 local terms energy: -585.374141 where: bonds (distance) C4'-P energy: -138.207 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -151.284 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -65.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1050.568675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.568675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.568675 (E_RNA) where: Base-Base interactions energy: -567.310 where: short stacking energy: -327.352 Base-Backbone interact. energy: 1.762 local terms energy: -485.020729 where: bonds (distance) C4'-P energy: -141.340 bonds (distance) P-C4' energy: -149.644 flat angles C4'-P-C4' energy: -132.472 flat angles P-C4'-P energy: -63.663 tors. eta vs tors. theta energy: 2.098 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: 110 Temperature: 1.350000 Total energy: -821.069481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.069481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.069481 (E_RNA) where: Base-Base interactions energy: -339.297 where: short stacking energy: -251.909 Base-Backbone interact. energy: 0.982 local terms energy: -482.754391 where: bonds (distance) C4'-P energy: -152.894 bonds (distance) P-C4' energy: -127.436 flat angles C4'-P-C4' energy: -149.410 flat angles P-C4'-P energy: -76.048 tors. eta vs tors. theta energy: 23.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2883.780819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.780819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.780819 (E_RNA) where: Base-Base interactions energy: -1950.362 where: short stacking energy: -870.813 Base-Backbone interact. energy: -3.591 local terms energy: -929.827753 where: bonds (distance) C4'-P energy: -168.330 bonds (distance) P-C4' energy: -174.967 flat angles C4'-P-C4' energy: -197.650 flat angles P-C4'-P energy: -140.673 tors. eta vs tors. theta energy: -248.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2751.438563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.438563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.438563 (E_RNA) where: Base-Base interactions energy: -1827.177 where: short stacking energy: -842.740 Base-Backbone interact. energy: -4.592 local terms energy: -919.669266 where: bonds (distance) C4'-P energy: -169.025 bonds (distance) P-C4' energy: -180.540 flat angles C4'-P-C4' energy: -193.087 flat angles P-C4'-P energy: -125.676 tors. eta vs tors. theta energy: -251.342 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2571.252457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.252457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.252457 (E_RNA) where: Base-Base interactions energy: -1687.366 where: short stacking energy: -761.581 Base-Backbone interact. energy: 0.513 local terms energy: -884.398879 where: bonds (distance) C4'-P energy: -178.860 bonds (distance) P-C4' energy: -175.745 flat angles C4'-P-C4' energy: -171.946 flat angles P-C4'-P energy: -139.012 tors. eta vs tors. theta energy: -218.836 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: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2458.641632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.641632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.641632 (E_RNA) where: Base-Base interactions energy: -1633.191 where: short stacking energy: -739.058 Base-Backbone interact. energy: -3.695 local terms energy: -821.756321 where: bonds (distance) C4'-P energy: -153.467 bonds (distance) P-C4' energy: -149.696 flat angles C4'-P-C4' energy: -193.077 flat angles P-C4'-P energy: -119.527 tors. eta vs tors. theta energy: -205.990 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: 111 Temperature: 1.100000 Total energy: -2266.835286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.835286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.835286 (E_RNA) where: Base-Base interactions energy: -1499.860 where: short stacking energy: -678.891 Base-Backbone interact. energy: -2.402 local terms energy: -764.573374 where: bonds (distance) C4'-P energy: -136.983 bonds (distance) P-C4' energy: -183.796 flat angles C4'-P-C4' energy: -187.582 flat angles P-C4'-P energy: -92.741 tors. eta vs tors. theta energy: -163.472 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: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1926.319971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.319971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.319971 (E_RNA) where: Base-Base interactions energy: -1186.248 where: short stacking energy: -542.847 Base-Backbone interact. energy: 2.319 local terms energy: -742.390077 where: bonds (distance) C4'-P energy: -172.649 bonds (distance) P-C4' energy: -150.761 flat angles C4'-P-C4' energy: -167.908 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -145.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1659.473572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.473572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.473572 (E_RNA) where: Base-Base interactions energy: -1032.858 where: short stacking energy: -479.089 Base-Backbone interact. energy: 3.260 local terms energy: -629.875385 where: bonds (distance) C4'-P energy: -158.274 bonds (distance) P-C4' energy: -121.388 flat angles C4'-P-C4' energy: -164.044 flat angles P-C4'-P energy: -99.690 tors. eta vs tors. theta energy: -86.479 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: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1280.995396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.995396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.995396 (E_RNA) where: Base-Base interactions energy: -708.446 where: short stacking energy: -349.939 Base-Backbone interact. energy: -3.588 local terms energy: -568.962258 where: bonds (distance) C4'-P energy: -145.973 bonds (distance) P-C4' energy: -168.792 flat angles C4'-P-C4' energy: -152.333 flat angles P-C4'-P energy: -80.430 tors. eta vs tors. theta energy: -21.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -930.898635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.898635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.898635 (E_RNA) where: Base-Base interactions energy: -446.936 where: short stacking energy: -253.069 Base-Backbone interact. energy: 1.972 local terms energy: -485.934680 where: bonds (distance) C4'-P energy: -129.213 bonds (distance) P-C4' energy: -171.616 flat angles C4'-P-C4' energy: -119.037 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: 3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -737.064331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.064331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.064331 (E_RNA) where: Base-Base interactions energy: -286.706 where: short stacking energy: -187.928 Base-Backbone interact. energy: 4.697 local terms energy: -455.056071 where: bonds (distance) C4'-P energy: -132.794 bonds (distance) P-C4' energy: -142.250 flat angles C4'-P-C4' energy: -136.400 flat angles P-C4'-P energy: -60.335 tors. eta vs tors. theta energy: 16.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2826.893469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.893469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.893469 (E_RNA) where: Base-Base interactions energy: -1916.185 where: short stacking energy: -843.809 Base-Backbone interact. energy: -5.799 local terms energy: -904.910153 where: bonds (distance) C4'-P energy: -161.181 bonds (distance) P-C4' energy: -186.294 flat angles C4'-P-C4' energy: -196.674 flat angles P-C4'-P energy: -137.561 tors. eta vs tors. theta energy: -223.201 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: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2803.558357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.558357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.558357 (E_RNA) where: Base-Base interactions energy: -1841.822 where: short stacking energy: -839.813 Base-Backbone interact. energy: 1.873 local terms energy: -963.609234 where: bonds (distance) C4'-P energy: -185.931 bonds (distance) P-C4' energy: -173.142 flat angles C4'-P-C4' energy: -211.241 flat angles P-C4'-P energy: -129.613 tors. eta vs tors. theta energy: -263.682 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: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2520.728840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.728840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.728840 (E_RNA) where: Base-Base interactions energy: -1638.877 where: short stacking energy: -736.544 Base-Backbone interact. energy: -7.101 local terms energy: -874.751165 where: bonds (distance) C4'-P energy: -160.775 bonds (distance) P-C4' energy: -170.987 flat angles C4'-P-C4' energy: -198.153 flat angles P-C4'-P energy: -128.533 tors. eta vs tors. theta energy: -216.303 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: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2535.943912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.943912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.943912 (E_RNA) where: Base-Base interactions energy: -1644.195 where: short stacking energy: -747.883 Base-Backbone interact. energy: -2.139 local terms energy: -889.609170 where: bonds (distance) C4'-P energy: -167.763 bonds (distance) P-C4' energy: -171.637 flat angles C4'-P-C4' energy: -187.405 flat angles P-C4'-P energy: -134.688 tors. eta vs tors. theta energy: -228.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2108.441955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.441955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.441955 (E_RNA) where: Base-Base interactions energy: -1357.390 where: short stacking energy: -586.461 Base-Backbone interact. energy: -4.986 local terms energy: -746.066019 where: bonds (distance) C4'-P energy: -163.094 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -172.527 flat angles P-C4'-P energy: -110.777 tors. eta vs tors. theta energy: -147.566 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: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1951.617073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.617073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.617073 (E_RNA) where: Base-Base interactions energy: -1218.599 where: short stacking energy: -577.498 Base-Backbone interact. energy: 0.816 local terms energy: -733.833962 where: bonds (distance) C4'-P energy: -160.412 bonds (distance) P-C4' energy: -169.099 flat angles C4'-P-C4' energy: -165.789 flat angles P-C4'-P energy: -91.540 tors. eta vs tors. theta energy: -146.993 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: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1570.479176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.479176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.479176 (E_RNA) where: Base-Base interactions energy: -951.410 where: short stacking energy: -458.714 Base-Backbone interact. energy: 1.692 local terms energy: -620.761588 where: bonds (distance) C4'-P energy: -135.002 bonds (distance) P-C4' energy: -146.188 flat angles C4'-P-C4' energy: -164.331 flat angles P-C4'-P energy: -103.572 tors. eta vs tors. theta energy: -71.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1318.299274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.299274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.299274 (E_RNA) where: Base-Base interactions energy: -717.822 where: short stacking energy: -391.115 Base-Backbone interact. energy: 2.885 local terms energy: -603.363014 where: bonds (distance) C4'-P energy: -153.909 bonds (distance) P-C4' energy: -146.390 flat angles C4'-P-C4' energy: -148.049 flat angles P-C4'-P energy: -81.434 tors. eta vs tors. theta energy: -73.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -970.453202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.453202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.453202 (E_RNA) where: Base-Base interactions energy: -469.720 where: short stacking energy: -242.309 Base-Backbone interact. energy: 9.795 local terms energy: -510.528612 where: bonds (distance) C4'-P energy: -141.536 bonds (distance) P-C4' energy: -163.235 flat angles C4'-P-C4' energy: -136.093 flat angles P-C4'-P energy: -90.328 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: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -771.684257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.684257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.684257 (E_RNA) where: Base-Base interactions energy: -299.572 where: short stacking energy: -228.037 Base-Backbone interact. energy: 8.340 local terms energy: -480.452129 where: bonds (distance) C4'-P energy: -141.589 bonds (distance) P-C4' energy: -161.782 flat angles C4'-P-C4' energy: -100.423 flat angles P-C4'-P energy: -91.240 tors. eta vs tors. theta energy: 14.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2881.554030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.554030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.554030 (E_RNA) where: Base-Base interactions energy: -1914.735 where: short stacking energy: -839.677 Base-Backbone interact. energy: 0.349 local terms energy: -967.168576 where: bonds (distance) C4'-P energy: -183.142 bonds (distance) P-C4' energy: -188.396 flat angles C4'-P-C4' energy: -214.836 flat angles P-C4'-P energy: -130.719 tors. eta vs tors. theta energy: -250.075 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: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2804.240042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.240042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.240042 (E_RNA) where: Base-Base interactions energy: -1865.602 where: short stacking energy: -863.714 Base-Backbone interact. energy: -1.466 local terms energy: -937.172004 where: bonds (distance) C4'-P energy: -178.732 bonds (distance) P-C4' energy: -172.733 flat angles C4'-P-C4' energy: -200.866 flat angles P-C4'-P energy: -121.964 tors. eta vs tors. theta energy: -262.877 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: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2532.214206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.214206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.214206 (E_RNA) where: Base-Base interactions energy: -1637.880 where: short stacking energy: -745.533 Base-Backbone interact. energy: -1.422 local terms energy: -892.912267 where: bonds (distance) C4'-P energy: -171.284 bonds (distance) P-C4' energy: -188.766 flat angles C4'-P-C4' energy: -182.637 flat angles P-C4'-P energy: -127.133 tors. eta vs tors. theta energy: -223.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2547.772342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.772342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.772342 (E_RNA) where: Base-Base interactions energy: -1676.207 where: short stacking energy: -759.769 Base-Backbone interact. energy: -0.209 local terms energy: -871.356437 where: bonds (distance) C4'-P energy: -162.898 bonds (distance) P-C4' energy: -165.558 flat angles C4'-P-C4' energy: -190.292 flat angles P-C4'-P energy: -126.031 tors. eta vs tors. theta energy: -226.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2152.615191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.615191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.615191 (E_RNA) where: Base-Base interactions energy: -1410.366 where: short stacking energy: -611.803 Base-Backbone interact. energy: -5.324 local terms energy: -736.924943 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -177.010 flat angles C4'-P-C4' energy: -167.811 flat angles P-C4'-P energy: -111.306 tors. eta vs tors. theta energy: -136.899 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: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1967.656910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.656910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.656910 (E_RNA) where: Base-Base interactions energy: -1229.709 where: short stacking energy: -607.837 Base-Backbone interact. energy: -1.360 local terms energy: -736.587777 where: bonds (distance) C4'-P energy: -139.322 bonds (distance) P-C4' energy: -159.964 flat angles C4'-P-C4' energy: -179.654 flat angles P-C4'-P energy: -107.573 tors. eta vs tors. theta energy: -150.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1567.500319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.500319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.500319 (E_RNA) where: Base-Base interactions energy: -936.714 where: short stacking energy: -408.213 Base-Backbone interact. energy: -1.241 local terms energy: -629.544377 where: bonds (distance) C4'-P energy: -154.462 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -149.334 flat angles P-C4'-P energy: -90.330 tors. eta vs tors. theta energy: -79.008 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: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1436.085564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.085564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.085564 (E_RNA) where: Base-Base interactions energy: -848.871 where: short stacking energy: -369.329 Base-Backbone interact. energy: -1.898 local terms energy: -585.316316 where: bonds (distance) C4'-P energy: -145.646 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -133.022 flat angles P-C4'-P energy: -85.272 tors. eta vs tors. theta energy: -65.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -972.676927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.676927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.676927 (E_RNA) where: Base-Base interactions energy: -484.879 where: short stacking energy: -272.571 Base-Backbone interact. energy: 5.509 local terms energy: -493.306522 where: bonds (distance) C4'-P energy: -145.370 bonds (distance) P-C4' energy: -150.560 flat angles C4'-P-C4' energy: -143.540 flat angles P-C4'-P energy: -77.339 tors. eta vs tors. theta energy: 23.502 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: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -799.521136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.521136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.521136 (E_RNA) where: Base-Base interactions energy: -341.947 where: short stacking energy: -169.921 Base-Backbone interact. energy: 9.368 local terms energy: -466.942063 where: bonds (distance) C4'-P energy: -148.369 bonds (distance) P-C4' energy: -135.450 flat angles C4'-P-C4' energy: -137.996 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: 35.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2905.881090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.881090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.881090 (E_RNA) where: Base-Base interactions energy: -1960.915 where: short stacking energy: -906.193 Base-Backbone interact. energy: 3.396 local terms energy: -948.362588 where: bonds (distance) C4'-P energy: -190.849 bonds (distance) P-C4' energy: -172.791 flat angles C4'-P-C4' energy: -196.078 flat angles P-C4'-P energy: -127.315 tors. eta vs tors. theta energy: -261.331 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: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2739.117277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.117277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.117277 (E_RNA) where: Base-Base interactions energy: -1822.554 where: short stacking energy: -801.509 Base-Backbone interact. energy: -5.217 local terms energy: -911.346473 where: bonds (distance) C4'-P energy: -174.957 bonds (distance) P-C4' energy: -176.132 flat angles C4'-P-C4' energy: -195.132 flat angles P-C4'-P energy: -131.864 tors. eta vs tors. theta energy: -233.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2707.110477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.110477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.110477 (E_RNA) where: Base-Base interactions energy: -1769.757 where: short stacking energy: -817.232 Base-Backbone interact. energy: -1.582 local terms energy: -935.771649 where: bonds (distance) C4'-P energy: -172.649 bonds (distance) P-C4' energy: -194.750 flat angles C4'-P-C4' energy: -206.670 flat angles P-C4'-P energy: -117.282 tors. eta vs tors. theta energy: -244.421 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: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2470.554076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.554076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.554076 (E_RNA) where: Base-Base interactions energy: -1629.949 where: short stacking energy: -702.272 Base-Backbone interact. energy: 2.977 local terms energy: -843.582668 where: bonds (distance) C4'-P energy: -184.614 bonds (distance) P-C4' energy: -151.110 flat angles C4'-P-C4' energy: -175.406 flat angles P-C4'-P energy: -124.762 tors. eta vs tors. theta energy: -207.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2133.786445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.786445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.786445 (E_RNA) where: Base-Base interactions energy: -1352.144 where: short stacking energy: -586.171 Base-Backbone interact. energy: -2.278 local terms energy: -779.364316 where: bonds (distance) C4'-P energy: -150.620 bonds (distance) P-C4' energy: -172.436 flat angles C4'-P-C4' energy: -192.809 flat angles P-C4'-P energy: -106.807 tors. eta vs tors. theta energy: -156.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1887.799567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.799567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.799567 (E_RNA) where: Base-Base interactions energy: -1144.008 where: short stacking energy: -549.172 Base-Backbone interact. energy: -0.929 local terms energy: -742.862057 where: bonds (distance) C4'-P energy: -154.915 bonds (distance) P-C4' energy: -173.541 flat angles C4'-P-C4' energy: -172.799 flat angles P-C4'-P energy: -108.237 tors. eta vs tors. theta energy: -133.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1618.876171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.876171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.876171 (E_RNA) where: Base-Base interactions energy: -972.233 where: short stacking energy: -466.398 Base-Backbone interact. energy: -0.704 local terms energy: -645.939025 where: bonds (distance) C4'-P energy: -149.094 bonds (distance) P-C4' energy: -167.854 flat angles C4'-P-C4' energy: -152.017 flat angles P-C4'-P energy: -93.643 tors. eta vs tors. theta energy: -83.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1434.359979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.359979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.359979 (E_RNA) where: Base-Base interactions energy: -838.187 where: short stacking energy: -378.283 Base-Backbone interact. energy: 0.158 local terms energy: -596.330871 where: bonds (distance) C4'-P energy: -153.795 bonds (distance) P-C4' energy: -144.864 flat angles C4'-P-C4' energy: -142.714 flat angles P-C4'-P energy: -93.934 tors. eta vs tors. theta energy: -61.023 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: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -977.443913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.443913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.443913 (E_RNA) where: Base-Base interactions energy: -471.174 where: short stacking energy: -254.999 Base-Backbone interact. energy: 3.190 local terms energy: -509.460001 where: bonds (distance) C4'-P energy: -157.418 bonds (distance) P-C4' energy: -163.047 flat angles C4'-P-C4' energy: -138.066 flat angles P-C4'-P energy: -60.566 tors. eta vs tors. theta energy: 9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -834.811039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.811039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.811039 (E_RNA) where: Base-Base interactions energy: -346.333 where: short stacking energy: -217.030 Base-Backbone interact. energy: -1.057 local terms energy: -487.420617 where: bonds (distance) C4'-P energy: -145.436 bonds (distance) P-C4' energy: -155.688 flat angles C4'-P-C4' energy: -145.812 flat angles P-C4'-P energy: -64.014 tors. eta vs tors. theta energy: 23.530 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: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2940.525125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.525125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.525125 (E_RNA) where: Base-Base interactions energy: -1951.247 where: short stacking energy: -913.849 Base-Backbone interact. energy: -2.596 local terms energy: -986.681655 where: bonds (distance) C4'-P energy: -183.257 bonds (distance) P-C4' energy: -190.717 flat angles C4'-P-C4' energy: -208.237 flat angles P-C4'-P energy: -135.248 tors. eta vs tors. theta energy: -269.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2755.546754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.546754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.546754 (E_RNA) where: Base-Base interactions energy: -1870.268 where: short stacking energy: -782.797 Base-Backbone interact. energy: -6.147 local terms energy: -879.132236 where: bonds (distance) C4'-P energy: -184.302 bonds (distance) P-C4' energy: -174.623 flat angles C4'-P-C4' energy: -173.091 flat angles P-C4'-P energy: -116.568 tors. eta vs tors. theta energy: -230.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2726.169021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.169021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.169021 (E_RNA) where: Base-Base interactions energy: -1781.695 where: short stacking energy: -859.237 Base-Backbone interact. energy: -0.794 local terms energy: -943.680847 where: bonds (distance) C4'-P energy: -163.464 bonds (distance) P-C4' energy: -171.605 flat angles C4'-P-C4' energy: -192.143 flat angles P-C4'-P energy: -146.000 tors. eta vs tors. theta energy: -270.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2472.437750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.437750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.437750 (E_RNA) where: Base-Base interactions energy: -1635.425 where: short stacking energy: -716.514 Base-Backbone interact. energy: -2.756 local terms energy: -834.256309 where: bonds (distance) C4'-P energy: -152.085 bonds (distance) P-C4' energy: -186.431 flat angles C4'-P-C4' energy: -181.078 flat angles P-C4'-P energy: -103.233 tors. eta vs tors. theta energy: -211.429 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: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2131.566101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.566101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.566101 (E_RNA) where: Base-Base interactions energy: -1360.905 where: short stacking energy: -633.044 Base-Backbone interact. energy: -4.010 local terms energy: -766.650589 where: bonds (distance) C4'-P energy: -170.562 bonds (distance) P-C4' energy: -154.181 flat angles C4'-P-C4' energy: -182.526 flat angles P-C4'-P energy: -116.976 tors. eta vs tors. theta energy: -142.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1819.170969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.170969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.170969 (E_RNA) where: Base-Base interactions energy: -1110.335 where: short stacking energy: -504.320 Base-Backbone interact. energy: -5.352 local terms energy: -703.483344 where: bonds (distance) C4'-P energy: -165.976 bonds (distance) P-C4' energy: -176.079 flat angles C4'-P-C4' energy: -158.047 flat angles P-C4'-P energy: -103.994 tors. eta vs tors. theta energy: -99.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1547.521143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.521143 (E_RNA) where: Base-Base interactions energy: -913.139 where: short stacking energy: -416.798 Base-Backbone interact. energy: 1.166 local terms energy: -635.548119 where: bonds (distance) C4'-P energy: -163.356 bonds (distance) P-C4' energy: -162.217 flat angles C4'-P-C4' energy: -148.007 flat angles P-C4'-P energy: -80.847 tors. eta vs tors. theta energy: -81.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1425.936010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.936010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.936010 (E_RNA) where: Base-Base interactions energy: -829.694 where: short stacking energy: -426.110 Base-Backbone interact. energy: 11.074 local terms energy: -607.315796 where: bonds (distance) C4'-P energy: -155.769 bonds (distance) P-C4' energy: -166.555 flat angles C4'-P-C4' energy: -141.755 flat angles P-C4'-P energy: -96.501 tors. eta vs tors. theta energy: -46.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -943.196376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.196376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.196376 (E_RNA) where: Base-Base interactions energy: -402.425 where: short stacking energy: -254.145 Base-Backbone interact. energy: 3.030 local terms energy: -543.801707 where: bonds (distance) C4'-P energy: -141.083 bonds (distance) P-C4' energy: -169.584 flat angles C4'-P-C4' energy: -135.081 flat angles P-C4'-P energy: -86.431 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: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -808.768046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.768046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.768046 (E_RNA) where: Base-Base interactions energy: -380.913 where: short stacking energy: -230.309 Base-Backbone interact. energy: 2.900 local terms energy: -430.755572 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -162.087 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: 23.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2911.132711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.132711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.132711 (E_RNA) where: Base-Base interactions energy: -1933.991 where: short stacking energy: -903.118 Base-Backbone interact. energy: -1.959 local terms energy: -975.182222 where: bonds (distance) C4'-P energy: -171.287 bonds (distance) P-C4' energy: -184.159 flat angles C4'-P-C4' energy: -217.956 flat angles P-C4'-P energy: -131.737 tors. eta vs tors. theta energy: -270.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2787.235447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.235447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.235447 (E_RNA) where: Base-Base interactions energy: -1867.210 where: short stacking energy: -787.119 Base-Backbone interact. energy: -5.354 local terms energy: -914.671830 where: bonds (distance) C4'-P energy: -163.280 bonds (distance) P-C4' energy: -184.657 flat angles C4'-P-C4' energy: -194.375 flat angles P-C4'-P energy: -129.593 tors. eta vs tors. theta energy: -242.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2722.088375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.088375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.088375 (E_RNA) where: Base-Base interactions energy: -1797.814 where: short stacking energy: -819.288 Base-Backbone interact. energy: -1.976 local terms energy: -922.298009 where: bonds (distance) C4'-P energy: -173.780 bonds (distance) P-C4' energy: -176.257 flat angles C4'-P-C4' energy: -201.854 flat angles P-C4'-P energy: -130.395 tors. eta vs tors. theta energy: -240.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2432.314935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.314935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.314935 (E_RNA) where: Base-Base interactions energy: -1562.017 where: short stacking energy: -665.043 Base-Backbone interact. energy: -4.078 local terms energy: -866.220205 where: bonds (distance) C4'-P energy: -182.887 bonds (distance) P-C4' energy: -162.845 flat angles C4'-P-C4' energy: -180.678 flat angles P-C4'-P energy: -143.132 tors. eta vs tors. theta energy: -196.678 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: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2148.831531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.831531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.831531 (E_RNA) where: Base-Base interactions energy: -1371.899 where: short stacking energy: -639.107 Base-Backbone interact. energy: -1.335 local terms energy: -775.597131 where: bonds (distance) C4'-P energy: -171.609 bonds (distance) P-C4' energy: -158.299 flat angles C4'-P-C4' energy: -174.755 flat angles P-C4'-P energy: -114.560 tors. eta vs tors. theta energy: -156.375 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: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1813.655837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.655837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.655837 (E_RNA) where: Base-Base interactions energy: -1108.811 where: short stacking energy: -531.546 Base-Backbone interact. energy: -0.174 local terms energy: -704.670596 where: bonds (distance) C4'-P energy: -152.642 bonds (distance) P-C4' energy: -179.777 flat angles C4'-P-C4' energy: -164.125 flat angles P-C4'-P energy: -84.750 tors. eta vs tors. theta energy: -123.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1626.038906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.038906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.038906 (E_RNA) where: Base-Base interactions energy: -1004.445 where: short stacking energy: -447.388 Base-Backbone interact. energy: -2.791 local terms energy: -618.802424 where: bonds (distance) C4'-P energy: -144.201 bonds (distance) P-C4' energy: -152.447 flat angles C4'-P-C4' energy: -143.007 flat angles P-C4'-P energy: -103.675 tors. eta vs tors. theta energy: -75.473 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: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1568.223811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.223811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.223811 (E_RNA) where: Base-Base interactions energy: -911.843 where: short stacking energy: -468.721 Base-Backbone interact. energy: 3.427 local terms energy: -659.807649 where: bonds (distance) C4'-P energy: -142.771 bonds (distance) P-C4' energy: -164.373 flat angles C4'-P-C4' energy: -167.841 flat angles P-C4'-P energy: -84.664 tors. eta vs tors. theta energy: -100.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -951.105308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.105308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.105308 (E_RNA) where: Base-Base interactions energy: -443.946 where: short stacking energy: -241.787 Base-Backbone interact. energy: -1.337 local terms energy: -505.822456 where: bonds (distance) C4'-P energy: -156.867 bonds (distance) P-C4' energy: -151.376 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -82.897 tors. eta vs tors. theta energy: 3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -830.454564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.454564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.454564 (E_RNA) where: Base-Base interactions energy: -385.753 where: short stacking energy: -250.633 Base-Backbone interact. energy: 7.957 local terms energy: -452.659255 where: bonds (distance) C4'-P energy: -141.525 bonds (distance) P-C4' energy: -137.454 flat angles C4'-P-C4' energy: -118.578 flat angles P-C4'-P energy: -76.262 tors. eta vs tors. theta energy: 21.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2946.025829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.025829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.025829 (E_RNA) where: Base-Base interactions energy: -1936.472 where: short stacking energy: -895.167 Base-Backbone interact. energy: -3.024 local terms energy: -1006.529502 where: bonds (distance) C4'-P energy: -195.051 bonds (distance) P-C4' energy: -194.460 flat angles C4'-P-C4' energy: -205.327 flat angles P-C4'-P energy: -142.908 tors. eta vs tors. theta energy: -268.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2826.132865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.132865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.132865 (E_RNA) where: Base-Base interactions energy: -1901.919 where: short stacking energy: -789.734 Base-Backbone interact. energy: -5.556 local terms energy: -918.657758 where: bonds (distance) C4'-P energy: -181.159 bonds (distance) P-C4' energy: -174.692 flat angles C4'-P-C4' energy: -210.729 flat angles P-C4'-P energy: -128.968 tors. eta vs tors. theta energy: -223.110 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: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2731.417310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.417310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.417310 (E_RNA) where: Base-Base interactions energy: -1763.913 where: short stacking energy: -808.741 Base-Backbone interact. energy: 2.028 local terms energy: -969.531702 where: bonds (distance) C4'-P energy: -171.053 bonds (distance) P-C4' energy: -175.247 flat angles C4'-P-C4' energy: -214.297 flat angles P-C4'-P energy: -148.066 tors. eta vs tors. theta energy: -260.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2440.617908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.617908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.617908 (E_RNA) where: Base-Base interactions energy: -1626.144 where: short stacking energy: -679.479 Base-Backbone interact. energy: -3.828 local terms energy: -810.646691 where: bonds (distance) C4'-P energy: -160.323 bonds (distance) P-C4' energy: -170.945 flat angles C4'-P-C4' energy: -192.871 flat angles P-C4'-P energy: -115.406 tors. eta vs tors. theta energy: -171.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2268.125091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.125091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.125091 (E_RNA) where: Base-Base interactions energy: -1456.592 where: short stacking energy: -636.504 Base-Backbone interact. energy: 5.482 local terms energy: -817.015146 where: bonds (distance) C4'-P energy: -170.521 bonds (distance) P-C4' energy: -172.679 flat angles C4'-P-C4' energy: -187.364 flat angles P-C4'-P energy: -110.520 tors. eta vs tors. theta energy: -175.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1811.896911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.896911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.896911 (E_RNA) where: Base-Base interactions energy: -1098.214 where: short stacking energy: -532.876 Base-Backbone interact. energy: -3.798 local terms energy: -709.884780 where: bonds (distance) C4'-P energy: -159.227 bonds (distance) P-C4' energy: -166.187 flat angles C4'-P-C4' energy: -171.818 flat angles P-C4'-P energy: -81.707 tors. eta vs tors. theta energy: -130.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1614.238427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.238427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.238427 (E_RNA) where: Base-Base interactions energy: -1001.174 where: short stacking energy: -461.941 Base-Backbone interact. energy: 3.098 local terms energy: -616.162452 where: bonds (distance) C4'-P energy: -147.910 bonds (distance) P-C4' energy: -146.739 flat angles C4'-P-C4' energy: -161.569 flat angles P-C4'-P energy: -104.369 tors. eta vs tors. theta energy: -55.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1467.312872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.312872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.312872 (E_RNA) where: Base-Base interactions energy: -848.199 where: short stacking energy: -389.128 Base-Backbone interact. energy: 5.825 local terms energy: -624.938313 where: bonds (distance) C4'-P energy: -146.703 bonds (distance) P-C4' energy: -155.368 flat angles C4'-P-C4' energy: -152.286 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -73.801 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: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -938.208462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.208462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.208462 (E_RNA) where: Base-Base interactions energy: -447.490 where: short stacking energy: -251.897 Base-Backbone interact. energy: 3.138 local terms energy: -493.856752 where: bonds (distance) C4'-P energy: -138.599 bonds (distance) P-C4' energy: -149.059 flat angles C4'-P-C4' energy: -121.043 flat angles P-C4'-P energy: -73.642 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -812.734425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.734425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.734425 (E_RNA) where: Base-Base interactions energy: -366.431 where: short stacking energy: -240.657 Base-Backbone interact. energy: -0.073 local terms energy: -446.230751 where: bonds (distance) C4'-P energy: -101.315 bonds (distance) P-C4' energy: -165.423 flat angles C4'-P-C4' energy: -137.885 flat angles P-C4'-P energy: -52.372 tors. eta vs tors. theta energy: 10.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2920.459674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.459674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.459674 (E_RNA) where: Base-Base interactions energy: -1917.258 where: short stacking energy: -901.951 Base-Backbone interact. energy: -3.455 local terms energy: -999.746561 where: bonds (distance) C4'-P energy: -190.331 bonds (distance) P-C4' energy: -201.657 flat angles C4'-P-C4' energy: -210.673 flat angles P-C4'-P energy: -131.476 tors. eta vs tors. theta energy: -265.610 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: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2771.408097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.408097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.408097 (E_RNA) where: Base-Base interactions energy: -1878.570 where: short stacking energy: -762.467 Base-Backbone interact. energy: -6.433 local terms energy: -886.405421 where: bonds (distance) C4'-P energy: -168.594 bonds (distance) P-C4' energy: -172.192 flat angles C4'-P-C4' energy: -193.579 flat angles P-C4'-P energy: -121.822 tors. eta vs tors. theta energy: -230.218 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: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2708.590703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.590703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.590703 (E_RNA) where: Base-Base interactions energy: -1797.081 where: short stacking energy: -827.669 Base-Backbone interact. energy: -4.601 local terms energy: -906.908536 where: bonds (distance) C4'-P energy: -166.783 bonds (distance) P-C4' energy: -178.725 flat angles C4'-P-C4' energy: -182.173 flat angles P-C4'-P energy: -125.477 tors. eta vs tors. theta energy: -253.751 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: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2479.466818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.466818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.466818 (E_RNA) where: Base-Base interactions energy: -1623.020 where: short stacking energy: -713.718 Base-Backbone interact. energy: -3.355 local terms energy: -853.091971 where: bonds (distance) C4'-P energy: -161.904 bonds (distance) P-C4' energy: -180.095 flat angles C4'-P-C4' energy: -183.731 flat angles P-C4'-P energy: -118.670 tors. eta vs tors. theta energy: -208.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2223.479674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.479674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.479674 (E_RNA) where: Base-Base interactions energy: -1465.592 where: short stacking energy: -649.016 Base-Backbone interact. energy: -5.019 local terms energy: -752.868854 where: bonds (distance) C4'-P energy: -151.527 bonds (distance) P-C4' energy: -155.568 flat angles C4'-P-C4' energy: -190.614 flat angles P-C4'-P energy: -97.428 tors. eta vs tors. theta energy: -157.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1856.337060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.337060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.337060 (E_RNA) where: Base-Base interactions energy: -1148.044 where: short stacking energy: -577.376 Base-Backbone interact. energy: -2.230 local terms energy: -706.062420 where: bonds (distance) C4'-P energy: -131.184 bonds (distance) P-C4' energy: -170.974 flat angles C4'-P-C4' energy: -159.814 flat angles P-C4'-P energy: -101.691 tors. eta vs tors. theta energy: -142.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1688.988673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.988673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.988673 (E_RNA) where: Base-Base interactions energy: -1043.563 where: short stacking energy: -491.648 Base-Backbone interact. energy: -3.035 local terms energy: -642.390641 where: bonds (distance) C4'-P energy: -138.287 bonds (distance) P-C4' energy: -168.400 flat angles C4'-P-C4' energy: -149.095 flat angles P-C4'-P energy: -87.420 tors. eta vs tors. theta energy: -99.189 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: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1398.276777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.276777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.276777 (E_RNA) where: Base-Base interactions energy: -843.300 where: short stacking energy: -406.156 Base-Backbone interact. energy: 3.269 local terms energy: -558.245678 where: bonds (distance) C4'-P energy: -137.717 bonds (distance) P-C4' energy: -138.510 flat angles C4'-P-C4' energy: -130.447 flat angles P-C4'-P energy: -94.856 tors. eta vs tors. theta energy: -56.716 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: 118 Temperature: 1.300000 Total energy: -838.592768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.592768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.592768 (E_RNA) where: Base-Base interactions energy: -372.638 where: short stacking energy: -215.134 Base-Backbone interact. energy: -2.071 local terms energy: -463.883470 where: bonds (distance) C4'-P energy: -136.009 bonds (distance) P-C4' energy: -165.764 flat angles C4'-P-C4' energy: -129.878 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: 21.425 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: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -784.512939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.512939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.512939 (E_RNA) where: Base-Base interactions energy: -320.164 where: short stacking energy: -212.177 Base-Backbone interact. energy: 3.855 local terms energy: -468.204678 where: bonds (distance) C4'-P energy: -144.916 bonds (distance) P-C4' energy: -158.010 flat angles C4'-P-C4' energy: -131.621 flat angles P-C4'-P energy: -59.430 tors. eta vs tors. theta energy: 25.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2940.341352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.341352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.341352 (E_RNA) where: Base-Base interactions energy: -1942.923 where: short stacking energy: -898.709 Base-Backbone interact. energy: -3.550 local terms energy: -993.868183 where: bonds (distance) C4'-P energy: -188.505 bonds (distance) P-C4' energy: -184.111 flat angles C4'-P-C4' energy: -207.529 flat angles P-C4'-P energy: -147.042 tors. eta vs tors. theta energy: -266.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2768.226785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.226785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.226785 (E_RNA) where: Base-Base interactions energy: -1879.592 where: short stacking energy: -793.050 Base-Backbone interact. energy: 1.437 local terms energy: -890.072115 where: bonds (distance) C4'-P energy: -170.841 bonds (distance) P-C4' energy: -176.474 flat angles C4'-P-C4' energy: -203.545 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -226.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2741.602162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.602162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.602162 (E_RNA) where: Base-Base interactions energy: -1829.100 where: short stacking energy: -859.880 Base-Backbone interact. energy: -0.143 local terms energy: -912.359579 where: bonds (distance) C4'-P energy: -158.543 bonds (distance) P-C4' energy: -171.633 flat angles C4'-P-C4' energy: -191.524 flat angles P-C4'-P energy: -133.753 tors. eta vs tors. theta energy: -256.907 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: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2439.063868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.063868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.063868 (E_RNA) where: Base-Base interactions energy: -1586.702 where: short stacking energy: -727.136 Base-Backbone interact. energy: -1.724 local terms energy: -850.638439 where: bonds (distance) C4'-P energy: -165.329 bonds (distance) P-C4' energy: -173.056 flat angles C4'-P-C4' energy: -197.031 flat angles P-C4'-P energy: -113.839 tors. eta vs tors. theta energy: -201.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2220.898926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.898926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.898926 (E_RNA) where: Base-Base interactions energy: -1406.365 where: short stacking energy: -636.414 Base-Backbone interact. energy: -3.478 local terms energy: -811.056244 where: bonds (distance) C4'-P energy: -164.283 bonds (distance) P-C4' energy: -186.792 flat angles C4'-P-C4' energy: -177.168 flat angles P-C4'-P energy: -120.418 tors. eta vs tors. theta energy: -162.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1809.716650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.716650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.716650 (E_RNA) where: Base-Base interactions energy: -1087.689 where: short stacking energy: -499.494 Base-Backbone interact. energy: -3.157 local terms energy: -718.870402 where: bonds (distance) C4'-P energy: -170.463 bonds (distance) P-C4' energy: -177.377 flat angles C4'-P-C4' energy: -160.766 flat angles P-C4'-P energy: -96.169 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: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1687.566018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.566018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.566018 (E_RNA) where: Base-Base interactions energy: -1016.680 where: short stacking energy: -468.840 Base-Backbone interact. energy: -2.297 local terms energy: -668.588835 where: bonds (distance) C4'-P energy: -151.873 bonds (distance) P-C4' energy: -163.977 flat angles C4'-P-C4' energy: -179.650 flat angles P-C4'-P energy: -92.558 tors. eta vs tors. theta energy: -80.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1405.435254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.435254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.435254 (E_RNA) where: Base-Base interactions energy: -806.935 where: short stacking energy: -402.895 Base-Backbone interact. energy: -1.729 local terms energy: -596.771210 where: bonds (distance) C4'-P energy: -126.233 bonds (distance) P-C4' energy: -160.787 flat angles C4'-P-C4' energy: -154.410 flat angles P-C4'-P energy: -88.400 tors. eta vs tors. theta energy: -66.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -916.870595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.870595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.870595 (E_RNA) where: Base-Base interactions energy: -449.282 where: short stacking energy: -259.698 Base-Backbone interact. energy: 5.784 local terms energy: -473.372534 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -144.373 flat angles C4'-P-C4' energy: -113.446 flat angles P-C4'-P energy: -72.366 tors. eta vs tors. theta energy: 2.266 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: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -727.989566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.989566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.989566 (E_RNA) where: Base-Base interactions energy: -252.720 where: short stacking energy: -185.456 Base-Backbone interact. energy: -3.184 local terms energy: -472.086193 where: bonds (distance) C4'-P energy: -169.267 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -104.642 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: 27.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2942.030219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.030219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.030219 (E_RNA) where: Base-Base interactions energy: -1963.828 where: short stacking energy: -907.498 Base-Backbone interact. energy: 0.662 local terms energy: -978.864099 where: bonds (distance) C4'-P energy: -174.266 bonds (distance) P-C4' energy: -184.543 flat angles C4'-P-C4' energy: -207.406 flat angles P-C4'-P energy: -145.261 tors. eta vs tors. theta energy: -267.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2774.202382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.202382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.202382 (E_RNA) where: Base-Base interactions energy: -1872.805 where: short stacking energy: -825.222 Base-Backbone interact. energy: -1.884 local terms energy: -899.513236 where: bonds (distance) C4'-P energy: -167.927 bonds (distance) P-C4' energy: -179.354 flat angles C4'-P-C4' energy: -194.387 flat angles P-C4'-P energy: -124.363 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: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2742.244943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.244943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.244943 (E_RNA) where: Base-Base interactions energy: -1795.890 where: short stacking energy: -822.873 Base-Backbone interact. energy: -1.972 local terms energy: -944.383186 where: bonds (distance) C4'-P energy: -172.311 bonds (distance) P-C4' energy: -179.823 flat angles C4'-P-C4' energy: -206.826 flat angles P-C4'-P energy: -133.409 tors. eta vs tors. theta energy: -252.015 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: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2405.311680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.311680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.311680 (E_RNA) where: Base-Base interactions energy: -1552.418 where: short stacking energy: -716.711 Base-Backbone interact. energy: 1.722 local terms energy: -854.615254 where: bonds (distance) C4'-P energy: -158.695 bonds (distance) P-C4' energy: -167.612 flat angles C4'-P-C4' energy: -190.117 flat angles P-C4'-P energy: -132.377 tors. eta vs tors. theta energy: -205.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2104.604994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.604994 (E_RNA) where: Base-Base interactions energy: -1341.084 where: short stacking energy: -632.279 Base-Backbone interact. energy: -3.932 local terms energy: -759.588370 where: bonds (distance) C4'-P energy: -162.106 bonds (distance) P-C4' energy: -163.757 flat angles C4'-P-C4' energy: -163.049 flat angles P-C4'-P energy: -107.861 tors. eta vs tors. theta energy: -162.815 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: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1824.905401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.905401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.905401 (E_RNA) where: Base-Base interactions energy: -1103.647 where: short stacking energy: -545.130 Base-Backbone interact. energy: -1.305 local terms energy: -719.953654 where: bonds (distance) C4'-P energy: -162.234 bonds (distance) P-C4' energy: -175.317 flat angles C4'-P-C4' energy: -161.748 flat angles P-C4'-P energy: -87.306 tors. eta vs tors. theta energy: -133.349 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: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1682.994962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.994962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.994962 (E_RNA) where: Base-Base interactions energy: -1016.809 where: short stacking energy: -489.561 Base-Backbone interact. energy: 6.660 local terms energy: -672.845504 where: bonds (distance) C4'-P energy: -158.574 bonds (distance) P-C4' energy: -157.084 flat angles C4'-P-C4' energy: -157.534 flat angles P-C4'-P energy: -104.070 tors. eta vs tors. theta energy: -95.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1384.700118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.700118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.700118 (E_RNA) where: Base-Base interactions energy: -799.628 where: short stacking energy: -390.594 Base-Backbone interact. energy: -2.194 local terms energy: -582.878521 where: bonds (distance) C4'-P energy: -148.961 bonds (distance) P-C4' energy: -154.415 flat angles C4'-P-C4' energy: -133.130 flat angles P-C4'-P energy: -86.572 tors. eta vs tors. theta energy: -59.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -897.016444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.016444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.016444 (E_RNA) where: Base-Base interactions energy: -407.085 where: short stacking energy: -267.748 Base-Backbone interact. energy: 7.517 local terms energy: -497.448534 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -161.643 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: 10.052 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: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -728.409996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.409996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.409996 (E_RNA) where: Base-Base interactions energy: -270.991 where: short stacking energy: -185.088 Base-Backbone interact. energy: 2.897 local terms energy: -460.315914 where: bonds (distance) C4'-P energy: -147.650 bonds (distance) P-C4' energy: -167.464 flat angles C4'-P-C4' energy: -119.760 flat angles P-C4'-P energy: -71.766 tors. eta vs tors. theta energy: 46.324 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2957.833636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.833636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.833636 (E_RNA) where: Base-Base interactions energy: -1986.206 where: short stacking energy: -912.140 Base-Backbone interact. energy: 1.233 local terms energy: -972.860034 where: bonds (distance) C4'-P energy: -171.646 bonds (distance) P-C4' energy: -178.550 flat angles C4'-P-C4' energy: -222.430 flat angles P-C4'-P energy: -132.695 tors. eta vs tors. theta energy: -267.539 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: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2778.897585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.897585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.897585 (E_RNA) where: Base-Base interactions energy: -1843.737 where: short stacking energy: -823.067 Base-Backbone interact. energy: -3.781 local terms energy: -931.379723 where: bonds (distance) C4'-P energy: -175.090 bonds (distance) P-C4' energy: -179.475 flat angles C4'-P-C4' energy: -202.400 flat angles P-C4'-P energy: -132.307 tors. eta vs tors. theta energy: -242.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2731.963235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.963235 (E_RNA) where: Base-Base interactions energy: -1785.435 where: short stacking energy: -841.716 Base-Backbone interact. energy: -0.456 local terms energy: -946.071947 where: bonds (distance) C4'-P energy: -176.982 bonds (distance) P-C4' energy: -168.346 flat angles C4'-P-C4' energy: -222.895 flat angles P-C4'-P energy: -126.237 tors. eta vs tors. theta energy: -251.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2416.892410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.892410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.892410 (E_RNA) where: Base-Base interactions energy: -1551.374 where: short stacking energy: -664.608 Base-Backbone interact. energy: -2.917 local terms energy: -862.601198 where: bonds (distance) C4'-P energy: -187.274 bonds (distance) P-C4' energy: -171.826 flat angles C4'-P-C4' energy: -189.170 flat angles P-C4'-P energy: -117.824 tors. eta vs tors. theta energy: -196.507 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: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2168.516123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.516123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.516123 (E_RNA) where: Base-Base interactions energy: -1404.431 where: short stacking energy: -621.598 Base-Backbone interact. energy: -0.437 local terms energy: -763.648376 where: bonds (distance) C4'-P energy: -156.260 bonds (distance) P-C4' energy: -163.282 flat angles C4'-P-C4' energy: -182.225 flat angles P-C4'-P energy: -91.339 tors. eta vs tors. theta energy: -170.543 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: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1784.568887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.568887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.568887 (E_RNA) where: Base-Base interactions energy: -1060.185 where: short stacking energy: -505.441 Base-Backbone interact. energy: -0.542 local terms energy: -723.841672 where: bonds (distance) C4'-P energy: -154.707 bonds (distance) P-C4' energy: -157.772 flat angles C4'-P-C4' energy: -187.480 flat angles P-C4'-P energy: -101.421 tors. eta vs tors. theta energy: -122.462 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: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1729.231194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.231194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.231194 (E_RNA) where: Base-Base interactions energy: -1060.795 where: short stacking energy: -463.185 Base-Backbone interact. energy: 3.577 local terms energy: -672.013202 where: bonds (distance) C4'-P energy: -143.864 bonds (distance) P-C4' energy: -176.630 flat angles C4'-P-C4' energy: -151.199 flat angles P-C4'-P energy: -109.060 tors. eta vs tors. theta energy: -91.260 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: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1419.893345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.893345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.893345 (E_RNA) where: Base-Base interactions energy: -834.677 where: short stacking energy: -371.229 Base-Backbone interact. energy: 1.678 local terms energy: -586.894258 where: bonds (distance) C4'-P energy: -134.347 bonds (distance) P-C4' energy: -162.015 flat angles C4'-P-C4' energy: -158.765 flat angles P-C4'-P energy: -91.592 tors. eta vs tors. theta energy: -40.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -920.176143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.176143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.176143 (E_RNA) where: Base-Base interactions energy: -373.797 where: short stacking energy: -239.159 Base-Backbone interact. energy: -1.032 local terms energy: -545.347334 where: bonds (distance) C4'-P energy: -152.466 bonds (distance) P-C4' energy: -164.393 flat angles C4'-P-C4' energy: -131.308 flat angles P-C4'-P energy: -96.531 tors. eta vs tors. theta energy: -0.650 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: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -729.096854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.096854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.096854 (E_RNA) where: Base-Base interactions energy: -276.781 where: short stacking energy: -183.172 Base-Backbone interact. energy: 3.960 local terms energy: -456.275483 where: bonds (distance) C4'-P energy: -146.478 bonds (distance) P-C4' energy: -155.146 flat angles C4'-P-C4' energy: -134.947 flat angles P-C4'-P energy: -83.459 tors. eta vs tors. theta energy: 63.754 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: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2960.935277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.935277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.935277 (E_RNA) where: Base-Base interactions energy: -1960.102 where: short stacking energy: -882.293 Base-Backbone interact. energy: -3.266 local terms energy: -997.567294 where: bonds (distance) C4'-P energy: -186.807 bonds (distance) P-C4' energy: -186.448 flat angles C4'-P-C4' energy: -210.572 flat angles P-C4'-P energy: -133.337 tors. eta vs tors. theta energy: -280.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2781.758707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.758707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.758707 (E_RNA) where: Base-Base interactions energy: -1894.189 where: short stacking energy: -848.726 Base-Backbone interact. energy: -5.370 local terms energy: -882.200355 where: bonds (distance) C4'-P energy: -159.055 bonds (distance) P-C4' energy: -172.266 flat angles C4'-P-C4' energy: -194.238 flat angles P-C4'-P energy: -121.053 tors. eta vs tors. theta energy: -235.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2699.862240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.862240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.862240 (E_RNA) where: Base-Base interactions energy: -1791.941 where: short stacking energy: -811.365 Base-Backbone interact. energy: -1.769 local terms energy: -906.151813 where: bonds (distance) C4'-P energy: -168.070 bonds (distance) P-C4' energy: -171.611 flat angles C4'-P-C4' energy: -181.674 flat angles P-C4'-P energy: -140.485 tors. eta vs tors. theta energy: -244.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2414.433780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.433780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.433780 (E_RNA) where: Base-Base interactions energy: -1606.306 where: short stacking energy: -692.981 Base-Backbone interact. energy: -0.168 local terms energy: -807.960095 where: bonds (distance) C4'-P energy: -143.615 bonds (distance) P-C4' energy: -177.393 flat angles C4'-P-C4' energy: -189.213 flat angles P-C4'-P energy: -115.063 tors. eta vs tors. theta energy: -182.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2206.736892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.736892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.736892 (E_RNA) where: Base-Base interactions energy: -1414.022 where: short stacking energy: -662.626 Base-Backbone interact. energy: 0.500 local terms energy: -793.214631 where: bonds (distance) C4'-P energy: -158.538 bonds (distance) P-C4' energy: -180.364 flat angles C4'-P-C4' energy: -183.510 flat angles P-C4'-P energy: -111.754 tors. eta vs tors. theta energy: -159.049 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: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1816.433856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.433856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.433856 (E_RNA) where: Base-Base interactions energy: -1111.380 where: short stacking energy: -560.477 Base-Backbone interact. energy: -1.003 local terms energy: -704.050473 where: bonds (distance) C4'-P energy: -140.894 bonds (distance) P-C4' energy: -183.062 flat angles C4'-P-C4' energy: -144.870 flat angles P-C4'-P energy: -117.676 tors. eta vs tors. theta energy: -117.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1687.936065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.936065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.936065 (E_RNA) where: Base-Base interactions energy: -1017.558 where: short stacking energy: -475.674 Base-Backbone interact. energy: -3.683 local terms energy: -666.695176 where: bonds (distance) C4'-P energy: -158.396 bonds (distance) P-C4' energy: -149.122 flat angles C4'-P-C4' energy: -146.398 flat angles P-C4'-P energy: -123.717 tors. eta vs tors. theta energy: -89.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1410.435414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.435414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.435414 (E_RNA) where: Base-Base interactions energy: -834.387 where: short stacking energy: -405.467 Base-Backbone interact. energy: -1.124 local terms energy: -574.924122 where: bonds (distance) C4'-P energy: -149.612 bonds (distance) P-C4' energy: -172.208 flat angles C4'-P-C4' energy: -118.357 flat angles P-C4'-P energy: -81.209 tors. eta vs tors. theta energy: -53.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -820.280947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.280947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.280947 (E_RNA) where: Base-Base interactions energy: -324.784 where: short stacking energy: -225.593 Base-Backbone interact. energy: 2.089 local terms energy: -497.586549 where: bonds (distance) C4'-P energy: -138.828 bonds (distance) P-C4' energy: -170.431 flat angles C4'-P-C4' energy: -137.459 flat angles P-C4'-P energy: -77.489 tors. eta vs tors. theta energy: 26.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -759.247157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.247157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.247157 (E_RNA) where: Base-Base interactions energy: -295.005 where: short stacking energy: -215.734 Base-Backbone interact. energy: 5.558 local terms energy: -469.800126 where: bonds (distance) C4'-P energy: -148.760 bonds (distance) P-C4' energy: -158.973 flat angles C4'-P-C4' energy: -134.949 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: 30.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2947.903701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.903701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.903701 (E_RNA) where: Base-Base interactions energy: -1966.352 where: short stacking energy: -887.335 Base-Backbone interact. energy: -2.475 local terms energy: -979.076831 where: bonds (distance) C4'-P energy: -183.439 bonds (distance) P-C4' energy: -183.354 flat angles C4'-P-C4' energy: -197.121 flat angles P-C4'-P energy: -138.077 tors. eta vs tors. theta energy: -277.085 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: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2749.018427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.018427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.018427 (E_RNA) where: Base-Base interactions energy: -1868.860 where: short stacking energy: -822.305 Base-Backbone interact. energy: 1.212 local terms energy: -881.370696 where: bonds (distance) C4'-P energy: -157.728 bonds (distance) P-C4' energy: -184.853 flat angles C4'-P-C4' energy: -200.668 flat angles P-C4'-P energy: -115.782 tors. eta vs tors. theta energy: -222.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2746.515871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.515871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.515871 (E_RNA) where: Base-Base interactions energy: -1839.498 where: short stacking energy: -844.461 Base-Backbone interact. energy: 0.358 local terms energy: -907.375804 where: bonds (distance) C4'-P energy: -150.925 bonds (distance) P-C4' energy: -174.181 flat angles C4'-P-C4' energy: -193.675 flat angles P-C4'-P energy: -137.428 tors. eta vs tors. theta energy: -251.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2464.091168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.091168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.091168 (E_RNA) where: Base-Base interactions energy: -1629.020 where: short stacking energy: -708.580 Base-Backbone interact. energy: -2.199 local terms energy: -832.872763 where: bonds (distance) C4'-P energy: -154.923 bonds (distance) P-C4' energy: -168.785 flat angles C4'-P-C4' energy: -187.106 flat angles P-C4'-P energy: -118.592 tors. eta vs tors. theta energy: -203.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2168.932537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.932537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.932537 (E_RNA) where: Base-Base interactions energy: -1392.497 where: short stacking energy: -636.114 Base-Backbone interact. energy: -2.177 local terms energy: -774.259183 where: bonds (distance) C4'-P energy: -147.381 bonds (distance) P-C4' energy: -168.773 flat angles C4'-P-C4' energy: -203.580 flat angles P-C4'-P energy: -88.201 tors. eta vs tors. theta energy: -166.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1812.728568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.728568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.728568 (E_RNA) where: Base-Base interactions energy: -1149.915 where: short stacking energy: -528.029 Base-Backbone interact. energy: 0.317 local terms energy: -663.130318 where: bonds (distance) C4'-P energy: -155.115 bonds (distance) P-C4' energy: -165.908 flat angles C4'-P-C4' energy: -140.581 flat angles P-C4'-P energy: -101.928 tors. eta vs tors. theta energy: -99.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1708.820309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.820309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.820309 (E_RNA) where: Base-Base interactions energy: -1014.815 where: short stacking energy: -466.906 Base-Backbone interact. energy: -2.133 local terms energy: -691.872738 where: bonds (distance) C4'-P energy: -155.317 bonds (distance) P-C4' energy: -166.049 flat angles C4'-P-C4' energy: -154.582 flat angles P-C4'-P energy: -116.644 tors. eta vs tors. theta energy: -99.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1411.492680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.492680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.492680 (E_RNA) where: Base-Base interactions energy: -812.061 where: short stacking energy: -384.883 Base-Backbone interact. energy: 7.486 local terms energy: -606.917397 where: bonds (distance) C4'-P energy: -159.201 bonds (distance) P-C4' energy: -146.563 flat angles C4'-P-C4' energy: -161.968 flat angles P-C4'-P energy: -78.540 tors. eta vs tors. theta energy: -60.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -880.455161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.455161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.455161 (E_RNA) where: Base-Base interactions energy: -372.879 where: short stacking energy: -228.945 Base-Backbone interact. energy: 0.137 local terms energy: -507.712714 where: bonds (distance) C4'-P energy: -166.463 bonds (distance) P-C4' energy: -157.554 flat angles C4'-P-C4' energy: -131.155 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: 7.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -737.563735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.563735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.563735 (E_RNA) where: Base-Base interactions energy: -290.385 where: short stacking energy: -194.216 Base-Backbone interact. energy: 2.291 local terms energy: -449.470032 where: bonds (distance) C4'-P energy: -137.903 bonds (distance) P-C4' energy: -155.050 flat angles C4'-P-C4' energy: -127.031 flat angles P-C4'-P energy: -67.264 tors. eta vs tors. theta energy: 37.777 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: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2968.952743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.952743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.952743 (E_RNA) where: Base-Base interactions energy: -1978.216 where: short stacking energy: -930.737 Base-Backbone interact. energy: -0.689 local terms energy: -990.047568 where: bonds (distance) C4'-P energy: -178.837 bonds (distance) P-C4' energy: -186.751 flat angles C4'-P-C4' energy: -201.376 flat angles P-C4'-P energy: -140.559 tors. eta vs tors. theta energy: -282.525 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: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2799.476306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.476306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.476306 (E_RNA) where: Base-Base interactions energy: -1896.634 where: short stacking energy: -839.292 Base-Backbone interact. energy: -5.715 local terms energy: -897.127360 where: bonds (distance) C4'-P energy: -153.273 bonds (distance) P-C4' energy: -178.803 flat angles C4'-P-C4' energy: -202.792 flat angles P-C4'-P energy: -121.451 tors. eta vs tors. theta energy: -240.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2741.770283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.770283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.770283 (E_RNA) where: Base-Base interactions energy: -1818.658 where: short stacking energy: -825.393 Base-Backbone interact. energy: 0.250 local terms energy: -923.362773 where: bonds (distance) C4'-P energy: -174.204 bonds (distance) P-C4' energy: -185.489 flat angles C4'-P-C4' energy: -202.598 flat angles P-C4'-P energy: -115.839 tors. eta vs tors. theta energy: -245.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2470.642203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.642203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.642203 (E_RNA) where: Base-Base interactions energy: -1637.760 where: short stacking energy: -712.341 Base-Backbone interact. energy: 3.475 local terms energy: -836.357190 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -177.725 flat angles C4'-P-C4' energy: -192.298 flat angles P-C4'-P energy: -121.390 tors. eta vs tors. theta energy: -204.654 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: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2224.610218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.610218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.610218 (E_RNA) where: Base-Base interactions energy: -1440.624 where: short stacking energy: -641.758 Base-Backbone interact. energy: 2.909 local terms energy: -786.895077 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -184.908 flat angles C4'-P-C4' energy: -162.261 flat angles P-C4'-P energy: -113.907 tors. eta vs tors. theta energy: -181.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1823.780180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.780180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.780180 (E_RNA) where: Base-Base interactions energy: -1118.871 where: short stacking energy: -534.847 Base-Backbone interact. energy: -0.706 local terms energy: -704.202911 where: bonds (distance) C4'-P energy: -137.932 bonds (distance) P-C4' energy: -158.354 flat angles C4'-P-C4' energy: -171.702 flat angles P-C4'-P energy: -107.677 tors. eta vs tors. theta energy: -128.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1707.417101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.417101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.417101 (E_RNA) where: Base-Base interactions energy: -1064.638 where: short stacking energy: -509.635 Base-Backbone interact. energy: 1.198 local terms energy: -643.977269 where: bonds (distance) C4'-P energy: -139.102 bonds (distance) P-C4' energy: -157.592 flat angles C4'-P-C4' energy: -152.631 flat angles P-C4'-P energy: -82.753 tors. eta vs tors. theta energy: -111.900 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: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1415.117967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.117967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.117967 (E_RNA) where: Base-Base interactions energy: -803.311 where: short stacking energy: -401.569 Base-Backbone interact. energy: 0.241 local terms energy: -612.047909 where: bonds (distance) C4'-P energy: -120.533 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -161.844 flat angles P-C4'-P energy: -114.674 tors. eta vs tors. theta energy: -60.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -805.560049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.560049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.560049 (E_RNA) where: Base-Base interactions energy: -327.515 where: short stacking energy: -207.920 Base-Backbone interact. energy: 5.191 local terms energy: -483.236552 where: bonds (distance) C4'-P energy: -138.539 bonds (distance) P-C4' energy: -161.084 flat angles C4'-P-C4' energy: -129.235 flat angles P-C4'-P energy: -72.872 tors. eta vs tors. theta energy: 18.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -771.095477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.095477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.095477 (E_RNA) where: Base-Base interactions energy: -319.974 where: short stacking energy: -216.459 Base-Backbone interact. energy: 3.869 local terms energy: -454.991284 where: bonds (distance) C4'-P energy: -155.685 bonds (distance) P-C4' energy: -142.117 flat angles C4'-P-C4' energy: -98.768 flat angles P-C4'-P energy: -75.120 tors. eta vs tors. theta energy: 16.699 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: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2956.024447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.024447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.024447 (E_RNA) where: Base-Base interactions energy: -1994.205 where: short stacking energy: -909.393 Base-Backbone interact. energy: -4.615 local terms energy: -957.204661 where: bonds (distance) C4'-P energy: -168.731 bonds (distance) P-C4' energy: -189.795 flat angles C4'-P-C4' energy: -189.645 flat angles P-C4'-P energy: -138.838 tors. eta vs tors. theta energy: -270.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2823.932256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.932256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.932256 (E_RNA) where: Base-Base interactions energy: -1879.184 where: short stacking energy: -826.482 Base-Backbone interact. energy: -1.052 local terms energy: -943.696355 where: bonds (distance) C4'-P energy: -175.044 bonds (distance) P-C4' energy: -192.956 flat angles C4'-P-C4' energy: -204.374 flat angles P-C4'-P energy: -127.206 tors. eta vs tors. theta energy: -244.116 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: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2739.472562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.472562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.472562 (E_RNA) where: Base-Base interactions energy: -1842.252 where: short stacking energy: -832.043 Base-Backbone interact. energy: -0.877 local terms energy: -896.343540 where: bonds (distance) C4'-P energy: -165.515 bonds (distance) P-C4' energy: -167.086 flat angles C4'-P-C4' energy: -201.770 flat angles P-C4'-P energy: -117.421 tors. eta vs tors. theta energy: -244.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2456.841106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.841106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.841106 (E_RNA) where: Base-Base interactions energy: -1611.616 where: short stacking energy: -692.288 Base-Backbone interact. energy: 0.408 local terms energy: -845.633453 where: bonds (distance) C4'-P energy: -169.179 bonds (distance) P-C4' energy: -182.646 flat angles C4'-P-C4' energy: -181.439 flat angles P-C4'-P energy: -112.782 tors. eta vs tors. theta energy: -199.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2161.449048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.449048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.449048 (E_RNA) where: Base-Base interactions energy: -1402.186 where: short stacking energy: -607.526 Base-Backbone interact. energy: -1.984 local terms energy: -757.279198 where: bonds (distance) C4'-P energy: -175.095 bonds (distance) P-C4' energy: -148.131 flat angles C4'-P-C4' energy: -156.606 flat angles P-C4'-P energy: -117.025 tors. eta vs tors. theta energy: -160.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1776.699966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.699966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.699966 (E_RNA) where: Base-Base interactions energy: -1072.030 where: short stacking energy: -500.226 Base-Backbone interact. energy: -2.246 local terms energy: -702.423516 where: bonds (distance) C4'-P energy: -164.022 bonds (distance) P-C4' energy: -159.665 flat angles C4'-P-C4' energy: -161.769 flat angles P-C4'-P energy: -109.264 tors. eta vs tors. theta energy: -107.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1693.137148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.137148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.137148 (E_RNA) where: Base-Base interactions energy: -1036.620 where: short stacking energy: -485.531 Base-Backbone interact. energy: -0.780 local terms energy: -655.737075 where: bonds (distance) C4'-P energy: -147.623 bonds (distance) P-C4' energy: -160.506 flat angles C4'-P-C4' energy: -156.098 flat angles P-C4'-P energy: -95.995 tors. eta vs tors. theta energy: -95.516 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: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1405.706104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.706104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.706104 (E_RNA) where: Base-Base interactions energy: -815.171 where: short stacking energy: -407.519 Base-Backbone interact. energy: 1.266 local terms energy: -591.801195 where: bonds (distance) C4'-P energy: -137.629 bonds (distance) P-C4' energy: -151.945 flat angles C4'-P-C4' energy: -146.464 flat angles P-C4'-P energy: -77.873 tors. eta vs tors. theta energy: -77.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -858.940218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.940218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.940218 (E_RNA) where: Base-Base interactions energy: -355.102 where: short stacking energy: -241.653 Base-Backbone interact. energy: -1.662 local terms energy: -502.176182 where: bonds (distance) C4'-P energy: -128.517 bonds (distance) P-C4' energy: -159.709 flat angles C4'-P-C4' energy: -141.067 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -731.640080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.640080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.640080 (E_RNA) where: Base-Base interactions energy: -304.926 where: short stacking energy: -218.030 Base-Backbone interact. energy: 0.819 local terms energy: -427.533555 where: bonds (distance) C4'-P energy: -154.226 bonds (distance) P-C4' energy: -136.267 flat angles C4'-P-C4' energy: -99.781 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: 29.924 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: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2955.953248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.953248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.953248 (E_RNA) where: Base-Base interactions energy: -1961.454 where: short stacking energy: -902.675 Base-Backbone interact. energy: -0.803 local terms energy: -993.695474 where: bonds (distance) C4'-P energy: -188.852 bonds (distance) P-C4' energy: -188.286 flat angles C4'-P-C4' energy: -216.957 flat angles P-C4'-P energy: -133.665 tors. eta vs tors. theta energy: -265.937 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: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2803.194667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.194667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.194667 (E_RNA) where: Base-Base interactions energy: -1889.153 where: short stacking energy: -811.954 Base-Backbone interact. energy: -1.859 local terms energy: -912.182926 where: bonds (distance) C4'-P energy: -173.009 bonds (distance) P-C4' energy: -165.253 flat angles C4'-P-C4' energy: -190.361 flat angles P-C4'-P energy: -133.006 tors. eta vs tors. theta energy: -250.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2672.819967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.819967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.819967 (E_RNA) where: Base-Base interactions energy: -1760.935 where: short stacking energy: -793.431 Base-Backbone interact. energy: -1.666 local terms energy: -910.218845 where: bonds (distance) C4'-P energy: -168.453 bonds (distance) P-C4' energy: -170.072 flat angles C4'-P-C4' energy: -198.976 flat angles P-C4'-P energy: -136.750 tors. eta vs tors. theta energy: -235.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2535.506770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.506770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.506770 (E_RNA) where: Base-Base interactions energy: -1669.662 where: short stacking energy: -716.992 Base-Backbone interact. energy: -6.158 local terms energy: -859.686753 where: bonds (distance) C4'-P energy: -177.363 bonds (distance) P-C4' energy: -174.514 flat angles C4'-P-C4' energy: -184.697 flat angles P-C4'-P energy: -110.422 tors. eta vs tors. theta energy: -212.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2175.893741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.893741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.893741 (E_RNA) where: Base-Base interactions energy: -1457.862 where: short stacking energy: -629.722 Base-Backbone interact. energy: 2.891 local terms energy: -720.922519 where: bonds (distance) C4'-P energy: -141.565 bonds (distance) P-C4' energy: -152.142 flat angles C4'-P-C4' energy: -144.053 flat angles P-C4'-P energy: -114.161 tors. eta vs tors. theta energy: -169.001 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: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1841.788693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.788693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.788693 (E_RNA) where: Base-Base interactions energy: -1158.856 where: short stacking energy: -538.800 Base-Backbone interact. energy: 0.406 local terms energy: -683.338919 where: bonds (distance) C4'-P energy: -154.400 bonds (distance) P-C4' energy: -161.326 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -89.784 tors. eta vs tors. theta energy: -118.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1648.517477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.517477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.517477 (E_RNA) where: Base-Base interactions energy: -1013.362 where: short stacking energy: -465.371 Base-Backbone interact. energy: -2.246 local terms energy: -632.909988 where: bonds (distance) C4'-P energy: -155.846 bonds (distance) P-C4' energy: -152.430 flat angles C4'-P-C4' energy: -131.842 flat angles P-C4'-P energy: -104.067 tors. eta vs tors. theta energy: -88.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1373.816339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.816339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.816339 (E_RNA) where: Base-Base interactions energy: -788.356 where: short stacking energy: -410.878 Base-Backbone interact. energy: 4.792 local terms energy: -590.251601 where: bonds (distance) C4'-P energy: -148.709 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -167.263 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -51.225 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: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -820.146770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.146770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.146770 (E_RNA) where: Base-Base interactions energy: -310.656 where: short stacking energy: -257.296 Base-Backbone interact. energy: 2.150 local terms energy: -511.641142 where: bonds (distance) C4'-P energy: -130.506 bonds (distance) P-C4' energy: -147.840 flat angles C4'-P-C4' energy: -137.332 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -16.243 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: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -782.787937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.787937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.787937 (E_RNA) where: Base-Base interactions energy: -289.760 where: short stacking energy: -189.001 Base-Backbone interact. energy: 0.923 local terms energy: -493.950809 where: bonds (distance) C4'-P energy: -145.287 bonds (distance) P-C4' energy: -170.647 flat angles C4'-P-C4' energy: -148.994 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: 37.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2999.851881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.851881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.851881 (E_RNA) where: Base-Base interactions energy: -2019.341 where: short stacking energy: -902.985 Base-Backbone interact. energy: -1.720 local terms energy: -978.790860 where: bonds (distance) C4'-P energy: -162.855 bonds (distance) P-C4' energy: -189.739 flat angles C4'-P-C4' energy: -212.695 flat angles P-C4'-P energy: -139.239 tors. eta vs tors. theta energy: -274.263 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: 127 Temperature: 0.950000 Total energy: -2777.876136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.876136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.876136 (E_RNA) where: Base-Base interactions energy: -1830.495 where: short stacking energy: -809.380 Base-Backbone interact. energy: 2.848 local terms energy: -950.228620 where: bonds (distance) C4'-P energy: -190.696 bonds (distance) P-C4' energy: -181.714 flat angles C4'-P-C4' energy: -204.515 flat angles P-C4'-P energy: -141.403 tors. eta vs tors. theta energy: -231.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2720.327177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.327177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.327177 (E_RNA) where: Base-Base interactions energy: -1798.129 where: short stacking energy: -854.985 Base-Backbone interact. energy: -2.074 local terms energy: -920.123570 where: bonds (distance) C4'-P energy: -164.517 bonds (distance) P-C4' energy: -176.889 flat angles C4'-P-C4' energy: -196.018 flat angles P-C4'-P energy: -123.105 tors. eta vs tors. theta energy: -259.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2514.094967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.094967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.094967 (E_RNA) where: Base-Base interactions energy: -1718.195 where: short stacking energy: -706.425 Base-Backbone interact. energy: -0.971 local terms energy: -794.929034 where: bonds (distance) C4'-P energy: -147.354 bonds (distance) P-C4' energy: -167.739 flat angles C4'-P-C4' energy: -178.286 flat angles P-C4'-P energy: -114.246 tors. eta vs tors. theta energy: -187.304 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: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2173.119719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.119719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.119719 (E_RNA) where: Base-Base interactions energy: -1408.367 where: short stacking energy: -619.779 Base-Backbone interact. energy: -0.830 local terms energy: -763.923305 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -169.343 flat angles C4'-P-C4' energy: -172.646 flat angles P-C4'-P energy: -122.367 tors. eta vs tors. theta energy: -163.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1799.650942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.650942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.650942 (E_RNA) where: Base-Base interactions energy: -1069.608 where: short stacking energy: -498.343 Base-Backbone interact. energy: 3.998 local terms energy: -734.040804 where: bonds (distance) C4'-P energy: -191.646 bonds (distance) P-C4' energy: -181.556 flat angles C4'-P-C4' energy: -165.564 flat angles P-C4'-P energy: -95.721 tors. eta vs tors. theta energy: -99.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1708.828306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.828306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.828306 (E_RNA) where: Base-Base interactions energy: -1064.685 where: short stacking energy: -491.182 Base-Backbone interact. energy: 1.529 local terms energy: -645.672724 where: bonds (distance) C4'-P energy: -152.250 bonds (distance) P-C4' energy: -152.454 flat angles C4'-P-C4' energy: -157.248 flat angles P-C4'-P energy: -90.412 tors. eta vs tors. theta energy: -93.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1449.432218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.432218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.432218 (E_RNA) where: Base-Base interactions energy: -851.733 where: short stacking energy: -403.188 Base-Backbone interact. energy: -0.691 local terms energy: -597.007969 where: bonds (distance) C4'-P energy: -145.577 bonds (distance) P-C4' energy: -164.223 flat angles C4'-P-C4' energy: -133.578 flat angles P-C4'-P energy: -65.833 tors. eta vs tors. theta energy: -87.797 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: 9, replica: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -802.267159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.267159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.267159 (E_RNA) where: Base-Base interactions energy: -361.481 where: short stacking energy: -246.319 Base-Backbone interact. energy: 1.649 local terms energy: -442.435350 where: bonds (distance) C4'-P energy: -120.116 bonds (distance) P-C4' energy: -156.546 flat angles C4'-P-C4' energy: -99.995 flat angles P-C4'-P energy: -85.884 tors. eta vs tors. theta energy: 20.105 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: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -787.776884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.776884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.776884 (E_RNA) where: Base-Base interactions energy: -349.580 where: short stacking energy: -206.459 Base-Backbone interact. energy: -1.645 local terms energy: -436.552005 where: bonds (distance) C4'-P energy: -116.852 bonds (distance) P-C4' energy: -165.119 flat angles C4'-P-C4' energy: -116.742 flat angles P-C4'-P energy: -73.813 tors. eta vs tors. theta energy: 35.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3018.003599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.003599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.003599 (E_RNA) where: Base-Base interactions energy: -2070.647 where: short stacking energy: -946.857 Base-Backbone interact. energy: -0.104 local terms energy: -947.252182 where: bonds (distance) C4'-P energy: -184.741 bonds (distance) P-C4' energy: -182.079 flat angles C4'-P-C4' energy: -191.786 flat angles P-C4'-P energy: -119.645 tors. eta vs tors. theta energy: -269.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2805.758309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.758309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.758309 (E_RNA) where: Base-Base interactions energy: -1874.360 where: short stacking energy: -799.445 Base-Backbone interact. energy: -4.839 local terms energy: -926.559193 where: bonds (distance) C4'-P energy: -173.744 bonds (distance) P-C4' energy: -184.239 flat angles C4'-P-C4' energy: -192.556 flat angles P-C4'-P energy: -131.272 tors. eta vs tors. theta energy: -244.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2745.698616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.698616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.698616 (E_RNA) where: Base-Base interactions energy: -1833.703 where: short stacking energy: -847.406 Base-Backbone interact. energy: -1.913 local terms energy: -910.082283 where: bonds (distance) C4'-P energy: -150.659 bonds (distance) P-C4' energy: -191.025 flat angles C4'-P-C4' energy: -192.213 flat angles P-C4'-P energy: -122.379 tors. eta vs tors. theta energy: -253.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2515.793478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.793478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.793478 (E_RNA) where: Base-Base interactions energy: -1709.409 where: short stacking energy: -715.056 Base-Backbone interact. energy: 2.227 local terms energy: -808.611228 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -184.836 flat angles C4'-P-C4' energy: -176.225 flat angles P-C4'-P energy: -112.292 tors. eta vs tors. theta energy: -195.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2203.278881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.278881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.278881 (E_RNA) where: Base-Base interactions energy: -1429.700 where: short stacking energy: -659.085 Base-Backbone interact. energy: -2.363 local terms energy: -771.216253 where: bonds (distance) C4'-P energy: -150.064 bonds (distance) P-C4' energy: -159.224 flat angles C4'-P-C4' energy: -187.691 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -168.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1866.623369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.623369 (E_RNA) where: Base-Base interactions energy: -1170.785 where: short stacking energy: -525.309 Base-Backbone interact. energy: 1.141 local terms energy: -696.979001 where: bonds (distance) C4'-P energy: -174.615 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -163.980 flat angles P-C4'-P energy: -110.423 tors. eta vs tors. theta energy: -89.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1719.091617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.091617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.091617 (E_RNA) where: Base-Base interactions energy: -1062.879 where: short stacking energy: -500.454 Base-Backbone interact. energy: 0.166 local terms energy: -656.378566 where: bonds (distance) C4'-P energy: -172.389 bonds (distance) P-C4' energy: -131.971 flat angles C4'-P-C4' energy: -153.037 flat angles P-C4'-P energy: -100.563 tors. eta vs tors. theta energy: -98.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1516.062642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.062642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.062642 (E_RNA) where: Base-Base interactions energy: -878.324 where: short stacking energy: -418.716 Base-Backbone interact. energy: -1.309 local terms energy: -636.430273 where: bonds (distance) C4'-P energy: -168.944 bonds (distance) P-C4' energy: -151.408 flat angles C4'-P-C4' energy: -135.638 flat angles P-C4'-P energy: -92.804 tors. eta vs tors. theta energy: -87.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -811.764593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.764593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.764593 (E_RNA) where: Base-Base interactions energy: -316.879 where: short stacking energy: -219.152 Base-Backbone interact. energy: -2.054 local terms energy: -492.832238 where: bonds (distance) C4'-P energy: -151.854 bonds (distance) P-C4' energy: -157.635 flat angles C4'-P-C4' energy: -119.849 flat angles P-C4'-P energy: -82.382 tors. eta vs tors. theta energy: 18.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -788.083925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.083925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.083925 (E_RNA) where: Base-Base interactions energy: -313.393 where: short stacking energy: -170.725 Base-Backbone interact. energy: -1.131 local terms energy: -473.560473 where: bonds (distance) C4'-P energy: -174.890 bonds (distance) P-C4' energy: -163.450 flat angles C4'-P-C4' energy: -103.572 flat angles P-C4'-P energy: -71.158 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: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2996.635266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.635266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.635266 (E_RNA) where: Base-Base interactions energy: -2000.640 where: short stacking energy: -917.698 Base-Backbone interact. energy: 1.047 local terms energy: -997.041965 where: bonds (distance) C4'-P energy: -188.149 bonds (distance) P-C4' energy: -189.613 flat angles C4'-P-C4' energy: -205.534 flat angles P-C4'-P energy: -143.472 tors. eta vs tors. theta energy: -270.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2813.935299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.935299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.935299 (E_RNA) where: Base-Base interactions energy: -1881.090 where: short stacking energy: -871.827 Base-Backbone interact. energy: 2.266 local terms energy: -935.111251 where: bonds (distance) C4'-P energy: -174.164 bonds (distance) P-C4' energy: -183.016 flat angles C4'-P-C4' energy: -190.601 flat angles P-C4'-P energy: -127.712 tors. eta vs tors. theta energy: -259.619 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: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2703.752388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.752388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.752388 (E_RNA) where: Base-Base interactions energy: -1832.201 where: short stacking energy: -776.295 Base-Backbone interact. energy: -5.418 local terms energy: -866.132838 where: bonds (distance) C4'-P energy: -163.402 bonds (distance) P-C4' energy: -160.433 flat angles C4'-P-C4' energy: -204.178 flat angles P-C4'-P energy: -121.060 tors. eta vs tors. theta energy: -217.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2511.178684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.178684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.178684 (E_RNA) where: Base-Base interactions energy: -1661.118 where: short stacking energy: -666.643 Base-Backbone interact. energy: 0.171 local terms energy: -850.231275 where: bonds (distance) C4'-P energy: -174.692 bonds (distance) P-C4' energy: -181.873 flat angles C4'-P-C4' energy: -185.064 flat angles P-C4'-P energy: -131.349 tors. eta vs tors. theta energy: -177.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2222.671652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.671652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.671652 (E_RNA) where: Base-Base interactions energy: -1409.646 where: short stacking energy: -647.339 Base-Backbone interact. energy: 1.557 local terms energy: -814.581918 where: bonds (distance) C4'-P energy: -179.919 bonds (distance) P-C4' energy: -186.892 flat angles C4'-P-C4' energy: -167.389 flat angles P-C4'-P energy: -98.540 tors. eta vs tors. theta energy: -181.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1810.301504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.301504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.301504 (E_RNA) where: Base-Base interactions energy: -1134.590 where: short stacking energy: -524.365 Base-Backbone interact. energy: 0.101 local terms energy: -675.812533 where: bonds (distance) C4'-P energy: -153.803 bonds (distance) P-C4' energy: -168.331 flat angles C4'-P-C4' energy: -159.351 flat angles P-C4'-P energy: -95.944 tors. eta vs tors. theta energy: -98.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1707.834529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.834529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.834529 (E_RNA) where: Base-Base interactions energy: -1055.570 where: short stacking energy: -492.965 Base-Backbone interact. energy: 4.004 local terms energy: -656.268979 where: bonds (distance) C4'-P energy: -174.606 bonds (distance) P-C4' energy: -155.146 flat angles C4'-P-C4' energy: -150.356 flat angles P-C4'-P energy: -83.860 tors. eta vs tors. theta energy: -92.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1360.388864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.388864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.388864 (E_RNA) where: Base-Base interactions energy: -777.313 where: short stacking energy: -370.152 Base-Backbone interact. energy: 2.289 local terms energy: -585.364793 where: bonds (distance) C4'-P energy: -132.215 bonds (distance) P-C4' energy: -163.018 flat angles C4'-P-C4' energy: -161.589 flat angles P-C4'-P energy: -84.175 tors. eta vs tors. theta energy: -44.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -811.104529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.104529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.104529 (E_RNA) where: Base-Base interactions energy: -317.561 where: short stacking energy: -243.269 Base-Backbone interact. energy: 0.441 local terms energy: -493.984249 where: bonds (distance) C4'-P energy: -141.879 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -130.872 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: 14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -810.423336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.423336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.423336 (E_RNA) where: Base-Base interactions energy: -379.027 where: short stacking energy: -223.422 Base-Backbone interact. energy: 8.688 local terms energy: -440.085114 where: bonds (distance) C4'-P energy: -124.380 bonds (distance) P-C4' energy: -146.472 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -56.289 tors. eta vs tors. theta energy: 23.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2996.086697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.086697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.086697 (E_RNA) where: Base-Base interactions energy: -2025.698 where: short stacking energy: -906.586 Base-Backbone interact. energy: -2.716 local terms energy: -967.673176 where: bonds (distance) C4'-P energy: -174.592 bonds (distance) P-C4' energy: -195.896 flat angles C4'-P-C4' energy: -210.817 flat angles P-C4'-P energy: -120.862 tors. eta vs tors. theta energy: -265.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2825.264930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.264930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.264930 (E_RNA) where: Base-Base interactions energy: -1860.744 where: short stacking energy: -865.032 Base-Backbone interact. energy: -1.195 local terms energy: -963.326074 where: bonds (distance) C4'-P energy: -181.376 bonds (distance) P-C4' energy: -183.221 flat angles C4'-P-C4' energy: -218.441 flat angles P-C4'-P energy: -127.147 tors. eta vs tors. theta energy: -253.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2686.008799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.008799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.008799 (E_RNA) where: Base-Base interactions energy: -1817.726 where: short stacking energy: -784.460 Base-Backbone interact. energy: -4.254 local terms energy: -864.028443 where: bonds (distance) C4'-P energy: -160.864 bonds (distance) P-C4' energy: -184.327 flat angles C4'-P-C4' energy: -186.190 flat angles P-C4'-P energy: -110.795 tors. eta vs tors. theta energy: -221.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2480.624108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.624108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.624108 (E_RNA) where: Base-Base interactions energy: -1700.013 where: short stacking energy: -718.882 Base-Backbone interact. energy: 3.173 local terms energy: -783.784187 where: bonds (distance) C4'-P energy: -163.997 bonds (distance) P-C4' energy: -153.684 flat angles C4'-P-C4' energy: -169.529 flat angles P-C4'-P energy: -110.512 tors. eta vs tors. theta energy: -186.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2240.704864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.704864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.704864 (E_RNA) where: Base-Base interactions energy: -1436.120 where: short stacking energy: -660.298 Base-Backbone interact. energy: 2.450 local terms energy: -807.034093 where: bonds (distance) C4'-P energy: -176.133 bonds (distance) P-C4' energy: -158.905 flat angles C4'-P-C4' energy: -183.295 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -182.607 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: 130 Temperature: 1.150000 Total energy: -1847.799922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.799922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.799922 (E_RNA) where: Base-Base interactions energy: -1146.902 where: short stacking energy: -516.180 Base-Backbone interact. energy: -0.435 local terms energy: -700.462549 where: bonds (distance) C4'-P energy: -170.052 bonds (distance) P-C4' energy: -155.805 flat angles C4'-P-C4' energy: -167.015 flat angles P-C4'-P energy: -109.035 tors. eta vs tors. theta energy: -98.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1681.909323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.909323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.909323 (E_RNA) where: Base-Base interactions energy: -1042.278 where: short stacking energy: -463.922 Base-Backbone interact. energy: -4.933 local terms energy: -634.698640 where: bonds (distance) C4'-P energy: -134.237 bonds (distance) P-C4' energy: -159.683 flat angles C4'-P-C4' energy: -158.915 flat angles P-C4'-P energy: -101.907 tors. eta vs tors. theta energy: -79.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1377.098012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.098012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.098012 (E_RNA) where: Base-Base interactions energy: -810.158 where: short stacking energy: -401.331 Base-Backbone interact. energy: 1.371 local terms energy: -568.310700 where: bonds (distance) C4'-P energy: -132.616 bonds (distance) P-C4' energy: -162.150 flat angles C4'-P-C4' energy: -143.073 flat angles P-C4'-P energy: -73.587 tors. eta vs tors. theta energy: -56.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -926.157015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.157015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.157015 (E_RNA) where: Base-Base interactions energy: -412.240 where: short stacking energy: -268.781 Base-Backbone interact. energy: 2.022 local terms energy: -515.938173 where: bonds (distance) C4'-P energy: -163.136 bonds (distance) P-C4' energy: -155.367 flat angles C4'-P-C4' energy: -139.620 flat angles P-C4'-P energy: -78.810 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: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -775.134155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.134155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.134155 (E_RNA) where: Base-Base interactions energy: -300.077 where: short stacking energy: -204.117 Base-Backbone interact. energy: 4.707 local terms energy: -479.764262 where: bonds (distance) C4'-P energy: -139.224 bonds (distance) P-C4' energy: -167.372 flat angles C4'-P-C4' energy: -124.863 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: 34.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3003.734959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.734959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.734959 (E_RNA) where: Base-Base interactions energy: -2010.596 where: short stacking energy: -904.620 Base-Backbone interact. energy: 0.043 local terms energy: -993.182149 where: bonds (distance) C4'-P energy: -173.713 bonds (distance) P-C4' energy: -203.936 flat angles C4'-P-C4' energy: -206.572 flat angles P-C4'-P energy: -129.869 tors. eta vs tors. theta energy: -279.093 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: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2820.315417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.315417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.315417 (E_RNA) where: Base-Base interactions energy: -1867.474 where: short stacking energy: -854.036 Base-Backbone interact. energy: -2.220 local terms energy: -950.621259 where: bonds (distance) C4'-P energy: -179.424 bonds (distance) P-C4' energy: -175.659 flat angles C4'-P-C4' energy: -205.403 flat angles P-C4'-P energy: -139.429 tors. eta vs tors. theta energy: -250.706 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: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2670.921336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.921336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.921336 (E_RNA) where: Base-Base interactions energy: -1804.998 where: short stacking energy: -774.216 Base-Backbone interact. energy: -2.874 local terms energy: -863.049907 where: bonds (distance) C4'-P energy: -157.354 bonds (distance) P-C4' energy: -178.700 flat angles C4'-P-C4' energy: -185.898 flat angles P-C4'-P energy: -116.791 tors. eta vs tors. theta energy: -224.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2526.659880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.659880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.659880 (E_RNA) where: Base-Base interactions energy: -1692.422 where: short stacking energy: -724.322 Base-Backbone interact. energy: -3.801 local terms energy: -830.437398 where: bonds (distance) C4'-P energy: -160.249 bonds (distance) P-C4' energy: -178.555 flat angles C4'-P-C4' energy: -173.560 flat angles P-C4'-P energy: -100.143 tors. eta vs tors. theta energy: -217.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2227.306150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.306150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.306150 (E_RNA) where: Base-Base interactions energy: -1441.718 where: short stacking energy: -692.140 Base-Backbone interact. energy: -0.809 local terms energy: -784.778662 where: bonds (distance) C4'-P energy: -163.756 bonds (distance) P-C4' energy: -177.430 flat angles C4'-P-C4' energy: -174.722 flat angles P-C4'-P energy: -106.913 tors. eta vs tors. theta energy: -161.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1841.783041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.783041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.783041 (E_RNA) where: Base-Base interactions energy: -1134.760 where: short stacking energy: -533.986 Base-Backbone interact. energy: -2.376 local terms energy: -704.646478 where: bonds (distance) C4'-P energy: -182.820 bonds (distance) P-C4' energy: -177.843 flat angles C4'-P-C4' energy: -160.241 flat angles P-C4'-P energy: -93.390 tors. eta vs tors. theta energy: -90.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1680.688525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.688525 (E_RNA) where: Base-Base interactions energy: -997.576 where: short stacking energy: -443.741 Base-Backbone interact. energy: 0.059 local terms energy: -683.171293 where: bonds (distance) C4'-P energy: -147.013 bonds (distance) P-C4' energy: -171.278 flat angles C4'-P-C4' energy: -176.268 flat angles P-C4'-P energy: -107.440 tors. eta vs tors. theta energy: -81.172 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: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1395.998116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.998116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.998116 (E_RNA) where: Base-Base interactions energy: -788.176 where: short stacking energy: -386.082 Base-Backbone interact. energy: -2.730 local terms energy: -605.092075 where: bonds (distance) C4'-P energy: -134.753 bonds (distance) P-C4' energy: -164.779 flat angles C4'-P-C4' energy: -144.264 flat angles P-C4'-P energy: -88.962 tors. eta vs tors. theta energy: -72.335 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: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -918.314085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.314085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.314085 (E_RNA) where: Base-Base interactions energy: -421.942 where: short stacking energy: -281.104 Base-Backbone interact. energy: -1.373 local terms energy: -494.998668 where: bonds (distance) C4'-P energy: -132.832 bonds (distance) P-C4' energy: -153.480 flat angles C4'-P-C4' energy: -116.022 flat angles P-C4'-P energy: -84.784 tors. eta vs tors. theta energy: -7.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -788.058766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.058766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.058766 (E_RNA) where: Base-Base interactions energy: -335.243 where: short stacking energy: -238.065 Base-Backbone interact. energy: 0.403 local terms energy: -453.218984 where: bonds (distance) C4'-P energy: -136.579 bonds (distance) P-C4' energy: -124.339 flat angles C4'-P-C4' energy: -124.736 flat angles P-C4'-P energy: -69.294 tors. eta vs tors. theta energy: 1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3000.969499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.969499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.969499 (E_RNA) where: Base-Base interactions energy: -2031.826 where: short stacking energy: -872.779 Base-Backbone interact. energy: 0.747 local terms energy: -969.889738 where: bonds (distance) C4'-P energy: -182.264 bonds (distance) P-C4' energy: -186.576 flat angles C4'-P-C4' energy: -193.406 flat angles P-C4'-P energy: -127.567 tors. eta vs tors. theta energy: -280.077 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: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2844.982162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.982162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.982162 (E_RNA) where: Base-Base interactions energy: -1902.858 where: short stacking energy: -859.758 Base-Backbone interact. energy: -2.831 local terms energy: -939.293121 where: bonds (distance) C4'-P energy: -171.694 bonds (distance) P-C4' energy: -172.384 flat angles C4'-P-C4' energy: -196.356 flat angles P-C4'-P energy: -131.561 tors. eta vs tors. theta energy: -267.298 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: 3, replica: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2636.688925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.688925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.688925 (E_RNA) where: Base-Base interactions energy: -1804.076 where: short stacking energy: -790.746 Base-Backbone interact. energy: -3.090 local terms energy: -829.522960 where: bonds (distance) C4'-P energy: -165.058 bonds (distance) P-C4' energy: -182.536 flat angles C4'-P-C4' energy: -174.731 flat angles P-C4'-P energy: -102.726 tors. eta vs tors. theta energy: -204.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2484.701117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.701117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.701117 (E_RNA) where: Base-Base interactions energy: -1664.989 where: short stacking energy: -720.716 Base-Backbone interact. energy: -2.329 local terms energy: -817.382902 where: bonds (distance) C4'-P energy: -168.840 bonds (distance) P-C4' energy: -148.613 flat angles C4'-P-C4' energy: -186.357 flat angles P-C4'-P energy: -122.162 tors. eta vs tors. theta energy: -191.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2168.723754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.723754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.723754 (E_RNA) where: Base-Base interactions energy: -1374.306 where: short stacking energy: -640.867 Base-Backbone interact. energy: -2.237 local terms energy: -792.179940 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -184.294 flat angles C4'-P-C4' energy: -186.116 flat angles P-C4'-P energy: -114.946 tors. eta vs tors. theta energy: -162.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1864.788470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.788470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.788470 (E_RNA) where: Base-Base interactions energy: -1148.973 where: short stacking energy: -527.786 Base-Backbone interact. energy: 7.913 local terms energy: -723.728427 where: bonds (distance) C4'-P energy: -144.135 bonds (distance) P-C4' energy: -175.627 flat angles C4'-P-C4' energy: -173.654 flat angles P-C4'-P energy: -105.337 tors. eta vs tors. theta energy: -124.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1586.910001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.910001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.910001 (E_RNA) where: Base-Base interactions energy: -960.380 where: short stacking energy: -474.378 Base-Backbone interact. energy: 1.995 local terms energy: -628.525801 where: bonds (distance) C4'-P energy: -148.927 bonds (distance) P-C4' energy: -148.127 flat angles C4'-P-C4' energy: -162.578 flat angles P-C4'-P energy: -82.047 tors. eta vs tors. theta energy: -86.848 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: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1387.682071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.682071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.682071 (E_RNA) where: Base-Base interactions energy: -809.649 where: short stacking energy: -398.031 Base-Backbone interact. energy: 1.390 local terms energy: -579.422511 where: bonds (distance) C4'-P energy: -122.405 bonds (distance) P-C4' energy: -167.722 flat angles C4'-P-C4' energy: -139.788 flat angles P-C4'-P energy: -94.919 tors. eta vs tors. theta energy: -54.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -976.853969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.853969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.853969 (E_RNA) where: Base-Base interactions energy: -495.487 where: short stacking energy: -277.816 Base-Backbone interact. energy: 7.830 local terms energy: -489.196895 where: bonds (distance) C4'-P energy: -138.422 bonds (distance) P-C4' energy: -137.523 flat angles C4'-P-C4' energy: -143.887 flat angles P-C4'-P energy: -67.152 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -774.395862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.395862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.395862 (E_RNA) where: Base-Base interactions energy: -319.812 where: short stacking energy: -212.111 Base-Backbone interact. energy: -2.811 local terms energy: -451.772637 where: bonds (distance) C4'-P energy: -137.673 bonds (distance) P-C4' energy: -134.735 flat angles C4'-P-C4' energy: -122.408 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: 21.403 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: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3007.163257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.163257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.163257 (E_RNA) where: Base-Base interactions energy: -2042.981 where: short stacking energy: -934.550 Base-Backbone interact. energy: -3.880 local terms energy: -960.301895 where: bonds (distance) C4'-P energy: -181.269 bonds (distance) P-C4' energy: -179.874 flat angles C4'-P-C4' energy: -205.938 flat angles P-C4'-P energy: -126.791 tors. eta vs tors. theta energy: -266.430 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: 2, replica: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2833.025445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.025445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.025445 (E_RNA) where: Base-Base interactions energy: -1897.742 where: short stacking energy: -874.049 Base-Backbone interact. energy: 3.704 local terms energy: -938.987020 where: bonds (distance) C4'-P energy: -192.509 bonds (distance) P-C4' energy: -161.754 flat angles C4'-P-C4' energy: -192.132 flat angles P-C4'-P energy: -128.852 tors. eta vs tors. theta energy: -263.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2607.316907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.316907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.316907 (E_RNA) where: Base-Base interactions energy: -1762.064 where: short stacking energy: -767.357 Base-Backbone interact. energy: 0.866 local terms energy: -846.118857 where: bonds (distance) C4'-P energy: -171.275 bonds (distance) P-C4' energy: -168.866 flat angles C4'-P-C4' energy: -194.881 flat angles P-C4'-P energy: -113.791 tors. eta vs tors. theta energy: -197.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2467.064758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.064758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.064758 (E_RNA) where: Base-Base interactions energy: -1642.812 where: short stacking energy: -722.782 Base-Backbone interact. energy: -2.867 local terms energy: -821.385946 where: bonds (distance) C4'-P energy: -146.242 bonds (distance) P-C4' energy: -152.138 flat angles C4'-P-C4' energy: -196.277 flat angles P-C4'-P energy: -119.045 tors. eta vs tors. theta energy: -207.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2214.429924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.429924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.429924 (E_RNA) where: Base-Base interactions energy: -1384.622 where: short stacking energy: -621.027 Base-Backbone interact. energy: -0.522 local terms energy: -829.286165 where: bonds (distance) C4'-P energy: -174.691 bonds (distance) P-C4' energy: -178.275 flat angles C4'-P-C4' energy: -185.596 flat angles P-C4'-P energy: -122.732 tors. eta vs tors. theta energy: -167.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1848.039615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.039615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.039615 (E_RNA) where: Base-Base interactions energy: -1133.130 where: short stacking energy: -548.976 Base-Backbone interact. energy: -4.400 local terms energy: -710.509525 where: bonds (distance) C4'-P energy: -160.580 bonds (distance) P-C4' energy: -156.365 flat angles C4'-P-C4' energy: -165.579 flat angles P-C4'-P energy: -105.277 tors. eta vs tors. theta energy: -122.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1679.572776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.572776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.572776 (E_RNA) where: Base-Base interactions energy: -1060.591 where: short stacking energy: -473.309 Base-Backbone interact. energy: 8.914 local terms energy: -627.895742 where: bonds (distance) C4'-P energy: -125.731 bonds (distance) P-C4' energy: -156.793 flat angles C4'-P-C4' energy: -158.494 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -87.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1402.679726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.679726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.679726 (E_RNA) where: Base-Base interactions energy: -838.942 where: short stacking energy: -379.485 Base-Backbone interact. energy: -1.186 local terms energy: -562.551763 where: bonds (distance) C4'-P energy: -157.349 bonds (distance) P-C4' energy: -142.126 flat angles C4'-P-C4' energy: -149.976 flat angles P-C4'-P energy: -78.752 tors. eta vs tors. theta energy: -34.349 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: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -897.441677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.441677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.441677 (E_RNA) where: Base-Base interactions energy: -395.262 where: short stacking energy: -246.249 Base-Backbone interact. energy: -2.028 local terms energy: -500.152452 where: bonds (distance) C4'-P energy: -140.713 bonds (distance) P-C4' energy: -154.911 flat angles C4'-P-C4' energy: -139.031 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -4.000 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: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -780.855374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.855374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.855374 (E_RNA) where: Base-Base interactions energy: -333.682 where: short stacking energy: -229.799 Base-Backbone interact. energy: 0.491 local terms energy: -447.664010 where: bonds (distance) C4'-P energy: -138.576 bonds (distance) P-C4' energy: -162.052 flat angles C4'-P-C4' energy: -126.367 flat angles P-C4'-P energy: -35.235 tors. eta vs tors. theta energy: 14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2979.588130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.588130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.588130 (E_RNA) where: Base-Base interactions energy: -1997.453 where: short stacking energy: -910.363 Base-Backbone interact. energy: 2.056 local terms energy: -984.190556 where: bonds (distance) C4'-P energy: -186.178 bonds (distance) P-C4' energy: -165.395 flat angles C4'-P-C4' energy: -221.587 flat angles P-C4'-P energy: -147.883 tors. eta vs tors. theta energy: -263.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2810.983493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.983493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.983493 (E_RNA) where: Base-Base interactions energy: -1864.298 where: short stacking energy: -840.890 Base-Backbone interact. energy: -2.622 local terms energy: -944.064327 where: bonds (distance) C4'-P energy: -172.024 bonds (distance) P-C4' energy: -173.724 flat angles C4'-P-C4' energy: -202.230 flat angles P-C4'-P energy: -138.104 tors. eta vs tors. theta energy: -257.981 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: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2606.000301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.000301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.000301 (E_RNA) where: Base-Base interactions energy: -1735.007 where: short stacking energy: -726.180 Base-Backbone interact. energy: -1.999 local terms energy: -868.994312 where: bonds (distance) C4'-P energy: -172.643 bonds (distance) P-C4' energy: -169.583 flat angles C4'-P-C4' energy: -209.574 flat angles P-C4'-P energy: -130.222 tors. eta vs tors. theta energy: -186.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2471.699331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.699331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.699331 (E_RNA) where: Base-Base interactions energy: -1643.351 where: short stacking energy: -705.401 Base-Backbone interact. energy: 3.123 local terms energy: -831.471320 where: bonds (distance) C4'-P energy: -180.049 bonds (distance) P-C4' energy: -165.420 flat angles C4'-P-C4' energy: -171.526 flat angles P-C4'-P energy: -132.923 tors. eta vs tors. theta energy: -181.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2243.916947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.916947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.916947 (E_RNA) where: Base-Base interactions energy: -1435.549 where: short stacking energy: -674.730 Base-Backbone interact. energy: -1.319 local terms energy: -807.049402 where: bonds (distance) C4'-P energy: -146.768 bonds (distance) P-C4' energy: -167.315 flat angles C4'-P-C4' energy: -194.262 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -196.672 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: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1869.514217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.514217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.514217 (E_RNA) where: Base-Base interactions energy: -1169.553 where: short stacking energy: -560.439 Base-Backbone interact. energy: -1.604 local terms energy: -698.357531 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -169.192 flat angles C4'-P-C4' energy: -160.108 flat angles P-C4'-P energy: -93.724 tors. eta vs tors. theta energy: -131.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1617.151723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.151723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.151723 (E_RNA) where: Base-Base interactions energy: -978.312 where: short stacking energy: -476.516 Base-Backbone interact. energy: 2.297 local terms energy: -641.136041 where: bonds (distance) C4'-P energy: -137.831 bonds (distance) P-C4' energy: -132.456 flat angles C4'-P-C4' energy: -175.611 flat angles P-C4'-P energy: -114.458 tors. eta vs tors. theta energy: -80.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1321.297639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.297639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.297639 (E_RNA) where: Base-Base interactions energy: -751.338 where: short stacking energy: -391.822 Base-Backbone interact. energy: 3.285 local terms energy: -573.244790 where: bonds (distance) C4'-P energy: -145.467 bonds (distance) P-C4' energy: -168.824 flat angles C4'-P-C4' energy: -114.562 flat angles P-C4'-P energy: -85.764 tors. eta vs tors. theta energy: -58.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -896.018211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.018211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.018211 (E_RNA) where: Base-Base interactions energy: -414.872 where: short stacking energy: -235.516 Base-Backbone interact. energy: 4.594 local terms energy: -485.739740 where: bonds (distance) C4'-P energy: -150.872 bonds (distance) P-C4' energy: -133.298 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -68.037 tors. eta vs tors. theta energy: 8.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -807.390071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.390071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.390071 (E_RNA) where: Base-Base interactions energy: -340.021 where: short stacking energy: -208.228 Base-Backbone interact. energy: -3.085 local terms energy: -464.284140 where: bonds (distance) C4'-P energy: -145.201 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -138.895 flat angles P-C4'-P energy: -62.106 tors. eta vs tors. theta energy: 33.183 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: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2978.033085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.033085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.033085 (E_RNA) where: Base-Base interactions energy: -2009.406 where: short stacking energy: -907.884 Base-Backbone interact. energy: -2.545 local terms energy: -966.082248 where: bonds (distance) C4'-P energy: -180.963 bonds (distance) P-C4' energy: -174.810 flat angles C4'-P-C4' energy: -219.080 flat angles P-C4'-P energy: -123.322 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: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2812.116033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.116033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.116033 (E_RNA) where: Base-Base interactions energy: -1891.545 where: short stacking energy: -865.496 Base-Backbone interact. energy: 0.243 local terms energy: -920.813842 where: bonds (distance) C4'-P energy: -160.260 bonds (distance) P-C4' energy: -174.983 flat angles C4'-P-C4' energy: -198.404 flat angles P-C4'-P energy: -130.879 tors. eta vs tors. theta energy: -256.287 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: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2579.114392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.114392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.114392 (E_RNA) where: Base-Base interactions energy: -1747.026 where: short stacking energy: -726.482 Base-Backbone interact. energy: -4.226 local terms energy: -827.862554 where: bonds (distance) C4'-P energy: -176.405 bonds (distance) P-C4' energy: -161.273 flat angles C4'-P-C4' energy: -175.694 flat angles P-C4'-P energy: -112.670 tors. eta vs tors. theta energy: -201.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2463.437349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.437349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.437349 (E_RNA) where: Base-Base interactions energy: -1670.818 where: short stacking energy: -715.791 Base-Backbone interact. energy: 2.324 local terms energy: -794.943492 where: bonds (distance) C4'-P energy: -166.731 bonds (distance) P-C4' energy: -157.247 flat angles C4'-P-C4' energy: -181.374 flat angles P-C4'-P energy: -114.682 tors. eta vs tors. theta energy: -174.910 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: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2232.052477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.052477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.052477 (E_RNA) where: Base-Base interactions energy: -1418.780 where: short stacking energy: -668.170 Base-Backbone interact. energy: 0.233 local terms energy: -813.505528 where: bonds (distance) C4'-P energy: -173.025 bonds (distance) P-C4' energy: -174.530 flat angles C4'-P-C4' energy: -172.095 flat angles P-C4'-P energy: -113.673 tors. eta vs tors. theta energy: -180.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1813.410824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.410824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.410824 (E_RNA) where: Base-Base interactions energy: -1122.935 where: short stacking energy: -534.532 Base-Backbone interact. energy: 1.274 local terms energy: -691.749897 where: bonds (distance) C4'-P energy: -161.316 bonds (distance) P-C4' energy: -143.532 flat angles C4'-P-C4' energy: -182.819 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: -120.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1577.936458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.936458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.936458 (E_RNA) where: Base-Base interactions energy: -949.797 where: short stacking energy: -442.743 Base-Backbone interact. energy: -1.096 local terms energy: -627.043185 where: bonds (distance) C4'-P energy: -156.523 bonds (distance) P-C4' energy: -137.425 flat angles C4'-P-C4' energy: -144.968 flat angles P-C4'-P energy: -108.813 tors. eta vs tors. theta energy: -79.314 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: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1364.720267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.720267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.720267 (E_RNA) where: Base-Base interactions energy: -768.184 where: short stacking energy: -389.627 Base-Backbone interact. energy: 2.825 local terms energy: -599.361301 where: bonds (distance) C4'-P energy: -165.038 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -153.658 flat angles P-C4'-P energy: -79.267 tors. eta vs tors. theta energy: -50.109 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: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -892.300522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.300522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.300522 (E_RNA) where: Base-Base interactions energy: -381.595 where: short stacking energy: -246.963 Base-Backbone interact. energy: -0.761 local terms energy: -509.945202 where: bonds (distance) C4'-P energy: -141.062 bonds (distance) P-C4' energy: -161.559 flat angles C4'-P-C4' energy: -130.460 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -798.086308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.086308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.086308 (E_RNA) where: Base-Base interactions energy: -348.245 where: short stacking energy: -219.124 Base-Backbone interact. energy: 0.530 local terms energy: -450.370788 where: bonds (distance) C4'-P energy: -135.148 bonds (distance) P-C4' energy: -145.248 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: 9.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2968.055018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.055018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.055018 (E_RNA) where: Base-Base interactions energy: -1987.310 where: short stacking energy: -882.538 Base-Backbone interact. energy: 0.150 local terms energy: -980.895542 where: bonds (distance) C4'-P energy: -194.026 bonds (distance) P-C4' energy: -181.793 flat angles C4'-P-C4' energy: -206.399 flat angles P-C4'-P energy: -136.883 tors. eta vs tors. theta energy: -261.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2840.062211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.062211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.062211 (E_RNA) where: Base-Base interactions energy: -1917.112 where: short stacking energy: -869.565 Base-Backbone interact. energy: -4.028 local terms energy: -918.922295 where: bonds (distance) C4'-P energy: -169.710 bonds (distance) P-C4' energy: -170.531 flat angles C4'-P-C4' energy: -204.570 flat angles P-C4'-P energy: -127.683 tors. eta vs tors. theta energy: -246.428 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: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2590.060310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.060310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.060310 (E_RNA) where: Base-Base interactions energy: -1707.786 where: short stacking energy: -761.471 Base-Backbone interact. energy: -9.340 local terms energy: -872.934336 where: bonds (distance) C4'-P energy: -161.861 bonds (distance) P-C4' energy: -185.653 flat angles C4'-P-C4' energy: -189.827 flat angles P-C4'-P energy: -114.746 tors. eta vs tors. theta energy: -220.847 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: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2503.433355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.433355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.433355 (E_RNA) where: Base-Base interactions energy: -1668.567 where: short stacking energy: -722.318 Base-Backbone interact. energy: -0.637 local terms energy: -834.229762 where: bonds (distance) C4'-P energy: -181.328 bonds (distance) P-C4' energy: -181.701 flat angles C4'-P-C4' energy: -161.710 flat angles P-C4'-P energy: -123.739 tors. eta vs tors. theta energy: -185.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2221.393775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.393775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.393775 (E_RNA) where: Base-Base interactions energy: -1408.531 where: short stacking energy: -638.786 Base-Backbone interact. energy: -3.898 local terms energy: -808.964462 where: bonds (distance) C4'-P energy: -174.213 bonds (distance) P-C4' energy: -176.158 flat angles C4'-P-C4' energy: -168.279 flat angles P-C4'-P energy: -117.116 tors. eta vs tors. theta energy: -173.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1917.148321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.148321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.148321 (E_RNA) where: Base-Base interactions energy: -1191.680 where: short stacking energy: -546.642 Base-Backbone interact. energy: -0.242 local terms energy: -725.226317 where: bonds (distance) C4'-P energy: -165.060 bonds (distance) P-C4' energy: -162.984 flat angles C4'-P-C4' energy: -164.281 flat angles P-C4'-P energy: -116.303 tors. eta vs tors. theta energy: -116.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1563.035433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.035433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.035433 (E_RNA) where: Base-Base interactions energy: -905.832 where: short stacking energy: -458.118 Base-Backbone interact. energy: -2.339 local terms energy: -654.863957 where: bonds (distance) C4'-P energy: -161.546 bonds (distance) P-C4' energy: -168.473 flat angles C4'-P-C4' energy: -158.310 flat angles P-C4'-P energy: -84.420 tors. eta vs tors. theta energy: -82.116 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: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1264.604988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.604988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.604988 (E_RNA) where: Base-Base interactions energy: -693.900 where: short stacking energy: -367.776 Base-Backbone interact. energy: 3.241 local terms energy: -573.945456 where: bonds (distance) C4'-P energy: -162.974 bonds (distance) P-C4' energy: -128.689 flat angles C4'-P-C4' energy: -144.121 flat angles P-C4'-P energy: -107.862 tors. eta vs tors. theta energy: -30.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -960.504300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.504300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.504300 (E_RNA) where: Base-Base interactions energy: -415.845 where: short stacking energy: -250.489 Base-Backbone interact. energy: 0.911 local terms energy: -545.570625 where: bonds (distance) C4'-P energy: -145.162 bonds (distance) P-C4' energy: -160.575 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -91.273 tors. eta vs tors. theta energy: -8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -798.169464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.169464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.169464 (E_RNA) where: Base-Base interactions energy: -326.635 where: short stacking energy: -193.057 Base-Backbone interact. energy: 3.814 local terms energy: -475.348766 where: bonds (distance) C4'-P energy: -148.148 bonds (distance) P-C4' energy: -161.215 flat angles C4'-P-C4' energy: -142.821 flat angles P-C4'-P energy: -64.001 tors. eta vs tors. theta energy: 40.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2983.057196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.057196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.057196 (E_RNA) where: Base-Base interactions energy: -2032.442 where: short stacking energy: -908.270 Base-Backbone interact. energy: -0.400 local terms energy: -950.215967 where: bonds (distance) C4'-P energy: -183.892 bonds (distance) P-C4' energy: -180.623 flat angles C4'-P-C4' energy: -194.492 flat angles P-C4'-P energy: -118.654 tors. eta vs tors. theta energy: -272.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2892.259308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.259308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.259308 (E_RNA) where: Base-Base interactions energy: -1946.646 where: short stacking energy: -880.901 Base-Backbone interact. energy: -1.302 local terms energy: -944.311874 where: bonds (distance) C4'-P energy: -169.282 bonds (distance) P-C4' energy: -177.433 flat angles C4'-P-C4' energy: -201.315 flat angles P-C4'-P energy: -140.534 tors. eta vs tors. theta energy: -255.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2621.973842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.973842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.973842 (E_RNA) where: Base-Base interactions energy: -1787.267 where: short stacking energy: -795.803 Base-Backbone interact. energy: 1.177 local terms energy: -835.883153 where: bonds (distance) C4'-P energy: -158.014 bonds (distance) P-C4' energy: -160.068 flat angles C4'-P-C4' energy: -190.362 flat angles P-C4'-P energy: -100.194 tors. eta vs tors. theta energy: -227.244 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: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2421.989270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.989270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.989270 (E_RNA) where: Base-Base interactions energy: -1593.108 where: short stacking energy: -698.826 Base-Backbone interact. energy: -1.513 local terms energy: -827.368523 where: bonds (distance) C4'-P energy: -158.437 bonds (distance) P-C4' energy: -182.645 flat angles C4'-P-C4' energy: -162.164 flat angles P-C4'-P energy: -117.346 tors. eta vs tors. theta energy: -206.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2260.149966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.149966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.149966 (E_RNA) where: Base-Base interactions energy: -1427.021 where: short stacking energy: -663.300 Base-Backbone interact. energy: -1.349 local terms energy: -831.779773 where: bonds (distance) C4'-P energy: -174.257 bonds (distance) P-C4' energy: -163.200 flat angles C4'-P-C4' energy: -186.461 flat angles P-C4'-P energy: -131.197 tors. eta vs tors. theta energy: -176.664 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: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1887.700457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.700457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.700457 (E_RNA) where: Base-Base interactions energy: -1182.439 where: short stacking energy: -535.781 Base-Backbone interact. energy: 3.119 local terms energy: -708.380560 where: bonds (distance) C4'-P energy: -174.877 bonds (distance) P-C4' energy: -168.353 flat angles C4'-P-C4' energy: -162.105 flat angles P-C4'-P energy: -95.058 tors. eta vs tors. theta energy: -107.988 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: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1582.778436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.778436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.778436 (E_RNA) where: Base-Base interactions energy: -955.378 where: short stacking energy: -459.107 Base-Backbone interact. energy: 1.529 local terms energy: -628.929459 where: bonds (distance) C4'-P energy: -146.211 bonds (distance) P-C4' energy: -147.876 flat angles C4'-P-C4' energy: -147.445 flat angles P-C4'-P energy: -99.741 tors. eta vs tors. theta energy: -87.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1317.730768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.730768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.730768 (E_RNA) where: Base-Base interactions energy: -736.430 where: short stacking energy: -376.173 Base-Backbone interact. energy: -0.837 local terms energy: -580.463849 where: bonds (distance) C4'-P energy: -163.878 bonds (distance) P-C4' energy: -141.283 flat angles C4'-P-C4' energy: -149.159 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -52.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -918.756985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.756985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.756985 (E_RNA) where: Base-Base interactions energy: -440.098 where: short stacking energy: -281.150 Base-Backbone interact. energy: 2.857 local terms energy: -481.516248 where: bonds (distance) C4'-P energy: -141.792 bonds (distance) P-C4' energy: -135.103 flat angles C4'-P-C4' energy: -145.292 flat angles P-C4'-P energy: -50.246 tors. eta vs tors. theta energy: -9.084 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: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -750.445507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.445507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.445507 (E_RNA) where: Base-Base interactions energy: -263.625 where: short stacking energy: -178.014 Base-Backbone interact. energy: 1.146 local terms energy: -487.966297 where: bonds (distance) C4'-P energy: -153.339 bonds (distance) P-C4' energy: -146.250 flat angles C4'-P-C4' energy: -130.025 flat angles P-C4'-P energy: -92.800 tors. eta vs tors. theta energy: 34.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2962.748297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.748297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.748297 (E_RNA) where: Base-Base interactions energy: -1996.387 where: short stacking energy: -902.088 Base-Backbone interact. energy: -2.577 local terms energy: -963.783962 where: bonds (distance) C4'-P energy: -204.143 bonds (distance) P-C4' energy: -181.082 flat angles C4'-P-C4' energy: -192.457 flat angles P-C4'-P energy: -131.575 tors. eta vs tors. theta energy: -254.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2824.282585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.282585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.282585 (E_RNA) where: Base-Base interactions energy: -1899.549 where: short stacking energy: -864.140 Base-Backbone interact. energy: 1.275 local terms energy: -926.009193 where: bonds (distance) C4'-P energy: -173.783 bonds (distance) P-C4' energy: -179.510 flat angles C4'-P-C4' energy: -197.995 flat angles P-C4'-P energy: -124.564 tors. eta vs tors. theta energy: -250.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2627.384674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.384674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.384674 (E_RNA) where: Base-Base interactions energy: -1742.972 where: short stacking energy: -770.390 Base-Backbone interact. energy: -0.547 local terms energy: -883.865923 where: bonds (distance) C4'-P energy: -169.864 bonds (distance) P-C4' energy: -170.655 flat angles C4'-P-C4' energy: -194.345 flat angles P-C4'-P energy: -127.080 tors. eta vs tors. theta energy: -221.923 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: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2542.664956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.664956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.664956 (E_RNA) where: Base-Base interactions energy: -1688.426 where: short stacking energy: -764.935 Base-Backbone interact. energy: -4.557 local terms energy: -849.681612 where: bonds (distance) C4'-P energy: -168.318 bonds (distance) P-C4' energy: -173.648 flat angles C4'-P-C4' energy: -177.819 flat angles P-C4'-P energy: -117.945 tors. eta vs tors. theta energy: -211.951 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: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2179.859006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.859006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.859006 (E_RNA) where: Base-Base interactions energy: -1382.273 where: short stacking energy: -663.743 Base-Backbone interact. energy: -2.630 local terms energy: -794.956357 where: bonds (distance) C4'-P energy: -153.930 bonds (distance) P-C4' energy: -161.613 flat angles C4'-P-C4' energy: -192.332 flat angles P-C4'-P energy: -120.483 tors. eta vs tors. theta energy: -166.598 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: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1797.988112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.988112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.988112 (E_RNA) where: Base-Base interactions energy: -1124.526 where: short stacking energy: -514.300 Base-Backbone interact. energy: -3.235 local terms energy: -670.227370 where: bonds (distance) C4'-P energy: -155.184 bonds (distance) P-C4' energy: -152.710 flat angles C4'-P-C4' energy: -160.668 flat angles P-C4'-P energy: -107.224 tors. eta vs tors. theta energy: -94.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1584.937838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.937838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.937838 (E_RNA) where: Base-Base interactions energy: -956.167 where: short stacking energy: -489.675 Base-Backbone interact. energy: -3.010 local terms energy: -625.760773 where: bonds (distance) C4'-P energy: -151.486 bonds (distance) P-C4' energy: -156.216 flat angles C4'-P-C4' energy: -159.300 flat angles P-C4'-P energy: -77.833 tors. eta vs tors. theta energy: -80.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1375.471604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.471604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.471604 (E_RNA) where: Base-Base interactions energy: -778.348 where: short stacking energy: -374.527 Base-Backbone interact. energy: -3.948 local terms energy: -593.176266 where: bonds (distance) C4'-P energy: -146.315 bonds (distance) P-C4' energy: -151.577 flat angles C4'-P-C4' energy: -149.216 flat angles P-C4'-P energy: -97.448 tors. eta vs tors. theta energy: -48.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -880.298700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.298700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.298700 (E_RNA) where: Base-Base interactions energy: -381.977 where: short stacking energy: -246.206 Base-Backbone interact. energy: 0.823 local terms energy: -499.145074 where: bonds (distance) C4'-P energy: -164.355 bonds (distance) P-C4' energy: -168.659 flat angles C4'-P-C4' energy: -124.978 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: 12.887 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: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -779.113710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.113710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.113710 (E_RNA) where: Base-Base interactions energy: -302.930 where: short stacking energy: -201.130 Base-Backbone interact. energy: -2.394 local terms energy: -473.789359 where: bonds (distance) C4'-P energy: -138.664 bonds (distance) P-C4' energy: -151.467 flat angles C4'-P-C4' energy: -135.037 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: 31.828 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: 139 Temperature: 0.900000 Total energy: -2940.839452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.839452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.839452 (E_RNA) where: Base-Base interactions energy: -1996.174 where: short stacking energy: -904.242 Base-Backbone interact. energy: -0.381 local terms energy: -944.284414 where: bonds (distance) C4'-P energy: -161.478 bonds (distance) P-C4' energy: -177.845 flat angles C4'-P-C4' energy: -201.811 flat angles P-C4'-P energy: -131.463 tors. eta vs tors. theta energy: -271.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2840.353270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.353270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.353270 (E_RNA) where: Base-Base interactions energy: -1883.377 where: short stacking energy: -858.178 Base-Backbone interact. energy: -1.363 local terms energy: -955.613129 where: bonds (distance) C4'-P energy: -185.772 bonds (distance) P-C4' energy: -176.623 flat angles C4'-P-C4' energy: -203.197 flat angles P-C4'-P energy: -135.547 tors. eta vs tors. theta energy: -254.474 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: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2637.451108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.451108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.451108 (E_RNA) where: Base-Base interactions energy: -1760.716 where: short stacking energy: -769.671 Base-Backbone interact. energy: -1.320 local terms energy: -875.415788 where: bonds (distance) C4'-P energy: -163.841 bonds (distance) P-C4' energy: -168.358 flat angles C4'-P-C4' energy: -193.504 flat angles P-C4'-P energy: -115.100 tors. eta vs tors. theta energy: -234.613 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: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2515.832551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.832551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.832551 (E_RNA) where: Base-Base interactions energy: -1681.364 where: short stacking energy: -749.119 Base-Backbone interact. energy: -3.982 local terms energy: -830.486500 where: bonds (distance) C4'-P energy: -167.508 bonds (distance) P-C4' energy: -175.019 flat angles C4'-P-C4' energy: -181.084 flat angles P-C4'-P energy: -105.765 tors. eta vs tors. theta energy: -201.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2269.400509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.400509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.400509 (E_RNA) where: Base-Base interactions energy: -1493.238 where: short stacking energy: -675.128 Base-Backbone interact. energy: -4.152 local terms energy: -772.011026 where: bonds (distance) C4'-P energy: -166.615 bonds (distance) P-C4' energy: -163.196 flat angles C4'-P-C4' energy: -174.559 flat angles P-C4'-P energy: -96.566 tors. eta vs tors. theta energy: -171.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1873.569355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.569355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.569355 (E_RNA) where: Base-Base interactions energy: -1185.333 where: short stacking energy: -504.375 Base-Backbone interact. energy: -1.278 local terms energy: -686.958206 where: bonds (distance) C4'-P energy: -155.332 bonds (distance) P-C4' energy: -174.220 flat angles C4'-P-C4' energy: -139.706 flat angles P-C4'-P energy: -118.318 tors. eta vs tors. theta energy: -99.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1595.826895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.826895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.826895 (E_RNA) where: Base-Base interactions energy: -974.416 where: short stacking energy: -442.429 Base-Backbone interact. energy: -2.440 local terms energy: -618.971080 where: bonds (distance) C4'-P energy: -150.434 bonds (distance) P-C4' energy: -147.319 flat angles C4'-P-C4' energy: -153.834 flat angles P-C4'-P energy: -81.033 tors. eta vs tors. theta energy: -86.351 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: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1340.782541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.782541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.782541 (E_RNA) where: Base-Base interactions energy: -757.786 where: short stacking energy: -396.363 Base-Backbone interact. energy: 0.643 local terms energy: -583.639050 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -131.659 flat angles C4'-P-C4' energy: -137.911 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -82.267 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: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -995.797180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.797180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.797180 (E_RNA) where: Base-Base interactions energy: -486.403 where: short stacking energy: -272.427 Base-Backbone interact. energy: 7.965 local terms energy: -517.359591 where: bonds (distance) C4'-P energy: -146.677 bonds (distance) P-C4' energy: -154.917 flat angles C4'-P-C4' energy: -130.031 flat angles P-C4'-P energy: -76.591 tors. eta vs tors. theta energy: -9.144 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: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -785.821550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.821550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.821550 (E_RNA) where: Base-Base interactions energy: -317.214 where: short stacking energy: -190.843 Base-Backbone interact. energy: 0.527 local terms energy: -469.134376 where: bonds (distance) C4'-P energy: -133.098 bonds (distance) P-C4' energy: -159.575 flat angles C4'-P-C4' energy: -133.747 flat angles P-C4'-P energy: -76.835 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: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2926.714568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.714568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.714568 (E_RNA) where: Base-Base interactions energy: -1974.223 where: short stacking energy: -899.803 Base-Backbone interact. energy: 2.420 local terms energy: -954.911553 where: bonds (distance) C4'-P energy: -179.604 bonds (distance) P-C4' energy: -169.161 flat angles C4'-P-C4' energy: -208.110 flat angles P-C4'-P energy: -128.276 tors. eta vs tors. theta energy: -269.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2794.496976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.496976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.496976 (E_RNA) where: Base-Base interactions energy: -1869.443 where: short stacking energy: -863.282 Base-Backbone interact. energy: -2.581 local terms energy: -922.472597 where: bonds (distance) C4'-P energy: -195.038 bonds (distance) P-C4' energy: -170.659 flat angles C4'-P-C4' energy: -200.175 flat angles P-C4'-P energy: -119.667 tors. eta vs tors. theta energy: -236.934 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: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2616.679226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.679226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.679226 (E_RNA) where: Base-Base interactions energy: -1743.278 where: short stacking energy: -802.072 Base-Backbone interact. energy: 2.002 local terms energy: -875.402994 where: bonds (distance) C4'-P energy: -169.664 bonds (distance) P-C4' energy: -170.966 flat angles C4'-P-C4' energy: -184.132 flat angles P-C4'-P energy: -123.530 tors. eta vs tors. theta energy: -227.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2471.191389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.191389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.191389 (E_RNA) where: Base-Base interactions energy: -1657.158 where: short stacking energy: -743.866 Base-Backbone interact. energy: 1.607 local terms energy: -815.640715 where: bonds (distance) C4'-P energy: -150.049 bonds (distance) P-C4' energy: -163.806 flat angles C4'-P-C4' energy: -181.529 flat angles P-C4'-P energy: -125.185 tors. eta vs tors. theta energy: -195.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2290.800115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.800115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.800115 (E_RNA) where: Base-Base interactions energy: -1472.588 where: short stacking energy: -676.933 Base-Backbone interact. energy: -5.771 local terms energy: -812.441709 where: bonds (distance) C4'-P energy: -153.884 bonds (distance) P-C4' energy: -177.139 flat angles C4'-P-C4' energy: -176.035 flat angles P-C4'-P energy: -112.486 tors. eta vs tors. theta energy: -192.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1855.179703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.179703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.179703 (E_RNA) where: Base-Base interactions energy: -1165.667 where: short stacking energy: -480.874 Base-Backbone interact. energy: 0.247 local terms energy: -689.758868 where: bonds (distance) C4'-P energy: -157.663 bonds (distance) P-C4' energy: -162.228 flat angles C4'-P-C4' energy: -169.842 flat angles P-C4'-P energy: -93.171 tors. eta vs tors. theta energy: -106.855 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: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1561.660242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.660242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.660242 (E_RNA) where: Base-Base interactions energy: -918.173 where: short stacking energy: -404.799 Base-Backbone interact. energy: 6.451 local terms energy: -649.938494 where: bonds (distance) C4'-P energy: -144.389 bonds (distance) P-C4' energy: -177.623 flat angles C4'-P-C4' energy: -171.461 flat angles P-C4'-P energy: -90.439 tors. eta vs tors. theta energy: -66.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1355.618661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.618661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.618661 (E_RNA) where: Base-Base interactions energy: -783.663 where: short stacking energy: -410.113 Base-Backbone interact. energy: 4.490 local terms energy: -576.445506 where: bonds (distance) C4'-P energy: -149.900 bonds (distance) P-C4' energy: -154.486 flat angles C4'-P-C4' energy: -149.250 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -68.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -880.016834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.016834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.016834 (E_RNA) where: Base-Base interactions energy: -377.513 where: short stacking energy: -266.085 Base-Backbone interact. energy: 0.918 local terms energy: -503.421865 where: bonds (distance) C4'-P energy: -132.971 bonds (distance) P-C4' energy: -145.437 flat angles C4'-P-C4' energy: -137.718 flat angles P-C4'-P energy: -87.747 tors. eta vs tors. theta energy: 0.451 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: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -855.019373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.019373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.019373 (E_RNA) where: Base-Base interactions energy: -341.278 where: short stacking energy: -181.857 Base-Backbone interact. energy: 1.513 local terms energy: -515.254012 where: bonds (distance) C4'-P energy: -164.306 bonds (distance) P-C4' energy: -159.343 flat angles C4'-P-C4' energy: -121.980 flat angles P-C4'-P energy: -84.897 tors. eta vs tors. theta energy: 15.273 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: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2977.292728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.292728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.292728 (E_RNA) where: Base-Base interactions energy: -1973.496 where: short stacking energy: -898.088 Base-Backbone interact. energy: -0.300 local terms energy: -1003.496555 where: bonds (distance) C4'-P energy: -173.461 bonds (distance) P-C4' energy: -200.302 flat angles C4'-P-C4' energy: -211.736 flat angles P-C4'-P energy: -135.150 tors. eta vs tors. theta energy: -282.847 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: 141 Temperature: 0.950000 Total energy: -2779.981630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.981630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.981630 (E_RNA) where: Base-Base interactions energy: -1839.838 where: short stacking energy: -848.199 Base-Backbone interact. energy: -1.310 local terms energy: -938.833831 where: bonds (distance) C4'-P energy: -187.521 bonds (distance) P-C4' energy: -174.627 flat angles C4'-P-C4' energy: -193.738 flat angles P-C4'-P energy: -128.161 tors. eta vs tors. theta energy: -254.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2609.250006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.250006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.250006 (E_RNA) where: Base-Base interactions energy: -1755.176 where: short stacking energy: -776.229 Base-Backbone interact. energy: 3.605 local terms energy: -857.678890 where: bonds (distance) C4'-P energy: -159.175 bonds (distance) P-C4' energy: -183.474 flat angles C4'-P-C4' energy: -186.120 flat angles P-C4'-P energy: -115.229 tors. eta vs tors. theta energy: -213.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2505.792492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.792492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.792492 (E_RNA) where: Base-Base interactions energy: -1640.133 where: short stacking energy: -723.338 Base-Backbone interact. energy: -0.893 local terms energy: -864.765824 where: bonds (distance) C4'-P energy: -176.624 bonds (distance) P-C4' energy: -180.953 flat angles C4'-P-C4' energy: -183.485 flat angles P-C4'-P energy: -132.041 tors. eta vs tors. theta energy: -191.663 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: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2345.710264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.710264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.710264 (E_RNA) where: Base-Base interactions energy: -1541.795 where: short stacking energy: -681.684 Base-Backbone interact. energy: 1.365 local terms energy: -805.280834 where: bonds (distance) C4'-P energy: -159.076 bonds (distance) P-C4' energy: -147.829 flat angles C4'-P-C4' energy: -187.759 flat angles P-C4'-P energy: -123.308 tors. eta vs tors. theta energy: -187.308 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: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1901.619152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.619152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.619152 (E_RNA) where: Base-Base interactions energy: -1196.800 where: short stacking energy: -523.074 Base-Backbone interact. energy: 1.222 local terms energy: -706.041265 where: bonds (distance) C4'-P energy: -144.386 bonds (distance) P-C4' energy: -165.137 flat angles C4'-P-C4' energy: -175.888 flat angles P-C4'-P energy: -110.595 tors. eta vs tors. theta energy: -110.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1573.309403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.309403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.309403 (E_RNA) where: Base-Base interactions energy: -925.986 where: short stacking energy: -435.498 Base-Backbone interact. energy: -1.900 local terms energy: -645.423384 where: bonds (distance) C4'-P energy: -143.049 bonds (distance) P-C4' energy: -165.793 flat angles C4'-P-C4' energy: -151.705 flat angles P-C4'-P energy: -93.050 tors. eta vs tors. theta energy: -91.826 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: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1355.506387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.506387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.506387 (E_RNA) where: Base-Base interactions energy: -755.143 where: short stacking energy: -393.923 Base-Backbone interact. energy: -0.031 local terms energy: -600.332658 where: bonds (distance) C4'-P energy: -152.934 bonds (distance) P-C4' energy: -160.177 flat angles C4'-P-C4' energy: -145.052 flat angles P-C4'-P energy: -84.374 tors. eta vs tors. theta energy: -57.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -908.485090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.485090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.485090 (E_RNA) where: Base-Base interactions energy: -420.958 where: short stacking energy: -244.191 Base-Backbone interact. energy: -0.068 local terms energy: -487.459063 where: bonds (distance) C4'-P energy: -144.416 bonds (distance) P-C4' energy: -169.632 flat angles C4'-P-C4' energy: -112.534 flat angles P-C4'-P energy: -77.772 tors. eta vs tors. theta energy: 16.895 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: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -792.061212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.061212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.061212 (E_RNA) where: Base-Base interactions energy: -322.137 where: short stacking energy: -234.603 Base-Backbone interact. energy: 3.132 local terms energy: -473.055667 where: bonds (distance) C4'-P energy: -140.659 bonds (distance) P-C4' energy: -146.903 flat angles C4'-P-C4' energy: -122.483 flat angles P-C4'-P energy: -73.660 tors. eta vs tors. theta energy: 10.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2985.176502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.176502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.176502 (E_RNA) where: Base-Base interactions energy: -2003.437 where: short stacking energy: -905.124 Base-Backbone interact. energy: 2.799 local terms energy: -984.538465 where: bonds (distance) C4'-P energy: -190.804 bonds (distance) P-C4' energy: -176.525 flat angles C4'-P-C4' energy: -200.190 flat angles P-C4'-P energy: -137.743 tors. eta vs tors. theta energy: -279.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2840.912202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.912202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.912202 (E_RNA) where: Base-Base interactions energy: -1895.676 where: short stacking energy: -872.745 Base-Backbone interact. energy: -2.348 local terms energy: -942.887987 where: bonds (distance) C4'-P energy: -179.162 bonds (distance) P-C4' energy: -179.106 flat angles C4'-P-C4' energy: -199.133 flat angles P-C4'-P energy: -124.569 tors. eta vs tors. theta energy: -260.917 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: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2580.851622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.851622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.851622 (E_RNA) where: Base-Base interactions energy: -1718.499 where: short stacking energy: -736.991 Base-Backbone interact. energy: 6.402 local terms energy: -868.754205 where: bonds (distance) C4'-P energy: -184.977 bonds (distance) P-C4' energy: -173.824 flat angles C4'-P-C4' energy: -177.805 flat angles P-C4'-P energy: -105.336 tors. eta vs tors. theta energy: -226.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2493.618949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.618949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.618949 (E_RNA) where: Base-Base interactions energy: -1664.614 where: short stacking energy: -721.421 Base-Backbone interact. energy: -2.768 local terms energy: -826.236108 where: bonds (distance) C4'-P energy: -158.581 bonds (distance) P-C4' energy: -155.109 flat angles C4'-P-C4' energy: -188.496 flat angles P-C4'-P energy: -122.309 tors. eta vs tors. theta energy: -201.740 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: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2287.312889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.312889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.312889 (E_RNA) where: Base-Base interactions energy: -1487.827 where: short stacking energy: -665.644 Base-Backbone interact. energy: -4.250 local terms energy: -795.236020 where: bonds (distance) C4'-P energy: -158.035 bonds (distance) P-C4' energy: -166.054 flat angles C4'-P-C4' energy: -196.644 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: -183.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1890.937863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.937863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.937863 (E_RNA) where: Base-Base interactions energy: -1191.539 where: short stacking energy: -540.542 Base-Backbone interact. energy: -4.775 local terms energy: -694.624293 where: bonds (distance) C4'-P energy: -153.017 bonds (distance) P-C4' energy: -147.887 flat angles C4'-P-C4' energy: -158.753 flat angles P-C4'-P energy: -112.767 tors. eta vs tors. theta energy: -122.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1621.232607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.232607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.232607 (E_RNA) where: Base-Base interactions energy: -992.085 where: short stacking energy: -450.438 Base-Backbone interact. energy: -3.526 local terms energy: -625.621615 where: bonds (distance) C4'-P energy: -160.084 bonds (distance) P-C4' energy: -157.962 flat angles C4'-P-C4' energy: -128.777 flat angles P-C4'-P energy: -77.353 tors. eta vs tors. theta energy: -101.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1278.075319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.075319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.075319 (E_RNA) where: Base-Base interactions energy: -721.150 where: short stacking energy: -340.453 Base-Backbone interact. energy: -0.361 local terms energy: -556.564200 where: bonds (distance) C4'-P energy: -147.683 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -154.516 flat angles P-C4'-P energy: -97.806 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -946.201567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.201567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.201567 (E_RNA) where: Base-Base interactions energy: -475.113 where: short stacking energy: -270.454 Base-Backbone interact. energy: 2.075 local terms energy: -473.164455 where: bonds (distance) C4'-P energy: -133.764 bonds (distance) P-C4' energy: -152.362 flat angles C4'-P-C4' energy: -125.975 flat angles P-C4'-P energy: -60.568 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -760.978830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.978830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.978830 (E_RNA) where: Base-Base interactions energy: -342.352 where: short stacking energy: -214.309 Base-Backbone interact. energy: -4.711 local terms energy: -413.915820 where: bonds (distance) C4'-P energy: -123.308 bonds (distance) P-C4' energy: -147.348 flat angles C4'-P-C4' energy: -129.924 flat angles P-C4'-P energy: -45.377 tors. eta vs tors. theta energy: 32.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2952.289483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.289483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.289483 (E_RNA) where: Base-Base interactions energy: -1987.658 where: short stacking energy: -883.720 Base-Backbone interact. energy: -0.259 local terms energy: -964.372488 where: bonds (distance) C4'-P energy: -170.737 bonds (distance) P-C4' energy: -191.148 flat angles C4'-P-C4' energy: -204.057 flat angles P-C4'-P energy: -140.987 tors. eta vs tors. theta energy: -257.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2838.101962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.101962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.101962 (E_RNA) where: Base-Base interactions energy: -1876.843 where: short stacking energy: -857.670 Base-Backbone interact. energy: -1.545 local terms energy: -959.713924 where: bonds (distance) C4'-P energy: -183.732 bonds (distance) P-C4' energy: -188.245 flat angles C4'-P-C4' energy: -201.371 flat angles P-C4'-P energy: -125.776 tors. eta vs tors. theta energy: -260.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2595.484335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.484335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.484335 (E_RNA) where: Base-Base interactions energy: -1755.720 where: short stacking energy: -781.190 Base-Backbone interact. energy: 0.702 local terms energy: -840.466100 where: bonds (distance) C4'-P energy: -158.714 bonds (distance) P-C4' energy: -161.128 flat angles C4'-P-C4' energy: -188.524 flat angles P-C4'-P energy: -126.361 tors. eta vs tors. theta energy: -205.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2469.013412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.013412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.013412 (E_RNA) where: Base-Base interactions energy: -1632.491 where: short stacking energy: -717.804 Base-Backbone interact. energy: -4.036 local terms energy: -832.486021 where: bonds (distance) C4'-P energy: -177.204 bonds (distance) P-C4' energy: -183.668 flat angles C4'-P-C4' energy: -179.520 flat angles P-C4'-P energy: -95.878 tors. eta vs tors. theta energy: -196.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2315.045373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.045373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.045373 (E_RNA) where: Base-Base interactions energy: -1495.033 where: short stacking energy: -685.255 Base-Backbone interact. energy: 0.426 local terms energy: -820.438562 where: bonds (distance) C4'-P energy: -155.659 bonds (distance) P-C4' energy: -182.681 flat angles C4'-P-C4' energy: -178.636 flat angles P-C4'-P energy: -107.851 tors. eta vs tors. theta energy: -195.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1896.484819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.484819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.484819 (E_RNA) where: Base-Base interactions energy: -1184.536 where: short stacking energy: -518.605 Base-Backbone interact. energy: 0.929 local terms energy: -712.878216 where: bonds (distance) C4'-P energy: -173.694 bonds (distance) P-C4' energy: -159.313 flat angles C4'-P-C4' energy: -172.212 flat angles P-C4'-P energy: -93.200 tors. eta vs tors. theta energy: -114.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1617.695035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.695035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.695035 (E_RNA) where: Base-Base interactions energy: -973.990 where: short stacking energy: -451.664 Base-Backbone interact. energy: -4.772 local terms energy: -638.933380 where: bonds (distance) C4'-P energy: -165.155 bonds (distance) P-C4' energy: -158.860 flat angles C4'-P-C4' energy: -160.056 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -81.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1300.609605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.609605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.609605 (E_RNA) where: Base-Base interactions energy: -742.765 where: short stacking energy: -357.374 Base-Backbone interact. energy: -3.720 local terms energy: -554.123946 where: bonds (distance) C4'-P energy: -148.807 bonds (distance) P-C4' energy: -154.506 flat angles C4'-P-C4' energy: -123.370 flat angles P-C4'-P energy: -96.261 tors. eta vs tors. theta energy: -31.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -930.698948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.698948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.698948 (E_RNA) where: Base-Base interactions energy: -436.388 where: short stacking energy: -249.280 Base-Backbone interact. energy: -0.839 local terms energy: -493.472442 where: bonds (distance) C4'-P energy: -136.155 bonds (distance) P-C4' energy: -143.213 flat angles C4'-P-C4' energy: -130.859 flat angles P-C4'-P energy: -84.492 tors. eta vs tors. theta energy: 1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -810.612694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.612694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.612694 (E_RNA) where: Base-Base interactions energy: -333.927 where: short stacking energy: -240.832 Base-Backbone interact. energy: 3.717 local terms energy: -480.402374 where: bonds (distance) C4'-P energy: -138.754 bonds (distance) P-C4' energy: -160.432 flat angles C4'-P-C4' energy: -127.489 flat angles P-C4'-P energy: -66.536 tors. eta vs tors. theta energy: 12.809 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: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2965.302339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.302339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.302339 (E_RNA) where: Base-Base interactions energy: -1971.950 where: short stacking energy: -874.103 Base-Backbone interact. energy: -0.076 local terms energy: -993.276248 where: bonds (distance) C4'-P energy: -191.066 bonds (distance) P-C4' energy: -187.524 flat angles C4'-P-C4' energy: -213.355 flat angles P-C4'-P energy: -138.959 tors. eta vs tors. theta energy: -262.373 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: 144 Temperature: 0.950000 Total energy: -2832.090690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.090690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.090690 (E_RNA) where: Base-Base interactions energy: -1906.178 where: short stacking energy: -854.877 Base-Backbone interact. energy: -1.960 local terms energy: -923.952967 where: bonds (distance) C4'-P energy: -174.404 bonds (distance) P-C4' energy: -161.324 flat angles C4'-P-C4' energy: -201.349 flat angles P-C4'-P energy: -145.875 tors. eta vs tors. theta energy: -241.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2644.947946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.947946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.947946 (E_RNA) where: Base-Base interactions energy: -1785.485 where: short stacking energy: -773.570 Base-Backbone interact. energy: -3.397 local terms energy: -856.065971 where: bonds (distance) C4'-P energy: -152.464 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -196.719 flat angles P-C4'-P energy: -116.186 tors. eta vs tors. theta energy: -225.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2475.186715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.186715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.186715 (E_RNA) where: Base-Base interactions energy: -1647.817 where: short stacking energy: -749.841 Base-Backbone interact. energy: -3.721 local terms energy: -823.648798 where: bonds (distance) C4'-P energy: -152.014 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -193.233 flat angles P-C4'-P energy: -121.844 tors. eta vs tors. theta energy: -206.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2317.329605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.329605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.329605 (E_RNA) where: Base-Base interactions energy: -1509.045 where: short stacking energy: -694.310 Base-Backbone interact. energy: -0.661 local terms energy: -807.623352 where: bonds (distance) C4'-P energy: -169.941 bonds (distance) P-C4' energy: -158.595 flat angles C4'-P-C4' energy: -179.553 flat angles P-C4'-P energy: -98.302 tors. eta vs tors. theta energy: -201.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1988.876151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.876151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.876151 (E_RNA) where: Base-Base interactions energy: -1293.841 where: short stacking energy: -596.267 Base-Backbone interact. energy: 2.709 local terms energy: -697.744284 where: bonds (distance) C4'-P energy: -155.012 bonds (distance) P-C4' energy: -164.325 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -110.061 tors. eta vs tors. theta energy: -122.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1684.419965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.419965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.419965 (E_RNA) where: Base-Base interactions energy: -1032.536 where: short stacking energy: -462.947 Base-Backbone interact. energy: -3.796 local terms energy: -648.087973 where: bonds (distance) C4'-P energy: -159.521 bonds (distance) P-C4' energy: -153.067 flat angles C4'-P-C4' energy: -162.422 flat angles P-C4'-P energy: -90.874 tors. eta vs tors. theta energy: -82.204 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: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1284.255109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.255109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.255109 (E_RNA) where: Base-Base interactions energy: -687.177 where: short stacking energy: -353.531 Base-Backbone interact. energy: -3.203 local terms energy: -593.875121 where: bonds (distance) C4'-P energy: -150.829 bonds (distance) P-C4' energy: -167.978 flat angles C4'-P-C4' energy: -135.568 flat angles P-C4'-P energy: -101.513 tors. eta vs tors. theta energy: -37.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -932.720011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.720011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.720011 (E_RNA) where: Base-Base interactions energy: -448.914 where: short stacking energy: -261.162 Base-Backbone interact. energy: 2.970 local terms energy: -486.776646 where: bonds (distance) C4'-P energy: -126.571 bonds (distance) P-C4' energy: -156.503 flat angles C4'-P-C4' energy: -116.295 flat angles P-C4'-P energy: -102.501 tors. eta vs tors. theta energy: 15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -852.662657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.662657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.662657 (E_RNA) where: Base-Base interactions energy: -393.138 where: short stacking energy: -228.415 Base-Backbone interact. energy: 0.343 local terms energy: -459.868213 where: bonds (distance) C4'-P energy: -141.151 bonds (distance) P-C4' energy: -142.258 flat angles C4'-P-C4' energy: -123.425 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: 19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2958.333613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.333613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.333613 (E_RNA) where: Base-Base interactions energy: -1976.167 where: short stacking energy: -894.283 Base-Backbone interact. energy: -4.225 local terms energy: -977.940829 where: bonds (distance) C4'-P energy: -179.044 bonds (distance) P-C4' energy: -184.472 flat angles C4'-P-C4' energy: -193.293 flat angles P-C4'-P energy: -144.924 tors. eta vs tors. theta energy: -276.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2818.873793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.873793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.873793 (E_RNA) where: Base-Base interactions energy: -1896.195 where: short stacking energy: -857.948 Base-Backbone interact. energy: -0.700 local terms energy: -921.979400 where: bonds (distance) C4'-P energy: -173.998 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -208.146 flat angles P-C4'-P energy: -126.852 tors. eta vs tors. theta energy: -246.957 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: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2654.699912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.699912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.699912 (E_RNA) where: Base-Base interactions energy: -1766.036 where: short stacking energy: -801.903 Base-Backbone interact. energy: -2.625 local terms energy: -886.038696 where: bonds (distance) C4'-P energy: -184.257 bonds (distance) P-C4' energy: -158.139 flat angles C4'-P-C4' energy: -200.077 flat angles P-C4'-P energy: -117.517 tors. eta vs tors. theta energy: -226.049 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: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2536.151975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.151975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.151975 (E_RNA) where: Base-Base interactions energy: -1734.784 where: short stacking energy: -713.744 Base-Backbone interact. energy: 7.283 local terms energy: -808.650601 where: bonds (distance) C4'-P energy: -153.082 bonds (distance) P-C4' energy: -151.465 flat angles C4'-P-C4' energy: -179.440 flat angles P-C4'-P energy: -121.469 tors. eta vs tors. theta energy: -203.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2311.344017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.344017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.344017 (E_RNA) where: Base-Base interactions energy: -1490.499 where: short stacking energy: -678.255 Base-Backbone interact. energy: -3.248 local terms energy: -817.597369 where: bonds (distance) C4'-P energy: -165.838 bonds (distance) P-C4' energy: -168.131 flat angles C4'-P-C4' energy: -179.182 flat angles P-C4'-P energy: -113.795 tors. eta vs tors. theta energy: -190.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1905.560943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.560943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.560943 (E_RNA) where: Base-Base interactions energy: -1223.037 where: short stacking energy: -526.738 Base-Backbone interact. energy: 0.022 local terms energy: -682.545591 where: bonds (distance) C4'-P energy: -152.355 bonds (distance) P-C4' energy: -149.117 flat angles C4'-P-C4' energy: -168.392 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -112.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1741.334944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.334944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.334944 (E_RNA) where: Base-Base interactions energy: -1050.569 where: short stacking energy: -481.587 Base-Backbone interact. energy: 0.169 local terms energy: -690.934814 where: bonds (distance) C4'-P energy: -165.603 bonds (distance) P-C4' energy: -151.876 flat angles C4'-P-C4' energy: -163.390 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -110.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1358.296768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.296768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.296768 (E_RNA) where: Base-Base interactions energy: -773.945 where: short stacking energy: -367.506 Base-Backbone interact. energy: 3.572 local terms energy: -587.924398 where: bonds (distance) C4'-P energy: -134.107 bonds (distance) P-C4' energy: -166.925 flat angles C4'-P-C4' energy: -153.646 flat angles P-C4'-P energy: -89.509 tors. eta vs tors. theta energy: -43.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -924.750420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.750420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.750420 (E_RNA) where: Base-Base interactions energy: -424.341 where: short stacking energy: -262.348 Base-Backbone interact. energy: 1.626 local terms energy: -502.035677 where: bonds (distance) C4'-P energy: -111.736 bonds (distance) P-C4' energy: -164.461 flat angles C4'-P-C4' energy: -139.700 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: -5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -801.225585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.225585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.225585 (E_RNA) where: Base-Base interactions energy: -369.993 where: short stacking energy: -220.115 Base-Backbone interact. energy: 9.695 local terms energy: -440.927395 where: bonds (distance) C4'-P energy: -154.276 bonds (distance) P-C4' energy: -169.496 flat angles C4'-P-C4' energy: -101.485 flat angles P-C4'-P energy: -47.892 tors. eta vs tors. theta energy: 32.222 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: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2914.992578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.992578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.992578 (E_RNA) where: Base-Base interactions energy: -1963.637 where: short stacking energy: -871.646 Base-Backbone interact. energy: -3.691 local terms energy: -947.665118 where: bonds (distance) C4'-P energy: -175.431 bonds (distance) P-C4' energy: -182.665 flat angles C4'-P-C4' energy: -196.566 flat angles P-C4'-P energy: -126.621 tors. eta vs tors. theta energy: -266.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2834.353217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.353217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.353217 (E_RNA) where: Base-Base interactions energy: -1868.022 where: short stacking energy: -871.282 Base-Backbone interact. energy: -1.338 local terms energy: -964.992798 where: bonds (distance) C4'-P energy: -184.486 bonds (distance) P-C4' energy: -177.408 flat angles C4'-P-C4' energy: -221.174 flat angles P-C4'-P energy: -136.444 tors. eta vs tors. theta energy: -245.480 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: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2624.968348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.968348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.968348 (E_RNA) where: Base-Base interactions energy: -1754.482 where: short stacking energy: -748.999 Base-Backbone interact. energy: -0.320 local terms energy: -870.166753 where: bonds (distance) C4'-P energy: -180.268 bonds (distance) P-C4' energy: -166.421 flat angles C4'-P-C4' energy: -175.584 flat angles P-C4'-P energy: -126.315 tors. eta vs tors. theta energy: -221.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2496.081632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.081632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.081632 (E_RNA) where: Base-Base interactions energy: -1675.054 where: short stacking energy: -719.170 Base-Backbone interact. energy: 0.373 local terms energy: -821.400115 where: bonds (distance) C4'-P energy: -165.637 bonds (distance) P-C4' energy: -185.887 flat angles C4'-P-C4' energy: -161.476 flat angles P-C4'-P energy: -114.755 tors. eta vs tors. theta energy: -193.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2301.368069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.368069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.368069 (E_RNA) where: Base-Base interactions energy: -1490.465 where: short stacking energy: -668.815 Base-Backbone interact. energy: -1.218 local terms energy: -809.685706 where: bonds (distance) C4'-P energy: -168.080 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -187.926 flat angles P-C4'-P energy: -123.522 tors. eta vs tors. theta energy: -170.637 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: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1943.119687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.119687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.119687 (E_RNA) where: Base-Base interactions energy: -1277.555 where: short stacking energy: -564.300 Base-Backbone interact. energy: -3.501 local terms energy: -662.063889 where: bonds (distance) C4'-P energy: -154.180 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -151.642 flat angles P-C4'-P energy: -81.223 tors. eta vs tors. theta energy: -121.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1589.726688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.726688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.726688 (E_RNA) where: Base-Base interactions energy: -915.497 where: short stacking energy: -435.189 Base-Backbone interact. energy: 3.074 local terms energy: -677.303412 where: bonds (distance) C4'-P energy: -164.688 bonds (distance) P-C4' energy: -159.553 flat angles C4'-P-C4' energy: -163.599 flat angles P-C4'-P energy: -105.000 tors. eta vs tors. theta energy: -84.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1365.827481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.827481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.827481 (E_RNA) where: Base-Base interactions energy: -777.681 where: short stacking energy: -383.052 Base-Backbone interact. energy: -0.519 local terms energy: -587.627791 where: bonds (distance) C4'-P energy: -151.340 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -133.909 flat angles P-C4'-P energy: -107.421 tors. eta vs tors. theta energy: -42.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -893.653587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.653587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.653587 (E_RNA) where: Base-Base interactions energy: -389.662 where: short stacking energy: -261.159 Base-Backbone interact. energy: -0.920 local terms energy: -503.071320 where: bonds (distance) C4'-P energy: -128.338 bonds (distance) P-C4' energy: -143.834 flat angles C4'-P-C4' energy: -143.494 flat angles P-C4'-P energy: -89.246 tors. eta vs tors. theta energy: 1.842 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: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -791.834582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.834582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.834582 (E_RNA) where: Base-Base interactions energy: -354.116 where: short stacking energy: -217.789 Base-Backbone interact. energy: -2.035 local terms energy: -435.683175 where: bonds (distance) C4'-P energy: -115.019 bonds (distance) P-C4' energy: -163.120 flat angles C4'-P-C4' energy: -116.027 flat angles P-C4'-P energy: -80.778 tors. eta vs tors. theta energy: 39.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2970.465855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.465855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.465855 (E_RNA) where: Base-Base interactions energy: -1969.814 where: short stacking energy: -912.262 Base-Backbone interact. energy: -0.265 local terms energy: -1000.386528 where: bonds (distance) C4'-P energy: -172.093 bonds (distance) P-C4' energy: -198.719 flat angles C4'-P-C4' energy: -217.459 flat angles P-C4'-P energy: -139.323 tors. eta vs tors. theta energy: -272.792 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: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2855.517288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.517288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.517288 (E_RNA) where: Base-Base interactions energy: -1908.904 where: short stacking energy: -876.204 Base-Backbone interact. energy: -3.166 local terms energy: -943.447768 where: bonds (distance) C4'-P energy: -170.062 bonds (distance) P-C4' energy: -186.379 flat angles C4'-P-C4' energy: -193.373 flat angles P-C4'-P energy: -126.575 tors. eta vs tors. theta energy: -267.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2595.121343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.121343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.121343 (E_RNA) where: Base-Base interactions energy: -1716.363 where: short stacking energy: -774.244 Base-Backbone interact. energy: 0.144 local terms energy: -878.902478 where: bonds (distance) C4'-P energy: -168.458 bonds (distance) P-C4' energy: -180.474 flat angles C4'-P-C4' energy: -193.074 flat angles P-C4'-P energy: -116.060 tors. eta vs tors. theta energy: -220.836 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: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2515.629305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.629305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.629305 (E_RNA) where: Base-Base interactions energy: -1687.874 where: short stacking energy: -741.205 Base-Backbone interact. energy: -2.293 local terms energy: -825.462472 where: bonds (distance) C4'-P energy: -160.786 bonds (distance) P-C4' energy: -163.315 flat angles C4'-P-C4' energy: -173.783 flat angles P-C4'-P energy: -117.864 tors. eta vs tors. theta energy: -209.714 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: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2288.474691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.474691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.474691 (E_RNA) where: Base-Base interactions energy: -1470.339 where: short stacking energy: -675.543 Base-Backbone interact. energy: 1.244 local terms energy: -819.378902 where: bonds (distance) C4'-P energy: -174.513 bonds (distance) P-C4' energy: -179.756 flat angles C4'-P-C4' energy: -179.412 flat angles P-C4'-P energy: -113.974 tors. eta vs tors. theta energy: -171.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1940.112568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.112568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.112568 (E_RNA) where: Base-Base interactions energy: -1265.105 where: short stacking energy: -566.606 Base-Backbone interact. energy: 4.613 local terms energy: -679.620520 where: bonds (distance) C4'-P energy: -148.037 bonds (distance) P-C4' energy: -170.156 flat angles C4'-P-C4' energy: -150.933 flat angles P-C4'-P energy: -78.415 tors. eta vs tors. theta energy: -132.080 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: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1600.489544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.489544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.489544 (E_RNA) where: Base-Base interactions energy: -958.218 where: short stacking energy: -438.725 Base-Backbone interact. energy: -1.291 local terms energy: -640.981471 where: bonds (distance) C4'-P energy: -159.062 bonds (distance) P-C4' energy: -140.371 flat angles C4'-P-C4' energy: -164.760 flat angles P-C4'-P energy: -102.296 tors. eta vs tors. theta energy: -74.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1330.262986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.262986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.262986 (E_RNA) where: Base-Base interactions energy: -781.584 where: short stacking energy: -390.970 Base-Backbone interact. energy: -0.218 local terms energy: -548.461083 where: bonds (distance) C4'-P energy: -133.771 bonds (distance) P-C4' energy: -154.463 flat angles C4'-P-C4' energy: -133.001 flat angles P-C4'-P energy: -70.770 tors. eta vs tors. theta energy: -56.456 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: 147 Temperature: 1.300000 Total energy: -912.699644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.699644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.699644 (E_RNA) where: Base-Base interactions energy: -374.494 where: short stacking energy: -237.860 Base-Backbone interact. energy: -2.037 local terms energy: -536.169400 where: bonds (distance) C4'-P energy: -163.858 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -123.809 flat angles P-C4'-P energy: -86.036 tors. eta vs tors. theta energy: -9.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -749.098708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.098708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.098708 (E_RNA) where: Base-Base interactions energy: -311.839 where: short stacking energy: -207.865 Base-Backbone interact. energy: 3.343 local terms energy: -440.603401 where: bonds (distance) C4'-P energy: -140.997 bonds (distance) P-C4' energy: -168.887 flat angles C4'-P-C4' energy: -100.757 flat angles P-C4'-P energy: -72.678 tors. eta vs tors. theta energy: 42.716 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: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2938.180816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.180816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.180816 (E_RNA) where: Base-Base interactions energy: -1974.417 where: short stacking energy: -907.344 Base-Backbone interact. energy: -3.614 local terms energy: -960.149504 where: bonds (distance) C4'-P energy: -164.800 bonds (distance) P-C4' energy: -184.674 flat angles C4'-P-C4' energy: -202.381 flat angles P-C4'-P energy: -123.154 tors. eta vs tors. theta energy: -285.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2843.006211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.006211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.006211 (E_RNA) where: Base-Base interactions energy: -1896.722 where: short stacking energy: -846.351 Base-Backbone interact. energy: -3.298 local terms energy: -942.985709 where: bonds (distance) C4'-P energy: -172.171 bonds (distance) P-C4' energy: -179.553 flat angles C4'-P-C4' energy: -205.909 flat angles P-C4'-P energy: -134.096 tors. eta vs tors. theta energy: -251.257 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: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2645.085566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.085566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.085566 (E_RNA) where: Base-Base interactions energy: -1767.037 where: short stacking energy: -780.041 Base-Backbone interact. energy: -4.925 local terms energy: -873.123472 where: bonds (distance) C4'-P energy: -166.710 bonds (distance) P-C4' energy: -174.365 flat angles C4'-P-C4' energy: -184.767 flat angles P-C4'-P energy: -116.765 tors. eta vs tors. theta energy: -230.516 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: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2546.061335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.061335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.061335 (E_RNA) where: Base-Base interactions energy: -1646.412 where: short stacking energy: -746.939 Base-Backbone interact. energy: 0.371 local terms energy: -900.019818 where: bonds (distance) C4'-P energy: -185.702 bonds (distance) P-C4' energy: -171.698 flat angles C4'-P-C4' energy: -190.629 flat angles P-C4'-P energy: -142.224 tors. eta vs tors. theta energy: -209.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2265.962742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.962742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.962742 (E_RNA) where: Base-Base interactions energy: -1464.821 where: short stacking energy: -651.695 Base-Backbone interact. energy: -2.070 local terms energy: -799.071797 where: bonds (distance) C4'-P energy: -173.692 bonds (distance) P-C4' energy: -152.991 flat angles C4'-P-C4' energy: -188.780 flat angles P-C4'-P energy: -110.000 tors. eta vs tors. theta energy: -173.609 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: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1911.114009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.114009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.114009 (E_RNA) where: Base-Base interactions energy: -1208.725 where: short stacking energy: -548.254 Base-Backbone interact. energy: -1.036 local terms energy: -701.353320 where: bonds (distance) C4'-P energy: -157.185 bonds (distance) P-C4' energy: -176.104 flat angles C4'-P-C4' energy: -152.987 flat angles P-C4'-P energy: -98.467 tors. eta vs tors. theta energy: -116.611 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: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1602.183311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.183311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.183311 (E_RNA) where: Base-Base interactions energy: -956.250 where: short stacking energy: -463.504 Base-Backbone interact. energy: -1.516 local terms energy: -644.417291 where: bonds (distance) C4'-P energy: -148.685 bonds (distance) P-C4' energy: -187.562 flat angles C4'-P-C4' energy: -143.327 flat angles P-C4'-P energy: -76.228 tors. eta vs tors. theta energy: -88.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1373.179492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.179492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.179492 (E_RNA) where: Base-Base interactions energy: -790.101 where: short stacking energy: -368.855 Base-Backbone interact. energy: -0.731 local terms energy: -582.347833 where: bonds (distance) C4'-P energy: -131.519 bonds (distance) P-C4' energy: -169.933 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -62.236 tors. eta vs tors. theta energy: -64.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -970.982168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.982168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.982168 (E_RNA) where: Base-Base interactions energy: -492.170 where: short stacking energy: -282.347 Base-Backbone interact. energy: -3.421 local terms energy: -475.390854 where: bonds (distance) C4'-P energy: -126.442 bonds (distance) P-C4' energy: -160.607 flat angles C4'-P-C4' energy: -135.120 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -706.648702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.648702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.648702 (E_RNA) where: Base-Base interactions energy: -288.216 where: short stacking energy: -159.646 Base-Backbone interact. energy: 5.504 local terms energy: -423.936686 where: bonds (distance) C4'-P energy: -138.183 bonds (distance) P-C4' energy: -145.829 flat angles C4'-P-C4' energy: -111.944 flat angles P-C4'-P energy: -65.485 tors. eta vs tors. theta energy: 37.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2957.351938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.351938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.351938 (E_RNA) where: Base-Base interactions energy: -1966.424 where: short stacking energy: -889.861 Base-Backbone interact. energy: -0.291 local terms energy: -990.637511 where: bonds (distance) C4'-P energy: -183.189 bonds (distance) P-C4' energy: -183.079 flat angles C4'-P-C4' energy: -212.545 flat angles P-C4'-P energy: -146.501 tors. eta vs tors. theta energy: -265.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2828.693074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.693074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.693074 (E_RNA) where: Base-Base interactions energy: -1912.240 where: short stacking energy: -847.904 Base-Backbone interact. energy: -4.249 local terms energy: -912.203836 where: bonds (distance) C4'-P energy: -169.958 bonds (distance) P-C4' energy: -172.481 flat angles C4'-P-C4' energy: -200.758 flat angles P-C4'-P energy: -122.680 tors. eta vs tors. theta energy: -246.327 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: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2556.519739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.519739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.519739 (E_RNA) where: Base-Base interactions energy: -1722.061 where: short stacking energy: -748.781 Base-Backbone interact. energy: -2.387 local terms energy: -832.071933 where: bonds (distance) C4'-P energy: -161.232 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -177.813 flat angles P-C4'-P energy: -129.092 tors. eta vs tors. theta energy: -204.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2480.527701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.527701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.527701 (E_RNA) where: Base-Base interactions energy: -1627.739 where: short stacking energy: -712.766 Base-Backbone interact. energy: -1.744 local terms energy: -851.044593 where: bonds (distance) C4'-P energy: -154.528 bonds (distance) P-C4' energy: -185.699 flat angles C4'-P-C4' energy: -191.608 flat angles P-C4'-P energy: -130.525 tors. eta vs tors. theta energy: -188.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2273.836664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.836664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.836664 (E_RNA) where: Base-Base interactions energy: -1480.998 where: short stacking energy: -674.816 Base-Backbone interact. energy: 3.863 local terms energy: -796.701838 where: bonds (distance) C4'-P energy: -174.772 bonds (distance) P-C4' energy: -150.502 flat angles C4'-P-C4' energy: -173.455 flat angles P-C4'-P energy: -112.329 tors. eta vs tors. theta energy: -185.644 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: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1952.109028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.109028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.109028 (E_RNA) where: Base-Base interactions energy: -1280.375 where: short stacking energy: -567.274 Base-Backbone interact. energy: -1.481 local terms energy: -670.252223 where: bonds (distance) C4'-P energy: -142.478 bonds (distance) P-C4' energy: -147.778 flat angles C4'-P-C4' energy: -162.463 flat angles P-C4'-P energy: -87.891 tors. eta vs tors. theta energy: -129.642 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: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1536.850959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.850959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.850959 (E_RNA) where: Base-Base interactions energy: -877.439 where: short stacking energy: -436.037 Base-Backbone interact. energy: 4.921 local terms energy: -664.332702 where: bonds (distance) C4'-P energy: -148.624 bonds (distance) P-C4' energy: -166.687 flat angles C4'-P-C4' energy: -156.259 flat angles P-C4'-P energy: -111.499 tors. eta vs tors. theta energy: -81.264 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: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1392.487183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.487183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.487183 (E_RNA) where: Base-Base interactions energy: -801.740 where: short stacking energy: -392.142 Base-Backbone interact. energy: 0.159 local terms energy: -590.906090 where: bonds (distance) C4'-P energy: -125.807 bonds (distance) P-C4' energy: -162.966 flat angles C4'-P-C4' energy: -158.770 flat angles P-C4'-P energy: -84.203 tors. eta vs tors. theta energy: -59.160 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: 149 Temperature: 1.300000 Total energy: -925.626599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.626599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.626599 (E_RNA) where: Base-Base interactions energy: -421.245 where: short stacking energy: -248.558 Base-Backbone interact. energy: -1.043 local terms energy: -503.338018 where: bonds (distance) C4'-P energy: -137.352 bonds (distance) P-C4' energy: -160.750 flat angles C4'-P-C4' energy: -139.262 flat angles P-C4'-P energy: -71.008 tors. eta vs tors. theta energy: 5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -757.608000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.608000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.608000 (E_RNA) where: Base-Base interactions energy: -305.756 where: short stacking energy: -229.959 Base-Backbone interact. energy: 2.995 local terms energy: -454.846766 where: bonds (distance) C4'-P energy: -165.629 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -96.316 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: 17.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2938.787623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.787623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.787623 (E_RNA) where: Base-Base interactions energy: -1953.142 where: short stacking energy: -879.366 Base-Backbone interact. energy: 0.505 local terms energy: -986.150975 where: bonds (distance) C4'-P energy: -185.208 bonds (distance) P-C4' energy: -189.932 flat angles C4'-P-C4' energy: -217.629 flat angles P-C4'-P energy: -136.259 tors. eta vs tors. theta energy: -257.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2791.250546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.250546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.250546 (E_RNA) where: Base-Base interactions energy: -1873.889 where: short stacking energy: -822.426 Base-Backbone interact. energy: -2.124 local terms energy: -915.237405 where: bonds (distance) C4'-P energy: -174.332 bonds (distance) P-C4' energy: -171.610 flat angles C4'-P-C4' energy: -211.111 flat angles P-C4'-P energy: -108.508 tors. eta vs tors. theta energy: -249.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2557.784356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.784356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.784356 (E_RNA) where: Base-Base interactions energy: -1703.121 where: short stacking energy: -729.881 Base-Backbone interact. energy: -5.924 local terms energy: -848.739618 where: bonds (distance) C4'-P energy: -161.462 bonds (distance) P-C4' energy: -175.465 flat angles C4'-P-C4' energy: -187.783 flat angles P-C4'-P energy: -120.034 tors. eta vs tors. theta energy: -203.996 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: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2480.513650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.513650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.513650 (E_RNA) where: Base-Base interactions energy: -1633.838 where: short stacking energy: -729.415 Base-Backbone interact. energy: 1.897 local terms energy: -848.572047 where: bonds (distance) C4'-P energy: -171.246 bonds (distance) P-C4' energy: -174.158 flat angles C4'-P-C4' energy: -197.535 flat angles P-C4'-P energy: -108.163 tors. eta vs tors. theta energy: -197.469 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: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2338.096178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.096178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.096178 (E_RNA) where: Base-Base interactions energy: -1531.958 where: short stacking energy: -686.673 Base-Backbone interact. energy: -2.997 local terms energy: -803.140806 where: bonds (distance) C4'-P energy: -173.868 bonds (distance) P-C4' energy: -168.128 flat angles C4'-P-C4' energy: -173.832 flat angles P-C4'-P energy: -103.379 tors. eta vs tors. theta energy: -183.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1958.385679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.385679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.385679 (E_RNA) where: Base-Base interactions energy: -1256.298 where: short stacking energy: -590.102 Base-Backbone interact. energy: -3.386 local terms energy: -698.701912 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -153.396 flat angles C4'-P-C4' energy: -161.593 flat angles P-C4'-P energy: -108.076 tors. eta vs tors. theta energy: -127.591 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: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1604.119103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.119103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.119103 (E_RNA) where: Base-Base interactions energy: -956.048 where: short stacking energy: -478.618 Base-Backbone interact. energy: 1.839 local terms energy: -649.910201 where: bonds (distance) C4'-P energy: -130.883 bonds (distance) P-C4' energy: -150.363 flat angles C4'-P-C4' energy: -144.793 flat angles P-C4'-P energy: -113.269 tors. eta vs tors. theta energy: -110.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1361.509961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.509961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.509961 (E_RNA) where: Base-Base interactions energy: -781.823 where: short stacking energy: -385.568 Base-Backbone interact. energy: 0.812 local terms energy: -580.499776 where: bonds (distance) C4'-P energy: -159.514 bonds (distance) P-C4' energy: -159.706 flat angles C4'-P-C4' energy: -121.706 flat angles P-C4'-P energy: -82.817 tors. eta vs tors. theta energy: -56.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -924.302659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.302659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.302659 (E_RNA) where: Base-Base interactions energy: -422.944 where: short stacking energy: -271.778 Base-Backbone interact. energy: 2.413 local terms energy: -503.772024 where: bonds (distance) C4'-P energy: -154.793 bonds (distance) P-C4' energy: -146.320 flat angles C4'-P-C4' energy: -140.897 flat angles P-C4'-P energy: -60.195 tors. eta vs tors. theta energy: -1.567 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: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -711.202701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.202701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.202701 (E_RNA) where: Base-Base interactions energy: -279.797 where: short stacking energy: -194.762 Base-Backbone interact. energy: -1.477 local terms energy: -429.929547 where: bonds (distance) C4'-P energy: -149.580 bonds (distance) P-C4' energy: -156.997 flat angles C4'-P-C4' energy: -96.884 flat angles P-C4'-P energy: -73.307 tors. eta vs tors. theta energy: 46.838 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: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2945.761434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.761434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.761434 (E_RNA) where: Base-Base interactions energy: -1965.837 where: short stacking energy: -903.820 Base-Backbone interact. energy: -1.177 local terms energy: -978.747894 where: bonds (distance) C4'-P energy: -164.638 bonds (distance) P-C4' energy: -183.596 flat angles C4'-P-C4' energy: -211.470 flat angles P-C4'-P energy: -145.797 tors. eta vs tors. theta energy: -273.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2835.658106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.658106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.658106 (E_RNA) where: Base-Base interactions energy: -1940.682 where: short stacking energy: -853.386 Base-Backbone interact. energy: 0.087 local terms energy: -895.062860 where: bonds (distance) C4'-P energy: -171.121 bonds (distance) P-C4' energy: -152.664 flat angles C4'-P-C4' energy: -196.450 flat angles P-C4'-P energy: -126.280 tors. eta vs tors. theta energy: -248.548 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: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2612.235334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.235334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.235334 (E_RNA) where: Base-Base interactions energy: -1747.147 where: short stacking energy: -758.901 Base-Backbone interact. energy: -1.851 local terms energy: -863.237321 where: bonds (distance) C4'-P energy: -189.415 bonds (distance) P-C4' energy: -144.351 flat angles C4'-P-C4' energy: -187.405 flat angles P-C4'-P energy: -130.730 tors. eta vs tors. theta energy: -211.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2542.542919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.542919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.542919 (E_RNA) where: Base-Base interactions energy: -1706.097 where: short stacking energy: -787.263 Base-Backbone interact. energy: 1.157 local terms energy: -837.603323 where: bonds (distance) C4'-P energy: -158.108 bonds (distance) P-C4' energy: -159.943 flat angles C4'-P-C4' energy: -187.724 flat angles P-C4'-P energy: -112.626 tors. eta vs tors. theta energy: -219.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2387.952027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.952027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.952027 (E_RNA) where: Base-Base interactions energy: -1589.282 where: short stacking energy: -690.532 Base-Backbone interact. energy: 1.482 local terms energy: -800.151338 where: bonds (distance) C4'-P energy: -167.167 bonds (distance) P-C4' energy: -160.677 flat angles C4'-P-C4' energy: -175.382 flat angles P-C4'-P energy: -96.985 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: 151 Temperature: 1.150000 Total energy: -1922.516705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.516705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.516705 (E_RNA) where: Base-Base interactions energy: -1237.712 where: short stacking energy: -532.067 Base-Backbone interact. energy: 2.545 local terms energy: -687.349916 where: bonds (distance) C4'-P energy: -173.062 bonds (distance) P-C4' energy: -146.557 flat angles C4'-P-C4' energy: -169.826 flat angles P-C4'-P energy: -90.238 tors. eta vs tors. theta energy: -107.666 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: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1558.067684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.067684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.067684 (E_RNA) where: Base-Base interactions energy: -917.036 where: short stacking energy: -484.795 Base-Backbone interact. energy: -0.234 local terms energy: -640.797404 where: bonds (distance) C4'-P energy: -154.826 bonds (distance) P-C4' energy: -152.340 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -93.564 tors. eta vs tors. theta energy: -83.883 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: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1331.860995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.860995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.860995 (E_RNA) where: Base-Base interactions energy: -753.750 where: short stacking energy: -369.215 Base-Backbone interact. energy: 0.630 local terms energy: -578.740922 where: bonds (distance) C4'-P energy: -158.798 bonds (distance) P-C4' energy: -138.098 flat angles C4'-P-C4' energy: -146.926 flat angles P-C4'-P energy: -90.370 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -907.349354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.349354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.349354 (E_RNA) where: Base-Base interactions energy: -418.177 where: short stacking energy: -237.960 Base-Backbone interact. energy: -3.125 local terms energy: -486.047941 where: bonds (distance) C4'-P energy: -153.056 bonds (distance) P-C4' energy: -139.040 flat angles C4'-P-C4' energy: -129.343 flat angles P-C4'-P energy: -77.567 tors. eta vs tors. theta energy: 12.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -733.336821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.336821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.336821 (E_RNA) where: Base-Base interactions energy: -295.973 where: short stacking energy: -190.225 Base-Backbone interact. energy: 0.809 local terms energy: -438.173076 where: bonds (distance) C4'-P energy: -131.231 bonds (distance) P-C4' energy: -150.702 flat angles C4'-P-C4' energy: -109.214 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: 26.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2953.073034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.073034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.073034 (E_RNA) where: Base-Base interactions energy: -1975.258 where: short stacking energy: -900.097 Base-Backbone interact. energy: 0.712 local terms energy: -978.526803 where: bonds (distance) C4'-P energy: -183.853 bonds (distance) P-C4' energy: -189.163 flat angles C4'-P-C4' energy: -205.421 flat angles P-C4'-P energy: -134.707 tors. eta vs tors. theta energy: -265.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2818.714548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.714548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.714548 (E_RNA) where: Base-Base interactions energy: -1880.777 where: short stacking energy: -820.360 Base-Backbone interact. energy: -4.284 local terms energy: -933.653491 where: bonds (distance) C4'-P energy: -192.903 bonds (distance) P-C4' energy: -183.020 flat angles C4'-P-C4' energy: -194.881 flat angles P-C4'-P energy: -117.092 tors. eta vs tors. theta energy: -245.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2592.805432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.805432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.805432 (E_RNA) where: Base-Base interactions energy: -1737.777 where: short stacking energy: -737.266 Base-Backbone interact. energy: -2.920 local terms energy: -852.108420 where: bonds (distance) C4'-P energy: -174.626 bonds (distance) P-C4' energy: -169.366 flat angles C4'-P-C4' energy: -185.860 flat angles P-C4'-P energy: -124.107 tors. eta vs tors. theta energy: -198.149 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: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2513.137050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.137050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.137050 (E_RNA) where: Base-Base interactions energy: -1693.245 where: short stacking energy: -741.017 Base-Backbone interact. energy: -5.082 local terms energy: -814.810695 where: bonds (distance) C4'-P energy: -148.420 bonds (distance) P-C4' energy: -165.431 flat angles C4'-P-C4' energy: -177.768 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -218.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2419.670890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.670890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.670890 (E_RNA) where: Base-Base interactions energy: -1572.389 where: short stacking energy: -668.066 Base-Backbone interact. energy: -2.475 local terms energy: -844.806920 where: bonds (distance) C4'-P energy: -157.004 bonds (distance) P-C4' energy: -171.907 flat angles C4'-P-C4' energy: -188.284 flat angles P-C4'-P energy: -136.007 tors. eta vs tors. theta energy: -191.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1951.352731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.352731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.352731 (E_RNA) where: Base-Base interactions energy: -1247.947 where: short stacking energy: -544.782 Base-Backbone interact. energy: -0.700 local terms energy: -702.706121 where: bonds (distance) C4'-P energy: -164.326 bonds (distance) P-C4' energy: -149.857 flat angles C4'-P-C4' energy: -165.463 flat angles P-C4'-P energy: -93.954 tors. eta vs tors. theta energy: -129.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1552.078555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.078555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.078555 (E_RNA) where: Base-Base interactions energy: -899.855 where: short stacking energy: -440.836 Base-Backbone interact. energy: -0.324 local terms energy: -651.899343 where: bonds (distance) C4'-P energy: -158.830 bonds (distance) P-C4' energy: -174.966 flat angles C4'-P-C4' energy: -143.236 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -69.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1321.279869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.279869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.279869 (E_RNA) where: Base-Base interactions energy: -760.285 where: short stacking energy: -366.454 Base-Backbone interact. energy: 5.110 local terms energy: -566.104909 where: bonds (distance) C4'-P energy: -162.987 bonds (distance) P-C4' energy: -159.738 flat angles C4'-P-C4' energy: -132.529 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -25.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -906.060085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.060085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.060085 (E_RNA) where: Base-Base interactions energy: -427.820 where: short stacking energy: -268.443 Base-Backbone interact. energy: -3.238 local terms energy: -475.001785 where: bonds (distance) C4'-P energy: -146.893 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -111.343 flat angles P-C4'-P energy: -76.643 tors. eta vs tors. theta energy: 6.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -726.535362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.535362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.535362 (E_RNA) where: Base-Base interactions energy: -302.848 where: short stacking energy: -228.254 Base-Backbone interact. energy: 9.161 local terms energy: -432.847689 where: bonds (distance) C4'-P energy: -130.528 bonds (distance) P-C4' energy: -160.365 flat angles C4'-P-C4' energy: -110.695 flat angles P-C4'-P energy: -68.746 tors. eta vs tors. theta energy: 37.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2976.381373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.381373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.381373 (E_RNA) where: Base-Base interactions energy: -1983.346 where: short stacking energy: -917.353 Base-Backbone interact. energy: -1.836 local terms energy: -991.199209 where: bonds (distance) C4'-P energy: -181.116 bonds (distance) P-C4' energy: -195.547 flat angles C4'-P-C4' energy: -210.350 flat angles P-C4'-P energy: -126.801 tors. eta vs tors. theta energy: -277.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2811.535081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.535081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.535081 (E_RNA) where: Base-Base interactions energy: -1875.800 where: short stacking energy: -847.624 Base-Backbone interact. energy: -2.585 local terms energy: -933.150881 where: bonds (distance) C4'-P energy: -192.385 bonds (distance) P-C4' energy: -169.213 flat angles C4'-P-C4' energy: -185.990 flat angles P-C4'-P energy: -129.555 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: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2596.963507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.963507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.963507 (E_RNA) where: Base-Base interactions energy: -1715.735 where: short stacking energy: -757.045 Base-Backbone interact. energy: -2.843 local terms energy: -878.386119 where: bonds (distance) C4'-P energy: -167.658 bonds (distance) P-C4' energy: -170.224 flat angles C4'-P-C4' energy: -201.265 flat angles P-C4'-P energy: -121.616 tors. eta vs tors. theta energy: -217.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2537.893716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.893716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.893716 (E_RNA) where: Base-Base interactions energy: -1694.638 where: short stacking energy: -766.026 Base-Backbone interact. energy: -3.697 local terms energy: -839.558662 where: bonds (distance) C4'-P energy: -151.999 bonds (distance) P-C4' energy: -167.991 flat angles C4'-P-C4' energy: -189.528 flat angles P-C4'-P energy: -126.027 tors. eta vs tors. theta energy: -204.014 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: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2414.284956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.284956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.284956 (E_RNA) where: Base-Base interactions energy: -1617.320 where: short stacking energy: -698.621 Base-Backbone interact. energy: -5.205 local terms energy: -791.759542 where: bonds (distance) C4'-P energy: -149.351 bonds (distance) P-C4' energy: -157.913 flat angles C4'-P-C4' energy: -171.249 flat angles P-C4'-P energy: -110.971 tors. eta vs tors. theta energy: -202.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1983.092224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.092224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.092224 (E_RNA) where: Base-Base interactions energy: -1241.889 where: short stacking energy: -527.311 Base-Backbone interact. energy: 4.782 local terms energy: -745.985315 where: bonds (distance) C4'-P energy: -161.082 bonds (distance) P-C4' energy: -171.007 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -126.075 tors. eta vs tors. theta energy: -121.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1528.982221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.982221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.982221 (E_RNA) where: Base-Base interactions energy: -881.761 where: short stacking energy: -417.660 Base-Backbone interact. energy: -1.574 local terms energy: -645.647371 where: bonds (distance) C4'-P energy: -145.747 bonds (distance) P-C4' energy: -157.225 flat angles C4'-P-C4' energy: -157.563 flat angles P-C4'-P energy: -96.569 tors. eta vs tors. theta energy: -88.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1287.198583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.198583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.198583 (E_RNA) where: Base-Base interactions energy: -707.476 where: short stacking energy: -347.200 Base-Backbone interact. energy: 4.473 local terms energy: -584.195920 where: bonds (distance) C4'-P energy: -150.549 bonds (distance) P-C4' energy: -158.693 flat angles C4'-P-C4' energy: -140.782 flat angles P-C4'-P energy: -96.485 tors. eta vs tors. theta energy: -37.687 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: 153 Temperature: 1.300000 Total energy: -891.566781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.566781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.566781 (E_RNA) where: Base-Base interactions energy: -426.133 where: short stacking energy: -222.493 Base-Backbone interact. energy: 4.768 local terms energy: -470.202259 where: bonds (distance) C4'-P energy: -167.900 bonds (distance) P-C4' energy: -132.259 flat angles C4'-P-C4' energy: -130.029 flat angles P-C4'-P energy: -70.495 tors. eta vs tors. theta energy: 30.481 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -761.621278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.621278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.621278 (E_RNA) where: Base-Base interactions energy: -319.158 where: short stacking energy: -206.461 Base-Backbone interact. energy: 2.875 local terms energy: -445.337700 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -154.230 flat angles C4'-P-C4' energy: -103.691 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: 31.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2971.349259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.349259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.349259 (E_RNA) where: Base-Base interactions energy: -2007.303 where: short stacking energy: -922.820 Base-Backbone interact. energy: -1.728 local terms energy: -962.318060 where: bonds (distance) C4'-P energy: -174.945 bonds (distance) P-C4' energy: -179.851 flat angles C4'-P-C4' energy: -194.922 flat angles P-C4'-P energy: -141.388 tors. eta vs tors. theta energy: -271.211 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: 154 Temperature: 0.950000 Total energy: -2803.696343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.696343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.696343 (E_RNA) where: Base-Base interactions energy: -1891.554 where: short stacking energy: -864.990 Base-Backbone interact. energy: -0.218 local terms energy: -911.924250 where: bonds (distance) C4'-P energy: -163.754 bonds (distance) P-C4' energy: -169.138 flat angles C4'-P-C4' energy: -202.522 flat angles P-C4'-P energy: -126.332 tors. eta vs tors. theta energy: -250.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2624.268527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.268527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.268527 (E_RNA) where: Base-Base interactions energy: -1744.429 where: short stacking energy: -767.246 Base-Backbone interact. energy: -1.766 local terms energy: -878.073764 where: bonds (distance) C4'-P energy: -163.948 bonds (distance) P-C4' energy: -173.631 flat angles C4'-P-C4' energy: -196.214 flat angles P-C4'-P energy: -122.383 tors. eta vs tors. theta energy: -221.898 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: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2528.425365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.425365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.425365 (E_RNA) where: Base-Base interactions energy: -1678.348 where: short stacking energy: -706.862 Base-Backbone interact. energy: -0.932 local terms energy: -849.146108 where: bonds (distance) C4'-P energy: -170.506 bonds (distance) P-C4' energy: -159.466 flat angles C4'-P-C4' energy: -189.464 flat angles P-C4'-P energy: -128.324 tors. eta vs tors. theta energy: -201.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2431.321487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.321487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.321487 (E_RNA) where: Base-Base interactions energy: -1610.645 where: short stacking energy: -713.706 Base-Backbone interact. energy: -0.940 local terms energy: -819.737434 where: bonds (distance) C4'-P energy: -152.458 bonds (distance) P-C4' energy: -161.236 flat angles C4'-P-C4' energy: -182.044 flat angles P-C4'-P energy: -121.680 tors. eta vs tors. theta energy: -202.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2065.124448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.124448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.124448 (E_RNA) where: Base-Base interactions energy: -1345.751 where: short stacking energy: -571.840 Base-Backbone interact. energy: -2.034 local terms energy: -717.338899 where: bonds (distance) C4'-P energy: -141.823 bonds (distance) P-C4' energy: -150.818 flat angles C4'-P-C4' energy: -179.444 flat angles P-C4'-P energy: -112.265 tors. eta vs tors. theta energy: -132.988 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: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1496.727633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.727633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.727633 (E_RNA) where: Base-Base interactions energy: -862.174 where: short stacking energy: -452.560 Base-Backbone interact. energy: 5.271 local terms energy: -639.824350 where: bonds (distance) C4'-P energy: -126.290 bonds (distance) P-C4' energy: -169.741 flat angles C4'-P-C4' energy: -163.251 flat angles P-C4'-P energy: -93.906 tors. eta vs tors. theta energy: -86.636 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: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1385.498981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.498981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.498981 (E_RNA) where: Base-Base interactions energy: -800.349 where: short stacking energy: -406.465 Base-Backbone interact. energy: -2.921 local terms energy: -582.228229 where: bonds (distance) C4'-P energy: -143.008 bonds (distance) P-C4' energy: -162.592 flat angles C4'-P-C4' energy: -124.662 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -61.665 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: 154 Temperature: 1.300000 Total energy: -845.835433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.835433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.835433 (E_RNA) where: Base-Base interactions energy: -365.669 where: short stacking energy: -245.358 Base-Backbone interact. energy: -3.010 local terms energy: -477.156612 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -152.730 flat angles C4'-P-C4' energy: -119.617 flat angles P-C4'-P energy: -88.655 tors. eta vs tors. theta energy: 26.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -765.468754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.468754 (E_RNA) where: Base-Base interactions energy: -329.564 where: short stacking energy: -227.256 Base-Backbone interact. energy: 6.596 local terms energy: -442.500896 where: bonds (distance) C4'-P energy: -139.619 bonds (distance) P-C4' energy: -149.769 flat angles C4'-P-C4' energy: -116.960 flat angles P-C4'-P energy: -70.812 tors. eta vs tors. theta energy: 34.660 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: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2966.075783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.075783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.075783 (E_RNA) where: Base-Base interactions energy: -2002.543 where: short stacking energy: -912.529 Base-Backbone interact. energy: 2.001 local terms energy: -965.534183 where: bonds (distance) C4'-P energy: -158.826 bonds (distance) P-C4' energy: -187.733 flat angles C4'-P-C4' energy: -201.576 flat angles P-C4'-P energy: -143.444 tors. eta vs tors. theta energy: -273.956 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: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2853.280685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.280685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.280685 (E_RNA) where: Base-Base interactions energy: -1889.795 where: short stacking energy: -882.114 Base-Backbone interact. energy: 0.413 local terms energy: -963.898618 where: bonds (distance) C4'-P energy: -183.932 bonds (distance) P-C4' energy: -185.285 flat angles C4'-P-C4' energy: -218.242 flat angles P-C4'-P energy: -120.662 tors. eta vs tors. theta energy: -255.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2629.496359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.496359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.496359 (E_RNA) where: Base-Base interactions energy: -1715.772 where: short stacking energy: -772.158 Base-Backbone interact. energy: -1.554 local terms energy: -912.170621 where: bonds (distance) C4'-P energy: -173.742 bonds (distance) P-C4' energy: -179.953 flat angles C4'-P-C4' energy: -198.767 flat angles P-C4'-P energy: -122.317 tors. eta vs tors. theta energy: -237.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2560.607889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.607889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.607889 (E_RNA) where: Base-Base interactions energy: -1711.521 where: short stacking energy: -754.150 Base-Backbone interact. energy: 1.527 local terms energy: -850.613696 where: bonds (distance) C4'-P energy: -166.276 bonds (distance) P-C4' energy: -174.957 flat angles C4'-P-C4' energy: -182.940 flat angles P-C4'-P energy: -111.473 tors. eta vs tors. theta energy: -214.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2392.240822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.240822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.240822 (E_RNA) where: Base-Base interactions energy: -1547.670 where: short stacking energy: -702.152 Base-Backbone interact. energy: 0.130 local terms energy: -844.701405 where: bonds (distance) C4'-P energy: -160.690 bonds (distance) P-C4' energy: -177.840 flat angles C4'-P-C4' energy: -175.539 flat angles P-C4'-P energy: -122.687 tors. eta vs tors. theta energy: -207.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2077.816218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.816218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.816218 (E_RNA) where: Base-Base interactions energy: -1352.545 where: short stacking energy: -610.382 Base-Backbone interact. energy: -4.327 local terms energy: -720.943563 where: bonds (distance) C4'-P energy: -158.260 bonds (distance) P-C4' energy: -160.894 flat angles C4'-P-C4' energy: -168.085 flat angles P-C4'-P energy: -94.291 tors. eta vs tors. theta energy: -139.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1382.820889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.820889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.820889 (E_RNA) where: Base-Base interactions energy: -758.617 where: short stacking energy: -363.520 Base-Backbone interact. energy: -4.939 local terms energy: -619.265510 where: bonds (distance) C4'-P energy: -165.210 bonds (distance) P-C4' energy: -151.427 flat angles C4'-P-C4' energy: -149.909 flat angles P-C4'-P energy: -98.473 tors. eta vs tors. theta energy: -54.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1307.065610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.065610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.065610 (E_RNA) where: Base-Base interactions energy: -724.984 where: short stacking energy: -393.730 Base-Backbone interact. energy: -1.614 local terms energy: -580.467416 where: bonds (distance) C4'-P energy: -147.487 bonds (distance) P-C4' energy: -162.648 flat angles C4'-P-C4' energy: -138.566 flat angles P-C4'-P energy: -87.235 tors. eta vs tors. theta energy: -44.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -940.552794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.552794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.552794 (E_RNA) where: Base-Base interactions energy: -419.120 where: short stacking energy: -245.116 Base-Backbone interact. energy: -1.035 local terms energy: -520.396967 where: bonds (distance) C4'-P energy: -151.644 bonds (distance) P-C4' energy: -155.751 flat angles C4'-P-C4' energy: -130.350 flat angles P-C4'-P energy: -99.633 tors. eta vs tors. theta energy: 16.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -746.283680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.283680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.283680 (E_RNA) where: Base-Base interactions energy: -317.328 where: short stacking energy: -209.162 Base-Backbone interact. energy: 3.597 local terms energy: -432.553113 where: bonds (distance) C4'-P energy: -127.719 bonds (distance) P-C4' energy: -156.724 flat angles C4'-P-C4' energy: -111.079 flat angles P-C4'-P energy: -59.734 tors. eta vs tors. theta energy: 22.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2975.134416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.134416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.134416 (E_RNA) where: Base-Base interactions energy: -2002.742 where: short stacking energy: -908.805 Base-Backbone interact. energy: 0.740 local terms energy: -973.132561 where: bonds (distance) C4'-P energy: -180.290 bonds (distance) P-C4' energy: -187.957 flat angles C4'-P-C4' energy: -194.739 flat angles P-C4'-P energy: -134.537 tors. eta vs tors. theta energy: -275.609 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: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2863.389295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.389295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.389295 (E_RNA) where: Base-Base interactions energy: -1926.344 where: short stacking energy: -880.897 Base-Backbone interact. energy: -0.067 local terms energy: -936.978026 where: bonds (distance) C4'-P energy: -170.976 bonds (distance) P-C4' energy: -156.188 flat angles C4'-P-C4' energy: -204.678 flat angles P-C4'-P energy: -139.071 tors. eta vs tors. theta energy: -266.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2647.189585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.189585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.189585 (E_RNA) where: Base-Base interactions energy: -1749.983 where: short stacking energy: -763.233 Base-Backbone interact. energy: -0.179 local terms energy: -897.027798 where: bonds (distance) C4'-P energy: -185.270 bonds (distance) P-C4' energy: -175.472 flat angles C4'-P-C4' energy: -198.024 flat angles P-C4'-P energy: -128.238 tors. eta vs tors. theta energy: -210.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2592.338717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.338717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.338717 (E_RNA) where: Base-Base interactions energy: -1725.956 where: short stacking energy: -764.537 Base-Backbone interact. energy: 1.326 local terms energy: -867.708543 where: bonds (distance) C4'-P energy: -161.794 bonds (distance) P-C4' energy: -167.100 flat angles C4'-P-C4' energy: -188.020 flat angles P-C4'-P energy: -127.171 tors. eta vs tors. theta energy: -223.623 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: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2440.564978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.564978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.564978 (E_RNA) where: Base-Base interactions energy: -1596.860 where: short stacking energy: -713.600 Base-Backbone interact. energy: 0.180 local terms energy: -843.885771 where: bonds (distance) C4'-P energy: -161.990 bonds (distance) P-C4' energy: -172.641 flat angles C4'-P-C4' energy: -182.642 flat angles P-C4'-P energy: -112.358 tors. eta vs tors. theta energy: -214.256 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: 156 Temperature: 1.150000 Total energy: -1991.635711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.635711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.635711 (E_RNA) where: Base-Base interactions energy: -1289.653 where: short stacking energy: -547.515 Base-Backbone interact. energy: 2.342 local terms energy: -704.324558 where: bonds (distance) C4'-P energy: -152.216 bonds (distance) P-C4' energy: -164.354 flat angles C4'-P-C4' energy: -163.030 flat angles P-C4'-P energy: -100.403 tors. eta vs tors. theta energy: -124.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1316.785300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.785300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.785300 (E_RNA) where: Base-Base interactions energy: -716.834 where: short stacking energy: -355.029 Base-Backbone interact. energy: -2.877 local terms energy: -597.074356 where: bonds (distance) C4'-P energy: -148.067 bonds (distance) P-C4' energy: -183.062 flat angles C4'-P-C4' energy: -153.902 flat angles P-C4'-P energy: -70.864 tors. eta vs tors. theta energy: -41.179 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1373.128304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.128304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.128304 (E_RNA) where: Base-Base interactions energy: -815.106 where: short stacking energy: -405.996 Base-Backbone interact. energy: 9.616 local terms energy: -567.638333 where: bonds (distance) C4'-P energy: -151.149 bonds (distance) P-C4' energy: -154.400 flat angles C4'-P-C4' energy: -147.511 flat angles P-C4'-P energy: -75.579 tors. eta vs tors. theta energy: -38.999 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: 156 Temperature: 1.300000 Total energy: -846.216908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.216908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.216908 (E_RNA) where: Base-Base interactions energy: -381.036 where: short stacking energy: -243.657 Base-Backbone interact. energy: -1.876 local terms energy: -463.305372 where: bonds (distance) C4'-P energy: -125.743 bonds (distance) P-C4' energy: -163.497 flat angles C4'-P-C4' energy: -106.415 flat angles P-C4'-P energy: -80.194 tors. eta vs tors. theta energy: 12.544 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: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -741.271118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.271118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.271118 (E_RNA) where: Base-Base interactions energy: -311.521 where: short stacking energy: -213.036 Base-Backbone interact. energy: 4.930 local terms energy: -434.680257 where: bonds (distance) C4'-P energy: -142.440 bonds (distance) P-C4' energy: -134.331 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: 36.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2980.942559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.942559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.942559 (E_RNA) where: Base-Base interactions energy: -1984.892 where: short stacking energy: -925.490 Base-Backbone interact. energy: 4.510 local terms energy: -1000.560018 where: bonds (distance) C4'-P energy: -175.479 bonds (distance) P-C4' energy: -191.757 flat angles C4'-P-C4' energy: -218.707 flat angles P-C4'-P energy: -134.280 tors. eta vs tors. theta energy: -280.338 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: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2830.254739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.254739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.254739 (E_RNA) where: Base-Base interactions energy: -1905.160 where: short stacking energy: -861.095 Base-Backbone interact. energy: -0.753 local terms energy: -924.341502 where: bonds (distance) C4'-P energy: -161.125 bonds (distance) P-C4' energy: -189.324 flat angles C4'-P-C4' energy: -193.076 flat angles P-C4'-P energy: -132.538 tors. eta vs tors. theta energy: -248.278 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: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2591.153292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.153292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.153292 (E_RNA) where: Base-Base interactions energy: -1712.139 where: short stacking energy: -756.172 Base-Backbone interact. energy: -3.164 local terms energy: -875.850080 where: bonds (distance) C4'-P energy: -156.568 bonds (distance) P-C4' energy: -168.299 flat angles C4'-P-C4' energy: -196.311 flat angles P-C4'-P energy: -123.902 tors. eta vs tors. theta energy: -230.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2539.157431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.157431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.157431 (E_RNA) where: Base-Base interactions energy: -1683.301 where: short stacking energy: -726.846 Base-Backbone interact. energy: -0.581 local terms energy: -855.275031 where: bonds (distance) C4'-P energy: -152.151 bonds (distance) P-C4' energy: -172.905 flat angles C4'-P-C4' energy: -198.493 flat angles P-C4'-P energy: -116.757 tors. eta vs tors. theta energy: -214.969 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2444.639196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.639196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.639196 (E_RNA) where: Base-Base interactions energy: -1599.619 where: short stacking energy: -705.388 Base-Backbone interact. energy: -2.607 local terms energy: -842.412970 where: bonds (distance) C4'-P energy: -161.216 bonds (distance) P-C4' energy: -166.266 flat angles C4'-P-C4' energy: -175.625 flat angles P-C4'-P energy: -116.065 tors. eta vs tors. theta energy: -223.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2002.809544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.809544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.809544 (E_RNA) where: Base-Base interactions energy: -1303.623 where: short stacking energy: -569.657 Base-Backbone interact. energy: -0.455 local terms energy: -698.731451 where: bonds (distance) C4'-P energy: -148.915 bonds (distance) P-C4' energy: -175.335 flat angles C4'-P-C4' energy: -148.773 flat angles P-C4'-P energy: -106.647 tors. eta vs tors. theta energy: -119.062 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: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1414.516652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.516652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.516652 (E_RNA) where: Base-Base interactions energy: -816.804 where: short stacking energy: -429.585 Base-Backbone interact. energy: -0.222 local terms energy: -597.491224 where: bonds (distance) C4'-P energy: -163.137 bonds (distance) P-C4' energy: -155.403 flat angles C4'-P-C4' energy: -149.950 flat angles P-C4'-P energy: -70.265 tors. eta vs tors. theta energy: -58.737 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1281.785476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.785476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.785476 (E_RNA) where: Base-Base interactions energy: -676.778 where: short stacking energy: -356.588 Base-Backbone interact. energy: -0.741 local terms energy: -604.266656 where: bonds (distance) C4'-P energy: -164.220 bonds (distance) P-C4' energy: -162.988 flat angles C4'-P-C4' energy: -148.159 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -40.664 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: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -976.520539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.520539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.520539 (E_RNA) where: Base-Base interactions energy: -475.392 where: short stacking energy: -271.757 Base-Backbone interact. energy: 4.940 local terms energy: -506.068429 where: bonds (distance) C4'-P energy: -123.850 bonds (distance) P-C4' energy: -184.748 flat angles C4'-P-C4' energy: -128.703 flat angles P-C4'-P energy: -66.524 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -696.532636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.532636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.532636 (E_RNA) where: Base-Base interactions energy: -230.897 where: short stacking energy: -161.618 Base-Backbone interact. energy: 2.211 local terms energy: -467.847072 where: bonds (distance) C4'-P energy: -152.235 bonds (distance) P-C4' energy: -146.306 flat angles C4'-P-C4' energy: -135.253 flat angles P-C4'-P energy: -80.536 tors. eta vs tors. theta energy: 46.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2964.498315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.498315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.498315 (E_RNA) where: Base-Base interactions energy: -1988.250 where: short stacking energy: -916.660 Base-Backbone interact. energy: 1.178 local terms energy: -977.426579 where: bonds (distance) C4'-P energy: -184.545 bonds (distance) P-C4' energy: -187.819 flat angles C4'-P-C4' energy: -201.104 flat angles P-C4'-P energy: -139.445 tors. eta vs tors. theta energy: -264.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2831.526495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.526495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.526495 (E_RNA) where: Base-Base interactions energy: -1892.162 where: short stacking energy: -837.669 Base-Backbone interact. energy: -2.251 local terms energy: -937.113016 where: bonds (distance) C4'-P energy: -163.265 bonds (distance) P-C4' energy: -198.885 flat angles C4'-P-C4' energy: -201.249 flat angles P-C4'-P energy: -131.047 tors. eta vs tors. theta energy: -242.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2630.053312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.053312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.053312 (E_RNA) where: Base-Base interactions energy: -1769.205 where: short stacking energy: -787.293 Base-Backbone interact. energy: -2.710 local terms energy: -858.139165 where: bonds (distance) C4'-P energy: -174.521 bonds (distance) P-C4' energy: -154.694 flat angles C4'-P-C4' energy: -184.259 flat angles P-C4'-P energy: -117.014 tors. eta vs tors. theta energy: -227.652 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: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2521.297190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.297190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.297190 (E_RNA) where: Base-Base interactions energy: -1708.821 where: short stacking energy: -723.010 Base-Backbone interact. energy: -6.642 local terms energy: -805.833908 where: bonds (distance) C4'-P energy: -146.261 bonds (distance) P-C4' energy: -160.108 flat angles C4'-P-C4' energy: -192.731 flat angles P-C4'-P energy: -103.281 tors. eta vs tors. theta energy: -203.454 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: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2494.583966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.583966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.583966 (E_RNA) where: Base-Base interactions energy: -1636.439 where: short stacking energy: -750.116 Base-Backbone interact. energy: -3.595 local terms energy: -854.550533 where: bonds (distance) C4'-P energy: -160.760 bonds (distance) P-C4' energy: -178.986 flat angles C4'-P-C4' energy: -191.658 flat angles P-C4'-P energy: -116.273 tors. eta vs tors. theta energy: -206.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2010.712104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.712104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.712104 (E_RNA) where: Base-Base interactions energy: -1290.337 where: short stacking energy: -578.448 Base-Backbone interact. energy: 0.322 local terms energy: -720.696960 where: bonds (distance) C4'-P energy: -145.696 bonds (distance) P-C4' energy: -169.167 flat angles C4'-P-C4' energy: -154.931 flat angles P-C4'-P energy: -107.689 tors. eta vs tors. theta energy: -143.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1396.117575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.117575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.117575 (E_RNA) where: Base-Base interactions energy: -782.972 where: short stacking energy: -437.867 Base-Backbone interact. energy: -1.903 local terms energy: -611.243033 where: bonds (distance) C4'-P energy: -157.109 bonds (distance) P-C4' energy: -163.716 flat angles C4'-P-C4' energy: -139.231 flat angles P-C4'-P energy: -100.500 tors. eta vs tors. theta energy: -50.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1276.488224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.488224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.488224 (E_RNA) where: Base-Base interactions energy: -644.518 where: short stacking energy: -357.861 Base-Backbone interact. energy: -1.487 local terms energy: -630.483393 where: bonds (distance) C4'-P energy: -155.242 bonds (distance) P-C4' energy: -178.746 flat angles C4'-P-C4' energy: -160.248 flat angles P-C4'-P energy: -68.830 tors. eta vs tors. theta energy: -67.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -885.685774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.685774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.685774 (E_RNA) where: Base-Base interactions energy: -396.020 where: short stacking energy: -261.647 Base-Backbone interact. energy: 5.177 local terms energy: -494.842440 where: bonds (distance) C4'-P energy: -135.421 bonds (distance) P-C4' energy: -148.553 flat angles C4'-P-C4' energy: -123.475 flat angles P-C4'-P energy: -89.394 tors. eta vs tors. theta energy: 2.000 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: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -749.283813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.283813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.283813 (E_RNA) where: Base-Base interactions energy: -283.780 where: short stacking energy: -196.942 Base-Backbone interact. energy: 1.820 local terms energy: -467.323606 where: bonds (distance) C4'-P energy: -133.251 bonds (distance) P-C4' energy: -165.452 flat angles C4'-P-C4' energy: -114.319 flat angles P-C4'-P energy: -79.441 tors. eta vs tors. theta energy: 25.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2994.049661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.049661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.049661 (E_RNA) where: Base-Base interactions energy: -1998.343 where: short stacking energy: -930.624 Base-Backbone interact. energy: -0.430 local terms energy: -995.275824 where: bonds (distance) C4'-P energy: -182.916 bonds (distance) P-C4' energy: -186.081 flat angles C4'-P-C4' energy: -217.248 flat angles P-C4'-P energy: -131.884 tors. eta vs tors. theta energy: -277.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2824.008369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.008369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.008369 (E_RNA) where: Base-Base interactions energy: -1898.555 where: short stacking energy: -833.442 Base-Backbone interact. energy: -0.595 local terms energy: -924.858809 where: bonds (distance) C4'-P energy: -169.743 bonds (distance) P-C4' energy: -176.685 flat angles C4'-P-C4' energy: -203.274 flat angles P-C4'-P energy: -124.661 tors. eta vs tors. theta energy: -250.495 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: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2667.467513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.467513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.467513 (E_RNA) where: Base-Base interactions energy: -1767.617 where: short stacking energy: -754.191 Base-Backbone interact. energy: 0.207 local terms energy: -900.057489 where: bonds (distance) C4'-P energy: -173.676 bonds (distance) P-C4' energy: -173.647 flat angles C4'-P-C4' energy: -199.926 flat angles P-C4'-P energy: -129.365 tors. eta vs tors. theta energy: -223.443 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: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2547.311598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.311598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.311598 (E_RNA) where: Base-Base interactions energy: -1668.926 where: short stacking energy: -705.043 Base-Backbone interact. energy: 0.708 local terms energy: -879.093277 where: bonds (distance) C4'-P energy: -182.923 bonds (distance) P-C4' energy: -169.894 flat angles C4'-P-C4' energy: -181.495 flat angles P-C4'-P energy: -138.133 tors. eta vs tors. theta energy: -206.647 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: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2469.285161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.285161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.285161 (E_RNA) where: Base-Base interactions energy: -1633.808 where: short stacking energy: -725.225 Base-Backbone interact. energy: 1.907 local terms energy: -837.383953 where: bonds (distance) C4'-P energy: -160.134 bonds (distance) P-C4' energy: -171.743 flat angles C4'-P-C4' energy: -187.044 flat angles P-C4'-P energy: -118.852 tors. eta vs tors. theta energy: -199.612 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: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2005.184879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.184879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.184879 (E_RNA) where: Base-Base interactions energy: -1301.702 where: short stacking energy: -555.443 Base-Backbone interact. energy: 5.255 local terms energy: -708.737714 where: bonds (distance) C4'-P energy: -156.105 bonds (distance) P-C4' energy: -172.458 flat angles C4'-P-C4' energy: -162.860 flat angles P-C4'-P energy: -86.341 tors. eta vs tors. theta energy: -130.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1420.328778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.328778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.328778 (E_RNA) where: Base-Base interactions energy: -771.131 where: short stacking energy: -409.641 Base-Backbone interact. energy: -0.544 local terms energy: -648.654491 where: bonds (distance) C4'-P energy: -183.511 bonds (distance) P-C4' energy: -151.787 flat angles C4'-P-C4' energy: -154.977 flat angles P-C4'-P energy: -97.747 tors. eta vs tors. theta energy: -60.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1257.956038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.956038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.956038 (E_RNA) where: Base-Base interactions energy: -671.968 where: short stacking energy: -347.136 Base-Backbone interact. energy: 1.545 local terms energy: -587.533428 where: bonds (distance) C4'-P energy: -148.073 bonds (distance) P-C4' energy: -152.667 flat angles C4'-P-C4' energy: -148.540 flat angles P-C4'-P energy: -96.245 tors. eta vs tors. theta energy: -42.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -879.195420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.195420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.195420 (E_RNA) where: Base-Base interactions energy: -419.792 where: short stacking energy: -224.226 Base-Backbone interact. energy: 0.590 local terms energy: -459.993886 where: bonds (distance) C4'-P energy: -122.022 bonds (distance) P-C4' energy: -151.477 flat angles C4'-P-C4' energy: -134.447 flat angles P-C4'-P energy: -75.298 tors. eta vs tors. theta energy: 23.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -765.764422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.764422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.764422 (E_RNA) where: Base-Base interactions energy: -328.005 where: short stacking energy: -213.903 Base-Backbone interact. energy: -1.276 local terms energy: -436.483160 where: bonds (distance) C4'-P energy: -140.204 bonds (distance) P-C4' energy: -138.156 flat angles C4'-P-C4' energy: -133.462 flat angles P-C4'-P energy: -50.183 tors. eta vs tors. theta energy: 25.522 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: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2999.350218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.350218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.350218 (E_RNA) where: Base-Base interactions energy: -2034.804 where: short stacking energy: -935.375 Base-Backbone interact. energy: -0.893 local terms energy: -963.653125 where: bonds (distance) C4'-P energy: -183.954 bonds (distance) P-C4' energy: -174.527 flat angles C4'-P-C4' energy: -208.054 flat angles P-C4'-P energy: -114.051 tors. eta vs tors. theta energy: -283.067 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: 160 Temperature: 0.950000 Total energy: -2828.014289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.014289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.014289 (E_RNA) where: Base-Base interactions energy: -1893.884 where: short stacking energy: -845.286 Base-Backbone interact. energy: -0.559 local terms energy: -933.571396 where: bonds (distance) C4'-P energy: -172.524 bonds (distance) P-C4' energy: -177.697 flat angles C4'-P-C4' energy: -200.375 flat angles P-C4'-P energy: -135.037 tors. eta vs tors. theta energy: -247.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2656.784583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.784583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.784583 (E_RNA) where: Base-Base interactions energy: -1739.579 where: short stacking energy: -793.606 Base-Backbone interact. energy: -2.206 local terms energy: -914.999530 where: bonds (distance) C4'-P energy: -180.171 bonds (distance) P-C4' energy: -175.999 flat angles C4'-P-C4' energy: -191.489 flat angles P-C4'-P energy: -139.001 tors. eta vs tors. theta energy: -228.339 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: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2578.869792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.869792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.869792 (E_RNA) where: Base-Base interactions energy: -1696.738 where: short stacking energy: -747.448 Base-Backbone interact. energy: -4.383 local terms energy: -877.748996 where: bonds (distance) C4'-P energy: -178.690 bonds (distance) P-C4' energy: -169.388 flat angles C4'-P-C4' energy: -194.586 flat angles P-C4'-P energy: -127.898 tors. eta vs tors. theta energy: -207.186 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: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2341.747486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.747486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.747486 (E_RNA) where: Base-Base interactions energy: -1553.258 where: short stacking energy: -705.806 Base-Backbone interact. energy: -1.520 local terms energy: -786.968861 where: bonds (distance) C4'-P energy: -155.905 bonds (distance) P-C4' energy: -153.240 flat angles C4'-P-C4' energy: -181.581 flat angles P-C4'-P energy: -101.826 tors. eta vs tors. theta energy: -194.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1904.406435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.406435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.406435 (E_RNA) where: Base-Base interactions energy: -1193.699 where: short stacking energy: -536.160 Base-Backbone interact. energy: 0.245 local terms energy: -710.952304 where: bonds (distance) C4'-P energy: -147.375 bonds (distance) P-C4' energy: -196.907 flat angles C4'-P-C4' energy: -155.631 flat angles P-C4'-P energy: -101.582 tors. eta vs tors. theta energy: -109.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1439.641979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.641979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.641979 (E_RNA) where: Base-Base interactions energy: -804.593 where: short stacking energy: -419.021 Base-Backbone interact. energy: 0.621 local terms energy: -635.669329 where: bonds (distance) C4'-P energy: -146.756 bonds (distance) P-C4' energy: -158.547 flat angles C4'-P-C4' energy: -164.566 flat angles P-C4'-P energy: -96.273 tors. eta vs tors. theta energy: -69.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1208.250515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.250515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.250515 (E_RNA) where: Base-Base interactions energy: -670.363 where: short stacking energy: -335.798 Base-Backbone interact. energy: 6.509 local terms energy: -544.396609 where: bonds (distance) C4'-P energy: -150.546 bonds (distance) P-C4' energy: -167.315 flat angles C4'-P-C4' energy: -115.872 flat angles P-C4'-P energy: -77.921 tors. eta vs tors. theta energy: -32.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -839.356776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.356776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.356776 (E_RNA) where: Base-Base interactions energy: -344.957 where: short stacking energy: -227.685 Base-Backbone interact. energy: -0.611 local terms energy: -493.789238 where: bonds (distance) C4'-P energy: -159.054 bonds (distance) P-C4' energy: -155.177 flat angles C4'-P-C4' energy: -124.584 flat angles P-C4'-P energy: -82.135 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: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -790.058512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.058512 (E_RNA) where: Base-Base interactions energy: -344.612 where: short stacking energy: -232.534 Base-Backbone interact. energy: 1.543 local terms energy: -446.990097 where: bonds (distance) C4'-P energy: -120.471 bonds (distance) P-C4' energy: -145.694 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -73.896 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3024.047892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.047892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.047892 (E_RNA) where: Base-Base interactions energy: -2045.060 where: short stacking energy: -926.603 Base-Backbone interact. energy: -0.133 local terms energy: -978.854035 where: bonds (distance) C4'-P energy: -185.887 bonds (distance) P-C4' energy: -185.787 flat angles C4'-P-C4' energy: -196.473 flat angles P-C4'-P energy: -131.672 tors. eta vs tors. theta energy: -279.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2813.707572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.707572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.707572 (E_RNA) where: Base-Base interactions energy: -1885.099 where: short stacking energy: -860.690 Base-Backbone interact. energy: 1.703 local terms energy: -930.311674 where: bonds (distance) C4'-P energy: -163.122 bonds (distance) P-C4' energy: -178.636 flat angles C4'-P-C4' energy: -192.762 flat angles P-C4'-P energy: -137.949 tors. eta vs tors. theta energy: -257.843 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: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2656.358300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.358300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.358300 (E_RNA) where: Base-Base interactions energy: -1815.212 where: short stacking energy: -776.099 Base-Backbone interact. energy: 5.229 local terms energy: -846.375306 where: bonds (distance) C4'-P energy: -175.600 bonds (distance) P-C4' energy: -172.872 flat angles C4'-P-C4' energy: -195.572 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -221.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2495.376944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.376944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.376944 (E_RNA) where: Base-Base interactions energy: -1630.969 where: short stacking energy: -721.926 Base-Backbone interact. energy: -4.143 local terms energy: -860.264793 where: bonds (distance) C4'-P energy: -176.945 bonds (distance) P-C4' energy: -169.258 flat angles C4'-P-C4' energy: -185.881 flat angles P-C4'-P energy: -120.007 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: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2358.707299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.707299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.707299 (E_RNA) where: Base-Base interactions energy: -1572.459 where: short stacking energy: -711.378 Base-Backbone interact. energy: -0.668 local terms energy: -785.580357 where: bonds (distance) C4'-P energy: -163.095 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -166.292 flat angles P-C4'-P energy: -110.689 tors. eta vs tors. theta energy: -191.310 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: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1926.694688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.694688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.694688 (E_RNA) where: Base-Base interactions energy: -1244.070 where: short stacking energy: -562.926 Base-Backbone interact. energy: 6.970 local terms energy: -689.595449 where: bonds (distance) C4'-P energy: -161.336 bonds (distance) P-C4' energy: -169.462 flat angles C4'-P-C4' energy: -169.088 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -92.473 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: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1417.683128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.683128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.683128 (E_RNA) where: Base-Base interactions energy: -776.453 where: short stacking energy: -400.985 Base-Backbone interact. energy: 0.958 local terms energy: -642.189085 where: bonds (distance) C4'-P energy: -153.141 bonds (distance) P-C4' energy: -176.286 flat angles C4'-P-C4' energy: -134.336 flat angles P-C4'-P energy: -101.010 tors. eta vs tors. theta energy: -77.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1161.787895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.787895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.787895 (E_RNA) where: Base-Base interactions energy: -633.428 where: short stacking energy: -353.970 Base-Backbone interact. energy: 3.023 local terms energy: -531.382380 where: bonds (distance) C4'-P energy: -129.279 bonds (distance) P-C4' energy: -152.476 flat angles C4'-P-C4' energy: -133.491 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -37.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -797.675336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.675336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.675336 (E_RNA) where: Base-Base interactions energy: -309.162 where: short stacking energy: -219.239 Base-Backbone interact. energy: -1.222 local terms energy: -487.291363 where: bonds (distance) C4'-P energy: -137.403 bonds (distance) P-C4' energy: -156.466 flat angles C4'-P-C4' energy: -141.965 flat angles P-C4'-P energy: -96.854 tors. eta vs tors. theta energy: 45.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -850.233983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.233983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.233983 (E_RNA) where: Base-Base interactions energy: -379.495 where: short stacking energy: -224.754 Base-Backbone interact. energy: 0.120 local terms energy: -470.859380 where: bonds (distance) C4'-P energy: -147.650 bonds (distance) P-C4' energy: -153.801 flat angles C4'-P-C4' energy: -114.265 flat angles P-C4'-P energy: -69.326 tors. eta vs tors. theta energy: 14.183 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2961.677662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.677662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.677662 (E_RNA) where: Base-Base interactions energy: -1983.151 where: short stacking energy: -909.207 Base-Backbone interact. energy: -0.693 local terms energy: -977.833973 where: bonds (distance) C4'-P energy: -187.703 bonds (distance) P-C4' energy: -183.905 flat angles C4'-P-C4' energy: -213.760 flat angles P-C4'-P energy: -127.522 tors. eta vs tors. theta energy: -264.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2829.805587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.805587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.805587 (E_RNA) where: Base-Base interactions energy: -1897.231 where: short stacking energy: -830.150 Base-Backbone interact. energy: -0.247 local terms energy: -932.327577 where: bonds (distance) C4'-P energy: -166.445 bonds (distance) P-C4' energy: -194.012 flat angles C4'-P-C4' energy: -199.435 flat angles P-C4'-P energy: -126.070 tors. eta vs tors. theta energy: -246.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2674.535990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.535990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.535990 (E_RNA) where: Base-Base interactions energy: -1782.516 where: short stacking energy: -792.024 Base-Backbone interact. energy: -5.588 local terms energy: -886.431402 where: bonds (distance) C4'-P energy: -170.247 bonds (distance) P-C4' energy: -168.942 flat angles C4'-P-C4' energy: -183.715 flat angles P-C4'-P energy: -135.997 tors. eta vs tors. theta energy: -227.529 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: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2539.802394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.802394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.802394 (E_RNA) where: Base-Base interactions energy: -1699.812 where: short stacking energy: -744.325 Base-Backbone interact. energy: -1.664 local terms energy: -838.326235 where: bonds (distance) C4'-P energy: -164.080 bonds (distance) P-C4' energy: -172.141 flat angles C4'-P-C4' energy: -186.859 flat angles P-C4'-P energy: -112.081 tors. eta vs tors. theta energy: -203.165 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: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2418.159127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.159127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.159127 (E_RNA) where: Base-Base interactions energy: -1617.133 where: short stacking energy: -725.469 Base-Backbone interact. energy: -4.209 local terms energy: -796.818013 where: bonds (distance) C4'-P energy: -146.990 bonds (distance) P-C4' energy: -176.847 flat angles C4'-P-C4' energy: -166.624 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -199.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2018.602749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.602749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.602749 (E_RNA) where: Base-Base interactions energy: -1323.425 where: short stacking energy: -586.845 Base-Backbone interact. energy: 1.135 local terms energy: -696.312597 where: bonds (distance) C4'-P energy: -134.223 bonds (distance) P-C4' energy: -170.645 flat angles C4'-P-C4' energy: -148.462 flat angles P-C4'-P energy: -107.894 tors. eta vs tors. theta energy: -135.089 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: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1501.732062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.732062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.732062 (E_RNA) where: Base-Base interactions energy: -900.032 where: short stacking energy: -426.848 Base-Backbone interact. energy: -0.124 local terms energy: -601.576697 where: bonds (distance) C4'-P energy: -129.732 bonds (distance) P-C4' energy: -166.891 flat angles C4'-P-C4' energy: -137.202 flat angles P-C4'-P energy: -101.830 tors. eta vs tors. theta energy: -65.922 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: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1167.406245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.406245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.406245 (E_RNA) where: Base-Base interactions energy: -605.191 where: short stacking energy: -347.353 Base-Backbone interact. energy: 4.411 local terms energy: -566.626277 where: bonds (distance) C4'-P energy: -142.773 bonds (distance) P-C4' energy: -152.389 flat angles C4'-P-C4' energy: -145.563 flat angles P-C4'-P energy: -87.727 tors. eta vs tors. theta energy: -38.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -911.728031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.728031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.728031 (E_RNA) where: Base-Base interactions energy: -419.537 where: short stacking energy: -291.090 Base-Backbone interact. energy: 3.606 local terms energy: -495.797389 where: bonds (distance) C4'-P energy: -131.090 bonds (distance) P-C4' energy: -153.775 flat angles C4'-P-C4' energy: -136.455 flat angles P-C4'-P energy: -68.311 tors. eta vs tors. theta energy: -6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -755.745170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.745170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.745170 (E_RNA) where: Base-Base interactions energy: -279.278 where: short stacking energy: -203.664 Base-Backbone interact. energy: 7.961 local terms energy: -484.428540 where: bonds (distance) C4'-P energy: -163.225 bonds (distance) P-C4' energy: -149.207 flat angles C4'-P-C4' energy: -133.655 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: 26.518 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2985.184051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.184051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.184051 (E_RNA) where: Base-Base interactions energy: -2021.538 where: short stacking energy: -905.216 Base-Backbone interact. energy: 1.930 local terms energy: -965.575509 where: bonds (distance) C4'-P energy: -169.656 bonds (distance) P-C4' energy: -191.338 flat angles C4'-P-C4' energy: -203.537 flat angles P-C4'-P energy: -125.477 tors. eta vs tors. theta energy: -275.567 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: 163 Temperature: 0.950000 Total energy: -2828.377628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.377628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.377628 (E_RNA) where: Base-Base interactions energy: -1892.411 where: short stacking energy: -826.432 Base-Backbone interact. energy: -4.231 local terms energy: -931.735263 where: bonds (distance) C4'-P energy: -183.624 bonds (distance) P-C4' energy: -173.129 flat angles C4'-P-C4' energy: -195.041 flat angles P-C4'-P energy: -135.891 tors. eta vs tors. theta energy: -244.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2678.927962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.927962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.927962 (E_RNA) where: Base-Base interactions energy: -1789.396 where: short stacking energy: -804.571 Base-Backbone interact. energy: 1.284 local terms energy: -890.816500 where: bonds (distance) C4'-P energy: -169.912 bonds (distance) P-C4' energy: -171.794 flat angles C4'-P-C4' energy: -193.550 flat angles P-C4'-P energy: -119.878 tors. eta vs tors. theta energy: -235.682 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: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2549.999350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.999350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.999350 (E_RNA) where: Base-Base interactions energy: -1708.987 where: short stacking energy: -747.258 Base-Backbone interact. energy: -0.308 local terms energy: -840.704788 where: bonds (distance) C4'-P energy: -175.782 bonds (distance) P-C4' energy: -158.127 flat angles C4'-P-C4' energy: -186.753 flat angles P-C4'-P energy: -106.553 tors. eta vs tors. theta energy: -213.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2424.493165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.493165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.493165 (E_RNA) where: Base-Base interactions energy: -1593.824 where: short stacking energy: -722.391 Base-Backbone interact. energy: -2.693 local terms energy: -827.976835 where: bonds (distance) C4'-P energy: -141.547 bonds (distance) P-C4' energy: -169.275 flat angles C4'-P-C4' energy: -195.494 flat angles P-C4'-P energy: -131.052 tors. eta vs tors. theta energy: -190.610 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: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1996.854927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.854927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.854927 (E_RNA) where: Base-Base interactions energy: -1276.496 where: short stacking energy: -570.081 Base-Backbone interact. energy: 2.758 local terms energy: -723.116501 where: bonds (distance) C4'-P energy: -161.739 bonds (distance) P-C4' energy: -162.727 flat angles C4'-P-C4' energy: -161.684 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -128.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1563.653181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.653181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.653181 (E_RNA) where: Base-Base interactions energy: -922.431 where: short stacking energy: -470.413 Base-Backbone interact. energy: -7.183 local terms energy: -634.039331 where: bonds (distance) C4'-P energy: -140.098 bonds (distance) P-C4' energy: -143.554 flat angles C4'-P-C4' energy: -152.451 flat angles P-C4'-P energy: -105.029 tors. eta vs tors. theta energy: -92.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1131.062312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.062312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.062312 (E_RNA) where: Base-Base interactions energy: -582.121 where: short stacking energy: -328.076 Base-Backbone interact. energy: -2.315 local terms energy: -546.626113 where: bonds (distance) C4'-P energy: -170.982 bonds (distance) P-C4' energy: -161.606 flat angles C4'-P-C4' energy: -137.988 flat angles P-C4'-P energy: -73.018 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -975.302984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.302984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.302984 (E_RNA) where: Base-Base interactions energy: -467.383 where: short stacking energy: -232.498 Base-Backbone interact. energy: 1.749 local terms energy: -509.669178 where: bonds (distance) C4'-P energy: -163.979 bonds (distance) P-C4' energy: -153.827 flat angles C4'-P-C4' energy: -125.642 flat angles P-C4'-P energy: -78.010 tors. eta vs tors. theta energy: 11.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -759.536727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.536727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.536727 (E_RNA) where: Base-Base interactions energy: -310.543 where: short stacking energy: -209.496 Base-Backbone interact. energy: 1.902 local terms energy: -450.895904 where: bonds (distance) C4'-P energy: -129.088 bonds (distance) P-C4' energy: -153.862 flat angles C4'-P-C4' energy: -126.930 flat angles P-C4'-P energy: -75.038 tors. eta vs tors. theta energy: 34.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2994.732467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.732467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.732467 (E_RNA) where: Base-Base interactions energy: -2007.930 where: short stacking energy: -929.463 Base-Backbone interact. energy: -2.880 local terms energy: -983.921936 where: bonds (distance) C4'-P energy: -189.345 bonds (distance) P-C4' energy: -186.203 flat angles C4'-P-C4' energy: -202.445 flat angles P-C4'-P energy: -120.850 tors. eta vs tors. theta energy: -285.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2781.348356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.348356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.348356 (E_RNA) where: Base-Base interactions energy: -1853.878 where: short stacking energy: -841.744 Base-Backbone interact. energy: -6.518 local terms energy: -920.952713 where: bonds (distance) C4'-P energy: -165.233 bonds (distance) P-C4' energy: -184.440 flat angles C4'-P-C4' energy: -188.703 flat angles P-C4'-P energy: -130.085 tors. eta vs tors. theta energy: -252.493 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: 164 Temperature: 1.000000 Total energy: -2658.594143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.594143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.594143 (E_RNA) where: Base-Base interactions energy: -1774.132 where: short stacking energy: -765.092 Base-Backbone interact. energy: -4.718 local terms energy: -879.743847 where: bonds (distance) C4'-P energy: -164.152 bonds (distance) P-C4' energy: -174.946 flat angles C4'-P-C4' energy: -181.560 flat angles P-C4'-P energy: -133.449 tors. eta vs tors. theta energy: -225.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2539.866287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.866287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.866287 (E_RNA) where: Base-Base interactions energy: -1703.106 where: short stacking energy: -744.525 Base-Backbone interact. energy: 2.016 local terms energy: -838.776258 where: bonds (distance) C4'-P energy: -159.736 bonds (distance) P-C4' energy: -165.482 flat angles C4'-P-C4' energy: -195.179 flat angles P-C4'-P energy: -109.071 tors. eta vs tors. theta energy: -209.308 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: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2392.207678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.207678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.207678 (E_RNA) where: Base-Base interactions energy: -1553.179 where: short stacking energy: -710.442 Base-Backbone interact. energy: -2.543 local terms energy: -836.485020 where: bonds (distance) C4'-P energy: -152.741 bonds (distance) P-C4' energy: -167.611 flat angles C4'-P-C4' energy: -165.233 flat angles P-C4'-P energy: -130.903 tors. eta vs tors. theta energy: -219.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1997.644031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.644031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.644031 (E_RNA) where: Base-Base interactions energy: -1282.728 where: short stacking energy: -583.293 Base-Backbone interact. energy: 0.614 local terms energy: -715.530175 where: bonds (distance) C4'-P energy: -143.869 bonds (distance) P-C4' energy: -149.569 flat angles C4'-P-C4' energy: -155.121 flat angles P-C4'-P energy: -133.195 tors. eta vs tors. theta energy: -133.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1579.603337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.603337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.603337 (E_RNA) where: Base-Base interactions energy: -925.098 where: short stacking energy: -437.745 Base-Backbone interact. energy: 0.808 local terms energy: -655.312894 where: bonds (distance) C4'-P energy: -160.041 bonds (distance) P-C4' energy: -169.428 flat angles C4'-P-C4' energy: -163.625 flat angles P-C4'-P energy: -93.695 tors. eta vs tors. theta energy: -68.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1209.491804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.491804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.491804 (E_RNA) where: Base-Base interactions energy: -658.777 where: short stacking energy: -323.517 Base-Backbone interact. energy: -0.508 local terms energy: -550.206303 where: bonds (distance) C4'-P energy: -147.716 bonds (distance) P-C4' energy: -169.109 flat angles C4'-P-C4' energy: -136.842 flat angles P-C4'-P energy: -80.534 tors. eta vs tors. theta energy: -16.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -918.902591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.902591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.902591 (E_RNA) where: Base-Base interactions energy: -452.848 where: short stacking energy: -239.272 Base-Backbone interact. energy: -1.833 local terms energy: -464.222523 where: bonds (distance) C4'-P energy: -144.938 bonds (distance) P-C4' energy: -142.844 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: 12.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -771.711833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.711833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.711833 (E_RNA) where: Base-Base interactions energy: -284.632 where: short stacking energy: -194.913 Base-Backbone interact. energy: -1.521 local terms energy: -485.558586 where: bonds (distance) C4'-P energy: -132.865 bonds (distance) P-C4' energy: -159.087 flat angles C4'-P-C4' energy: -128.306 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: 33.083 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: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2965.040744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.040744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.040744 (E_RNA) where: Base-Base interactions energy: -1978.773 where: short stacking energy: -881.056 Base-Backbone interact. energy: -2.647 local terms energy: -983.620210 where: bonds (distance) C4'-P energy: -179.921 bonds (distance) P-C4' energy: -180.229 flat angles C4'-P-C4' energy: -208.885 flat angles P-C4'-P energy: -151.544 tors. eta vs tors. theta energy: -263.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2796.376597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.376597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.376597 (E_RNA) where: Base-Base interactions energy: -1877.930 where: short stacking energy: -826.910 Base-Backbone interact. energy: -0.693 local terms energy: -917.753234 where: bonds (distance) C4'-P energy: -178.960 bonds (distance) P-C4' energy: -181.627 flat angles C4'-P-C4' energy: -203.155 flat angles P-C4'-P energy: -115.460 tors. eta vs tors. theta energy: -238.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2638.113479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.113479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.113479 (E_RNA) where: Base-Base interactions energy: -1720.769 where: short stacking energy: -754.284 Base-Backbone interact. energy: -5.449 local terms energy: -911.895546 where: bonds (distance) C4'-P energy: -174.218 bonds (distance) P-C4' energy: -178.832 flat angles C4'-P-C4' energy: -194.856 flat angles P-C4'-P energy: -142.485 tors. eta vs tors. theta energy: -221.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2531.378133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.378133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.378133 (E_RNA) where: Base-Base interactions energy: -1676.069 where: short stacking energy: -752.975 Base-Backbone interact. energy: -3.829 local terms energy: -851.480706 where: bonds (distance) C4'-P energy: -160.685 bonds (distance) P-C4' energy: -170.896 flat angles C4'-P-C4' energy: -191.006 flat angles P-C4'-P energy: -109.986 tors. eta vs tors. theta energy: -218.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2473.597968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.597968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.597968 (E_RNA) where: Base-Base interactions energy: -1618.972 where: short stacking energy: -761.504 Base-Backbone interact. energy: -1.638 local terms energy: -852.988460 where: bonds (distance) C4'-P energy: -156.519 bonds (distance) P-C4' energy: -160.311 flat angles C4'-P-C4' energy: -181.767 flat angles P-C4'-P energy: -129.887 tors. eta vs tors. theta energy: -224.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1995.778306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.778306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.778306 (E_RNA) where: Base-Base interactions energy: -1278.218 where: short stacking energy: -607.543 Base-Backbone interact. energy: -3.223 local terms energy: -714.338040 where: bonds (distance) C4'-P energy: -131.454 bonds (distance) P-C4' energy: -161.713 flat angles C4'-P-C4' energy: -170.314 flat angles P-C4'-P energy: -108.313 tors. eta vs tors. theta energy: -142.544 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: 165 Temperature: 1.200000 Total energy: -1603.247793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.247793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.247793 (E_RNA) where: Base-Base interactions energy: -945.592 where: short stacking energy: -525.082 Base-Backbone interact. energy: -0.191 local terms energy: -657.465158 where: bonds (distance) C4'-P energy: -132.788 bonds (distance) P-C4' energy: -167.329 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -82.720 tors. eta vs tors. theta energy: -119.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1238.363481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.363481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.363481 (E_RNA) where: Base-Base interactions energy: -688.506 where: short stacking energy: -344.784 Base-Backbone interact. energy: -0.237 local terms energy: -549.620370 where: bonds (distance) C4'-P energy: -158.503 bonds (distance) P-C4' energy: -149.222 flat angles C4'-P-C4' energy: -137.930 flat angles P-C4'-P energy: -76.270 tors. eta vs tors. theta energy: -27.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -953.792436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.792436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.792436 (E_RNA) where: Base-Base interactions energy: -467.586 where: short stacking energy: -250.362 Base-Backbone interact. energy: -0.590 local terms energy: -485.616629 where: bonds (distance) C4'-P energy: -147.482 bonds (distance) P-C4' energy: -156.882 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -73.979 tors. eta vs tors. theta energy: 14.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -745.849140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.849140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.849140 (E_RNA) where: Base-Base interactions energy: -284.004 where: short stacking energy: -168.931 Base-Backbone interact. energy: 3.018 local terms energy: -464.863598 where: bonds (distance) C4'-P energy: -152.675 bonds (distance) P-C4' energy: -148.243 flat angles C4'-P-C4' energy: -102.125 flat angles P-C4'-P energy: -105.251 tors. eta vs tors. theta energy: 43.431 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: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2997.304973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.304973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.304973 (E_RNA) where: Base-Base interactions energy: -2004.106 where: short stacking energy: -893.411 Base-Backbone interact. energy: -2.312 local terms energy: -990.886560 where: bonds (distance) C4'-P energy: -191.727 bonds (distance) P-C4' energy: -181.566 flat angles C4'-P-C4' energy: -209.890 flat angles P-C4'-P energy: -135.782 tors. eta vs tors. theta energy: -271.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2827.926196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.926196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.926196 (E_RNA) where: Base-Base interactions energy: -1887.705 where: short stacking energy: -881.965 Base-Backbone interact. energy: -5.153 local terms energy: -935.068433 where: bonds (distance) C4'-P energy: -195.230 bonds (distance) P-C4' energy: -154.635 flat angles C4'-P-C4' energy: -210.356 flat angles P-C4'-P energy: -121.041 tors. eta vs tors. theta energy: -253.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2616.423747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.423747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.423747 (E_RNA) where: Base-Base interactions energy: -1734.817 where: short stacking energy: -769.688 Base-Backbone interact. energy: -2.391 local terms energy: -879.214931 where: bonds (distance) C4'-P energy: -167.980 bonds (distance) P-C4' energy: -168.900 flat angles C4'-P-C4' energy: -184.749 flat angles P-C4'-P energy: -129.892 tors. eta vs tors. theta energy: -227.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2505.739222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.739222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.739222 (E_RNA) where: Base-Base interactions energy: -1640.242 where: short stacking energy: -746.984 Base-Backbone interact. energy: 0.795 local terms energy: -866.291731 where: bonds (distance) C4'-P energy: -157.468 bonds (distance) P-C4' energy: -171.905 flat angles C4'-P-C4' energy: -189.078 flat angles P-C4'-P energy: -125.790 tors. eta vs tors. theta energy: -222.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2487.726186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.726186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.726186 (E_RNA) where: Base-Base interactions energy: -1640.708 where: short stacking energy: -755.410 Base-Backbone interact. energy: 1.374 local terms energy: -848.392864 where: bonds (distance) C4'-P energy: -171.911 bonds (distance) P-C4' energy: -158.593 flat angles C4'-P-C4' energy: -185.975 flat angles P-C4'-P energy: -106.623 tors. eta vs tors. theta energy: -225.291 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: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1964.626447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.626447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.626447 (E_RNA) where: Base-Base interactions energy: -1264.493 where: short stacking energy: -563.011 Base-Backbone interact. energy: -1.560 local terms energy: -698.573484 where: bonds (distance) C4'-P energy: -158.252 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -165.137 flat angles P-C4'-P energy: -110.274 tors. eta vs tors. theta energy: -111.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1569.976857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.976857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.976857 (E_RNA) where: Base-Base interactions energy: -917.515 where: short stacking energy: -454.237 Base-Backbone interact. energy: -0.984 local terms energy: -651.477228 where: bonds (distance) C4'-P energy: -140.056 bonds (distance) P-C4' energy: -159.319 flat angles C4'-P-C4' energy: -162.396 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -96.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1177.559845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.559845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.559845 (E_RNA) where: Base-Base interactions energy: -620.476 where: short stacking energy: -346.082 Base-Backbone interact. energy: 1.102 local terms energy: -558.185613 where: bonds (distance) C4'-P energy: -135.623 bonds (distance) P-C4' energy: -157.115 flat angles C4'-P-C4' energy: -129.510 flat angles P-C4'-P energy: -96.712 tors. eta vs tors. theta energy: -39.226 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: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -932.254524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.254524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.254524 (E_RNA) where: Base-Base interactions energy: -430.509 where: short stacking energy: -262.355 Base-Backbone interact. energy: 9.096 local terms energy: -510.841638 where: bonds (distance) C4'-P energy: -135.884 bonds (distance) P-C4' energy: -154.348 flat angles C4'-P-C4' energy: -116.817 flat angles P-C4'-P energy: -90.689 tors. eta vs tors. theta energy: -13.104 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: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -717.493633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.493633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.493633 (E_RNA) where: Base-Base interactions energy: -270.932 where: short stacking energy: -159.262 Base-Backbone interact. energy: -1.004 local terms energy: -445.557886 where: bonds (distance) C4'-P energy: -148.634 bonds (distance) P-C4' energy: -140.677 flat angles C4'-P-C4' energy: -111.538 flat angles P-C4'-P energy: -76.888 tors. eta vs tors. theta energy: 32.179 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: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2977.252201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.252201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.252201 (E_RNA) where: Base-Base interactions energy: -1990.651 where: short stacking energy: -916.929 Base-Backbone interact. energy: -1.249 local terms energy: -985.352207 where: bonds (distance) C4'-P energy: -171.460 bonds (distance) P-C4' energy: -183.212 flat angles C4'-P-C4' energy: -210.954 flat angles P-C4'-P energy: -139.891 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: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2814.302448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.302448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.302448 (E_RNA) where: Base-Base interactions energy: -1894.436 where: short stacking energy: -866.631 Base-Backbone interact. energy: -2.366 local terms energy: -917.500577 where: bonds (distance) C4'-P energy: -156.263 bonds (distance) P-C4' energy: -180.077 flat angles C4'-P-C4' energy: -202.330 flat angles P-C4'-P energy: -122.206 tors. eta vs tors. theta energy: -256.625 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: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2627.641820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.641820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.641820 (E_RNA) where: Base-Base interactions energy: -1737.399 where: short stacking energy: -780.293 Base-Backbone interact. energy: -2.745 local terms energy: -887.497215 where: bonds (distance) C4'-P energy: -176.910 bonds (distance) P-C4' energy: -166.914 flat angles C4'-P-C4' energy: -205.692 flat angles P-C4'-P energy: -121.817 tors. eta vs tors. theta energy: -216.165 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: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2491.972251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.972251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.972251 (E_RNA) where: Base-Base interactions energy: -1693.952 where: short stacking energy: -750.396 Base-Backbone interact. energy: -3.717 local terms energy: -794.303448 where: bonds (distance) C4'-P energy: -148.410 bonds (distance) P-C4' energy: -168.428 flat angles C4'-P-C4' energy: -172.992 flat angles P-C4'-P energy: -110.256 tors. eta vs tors. theta energy: -194.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2504.604582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.604582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.604582 (E_RNA) where: Base-Base interactions energy: -1647.206 where: short stacking energy: -760.239 Base-Backbone interact. energy: -2.761 local terms energy: -854.637900 where: bonds (distance) C4'-P energy: -153.588 bonds (distance) P-C4' energy: -175.988 flat angles C4'-P-C4' energy: -185.592 flat angles P-C4'-P energy: -126.353 tors. eta vs tors. theta energy: -213.117 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: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1969.880213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.880213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.880213 (E_RNA) where: Base-Base interactions energy: -1238.795 where: short stacking energy: -595.456 Base-Backbone interact. energy: 1.186 local terms energy: -732.270912 where: bonds (distance) C4'-P energy: -168.690 bonds (distance) P-C4' energy: -162.049 flat angles C4'-P-C4' energy: -168.560 flat angles P-C4'-P energy: -86.588 tors. eta vs tors. theta energy: -146.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1599.183672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.183672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.183672 (E_RNA) where: Base-Base interactions energy: -931.895 where: short stacking energy: -475.634 Base-Backbone interact. energy: 4.645 local terms energy: -671.933630 where: bonds (distance) C4'-P energy: -161.903 bonds (distance) P-C4' energy: -173.532 flat angles C4'-P-C4' energy: -153.922 flat angles P-C4'-P energy: -94.184 tors. eta vs tors. theta energy: -88.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1081.351276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.351276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.351276 (E_RNA) where: Base-Base interactions energy: -551.968 where: short stacking energy: -270.847 Base-Backbone interact. energy: 0.871 local terms energy: -530.254691 where: bonds (distance) C4'-P energy: -157.923 bonds (distance) P-C4' energy: -160.383 flat angles C4'-P-C4' energy: -127.026 flat angles P-C4'-P energy: -82.944 tors. eta vs tors. theta energy: -1.978 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: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -957.979577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.979577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.979577 (E_RNA) where: Base-Base interactions energy: -470.077 where: short stacking energy: -262.920 Base-Backbone interact. energy: 1.693 local terms energy: -489.595538 where: bonds (distance) C4'-P energy: -139.311 bonds (distance) P-C4' energy: -156.314 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -73.539 tors. eta vs tors. theta energy: 3.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -749.274354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.274354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.274354 (E_RNA) where: Base-Base interactions energy: -279.745 where: short stacking energy: -193.702 Base-Backbone interact. energy: -0.790 local terms energy: -468.739395 where: bonds (distance) C4'-P energy: -139.582 bonds (distance) P-C4' energy: -165.693 flat angles C4'-P-C4' energy: -115.762 flat angles P-C4'-P energy: -64.158 tors. eta vs tors. theta energy: 16.456 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: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2982.490844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.490844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.490844 (E_RNA) where: Base-Base interactions energy: -1961.523 where: short stacking energy: -906.910 Base-Backbone interact. energy: -3.810 local terms energy: -1017.157827 where: bonds (distance) C4'-P energy: -184.306 bonds (distance) P-C4' energy: -198.187 flat angles C4'-P-C4' energy: -216.200 flat angles P-C4'-P energy: -148.607 tors. eta vs tors. theta energy: -269.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2844.331569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.331569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.331569 (E_RNA) where: Base-Base interactions energy: -1899.683 where: short stacking energy: -876.709 Base-Backbone interact. energy: -1.243 local terms energy: -943.406099 where: bonds (distance) C4'-P energy: -167.905 bonds (distance) P-C4' energy: -187.886 flat angles C4'-P-C4' energy: -197.517 flat angles P-C4'-P energy: -132.012 tors. eta vs tors. theta energy: -258.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2648.458021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.458021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.458021 (E_RNA) where: Base-Base interactions energy: -1738.889 where: short stacking energy: -762.405 Base-Backbone interact. energy: -3.030 local terms energy: -906.538817 where: bonds (distance) C4'-P energy: -175.273 bonds (distance) P-C4' energy: -191.205 flat angles C4'-P-C4' energy: -192.466 flat angles P-C4'-P energy: -126.889 tors. eta vs tors. theta energy: -220.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2510.684333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.684333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.684333 (E_RNA) where: Base-Base interactions energy: -1674.741 where: short stacking energy: -728.906 Base-Backbone interact. energy: -3.302 local terms energy: -832.641149 where: bonds (distance) C4'-P energy: -163.602 bonds (distance) P-C4' energy: -165.308 flat angles C4'-P-C4' energy: -184.843 flat angles P-C4'-P energy: -127.377 tors. eta vs tors. theta energy: -191.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2481.095030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.095030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.095030 (E_RNA) where: Base-Base interactions energy: -1613.316 where: short stacking energy: -726.962 Base-Backbone interact. energy: 0.772 local terms energy: -868.550738 where: bonds (distance) C4'-P energy: -157.423 bonds (distance) P-C4' energy: -185.363 flat angles C4'-P-C4' energy: -196.771 flat angles P-C4'-P energy: -117.109 tors. eta vs tors. theta energy: -211.884 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: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1941.617970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.617970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.617970 (E_RNA) where: Base-Base interactions energy: -1227.254 where: short stacking energy: -540.358 Base-Backbone interact. energy: -1.625 local terms energy: -712.738909 where: bonds (distance) C4'-P energy: -151.477 bonds (distance) P-C4' energy: -152.480 flat angles C4'-P-C4' energy: -176.124 flat angles P-C4'-P energy: -105.832 tors. eta vs tors. theta energy: -126.826 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: 168 Temperature: 1.200000 Total energy: -1608.496533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.496533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.496533 (E_RNA) where: Base-Base interactions energy: -940.220 where: short stacking energy: -481.242 Base-Backbone interact. energy: 4.218 local terms energy: -672.495029 where: bonds (distance) C4'-P energy: -158.537 bonds (distance) P-C4' energy: -162.475 flat angles C4'-P-C4' energy: -154.624 flat angles P-C4'-P energy: -93.001 tors. eta vs tors. theta energy: -103.858 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1058.465569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.465569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.465569 (E_RNA) where: Base-Base interactions energy: -541.609 where: short stacking energy: -315.342 Base-Backbone interact. energy: 9.675 local terms energy: -526.531524 where: bonds (distance) C4'-P energy: -144.855 bonds (distance) P-C4' energy: -156.748 flat angles C4'-P-C4' energy: -149.078 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: -8.744 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: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -955.638253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.638253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.638253 (E_RNA) where: Base-Base interactions energy: -488.910 where: short stacking energy: -264.556 Base-Backbone interact. energy: 3.875 local terms energy: -470.602716 where: bonds (distance) C4'-P energy: -144.185 bonds (distance) P-C4' energy: -134.460 flat angles C4'-P-C4' energy: -142.202 flat angles P-C4'-P energy: -76.188 tors. eta vs tors. theta energy: 26.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -750.474349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.474349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.474349 (E_RNA) where: Base-Base interactions energy: -277.638 where: short stacking energy: -175.407 Base-Backbone interact. energy: 4.770 local terms energy: -477.606710 where: bonds (distance) C4'-P energy: -128.076 bonds (distance) P-C4' energy: -155.274 flat angles C4'-P-C4' energy: -137.374 flat angles P-C4'-P energy: -94.656 tors. eta vs tors. theta energy: 37.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3031.500209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.500209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.500209 (E_RNA) where: Base-Base interactions energy: -2036.857 where: short stacking energy: -905.154 Base-Backbone interact. energy: -6.494 local terms energy: -988.148895 where: bonds (distance) C4'-P energy: -169.641 bonds (distance) P-C4' energy: -189.172 flat angles C4'-P-C4' energy: -216.134 flat angles P-C4'-P energy: -135.412 tors. eta vs tors. theta energy: -277.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2869.693833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.693833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.693833 (E_RNA) where: Base-Base interactions energy: -1947.901 where: short stacking energy: -882.550 Base-Backbone interact. energy: 4.101 local terms energy: -925.894166 where: bonds (distance) C4'-P energy: -183.512 bonds (distance) P-C4' energy: -166.401 flat angles C4'-P-C4' energy: -196.526 flat angles P-C4'-P energy: -116.137 tors. eta vs tors. theta energy: -263.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2636.675862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.675862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.675862 (E_RNA) where: Base-Base interactions energy: -1736.921 where: short stacking energy: -787.319 Base-Backbone interact. energy: -1.815 local terms energy: -897.940098 where: bonds (distance) C4'-P energy: -180.206 bonds (distance) P-C4' energy: -178.637 flat angles C4'-P-C4' energy: -194.188 flat angles P-C4'-P energy: -122.018 tors. eta vs tors. theta energy: -222.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2521.387884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.387884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.387884 (E_RNA) where: Base-Base interactions energy: -1635.561 where: short stacking energy: -771.565 Base-Backbone interact. energy: 4.761 local terms energy: -890.587838 where: bonds (distance) C4'-P energy: -172.246 bonds (distance) P-C4' energy: -166.351 flat angles C4'-P-C4' energy: -189.622 flat angles P-C4'-P energy: -127.388 tors. eta vs tors. theta energy: -234.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2362.037752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.037752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.037752 (E_RNA) where: Base-Base interactions energy: -1554.984 where: short stacking energy: -658.684 Base-Backbone interact. energy: 1.389 local terms energy: -808.442323 where: bonds (distance) C4'-P energy: -174.259 bonds (distance) P-C4' energy: -166.872 flat angles C4'-P-C4' energy: -185.696 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -172.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1963.758294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.758294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.758294 (E_RNA) where: Base-Base interactions energy: -1245.510 where: short stacking energy: -579.885 Base-Backbone interact. energy: 2.920 local terms energy: -721.168004 where: bonds (distance) C4'-P energy: -174.629 bonds (distance) P-C4' energy: -169.418 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -81.996 tors. eta vs tors. theta energy: -144.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1529.400227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.400227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.400227 (E_RNA) where: Base-Base interactions energy: -897.618 where: short stacking energy: -441.357 Base-Backbone interact. energy: 0.631 local terms energy: -632.413704 where: bonds (distance) C4'-P energy: -153.635 bonds (distance) P-C4' energy: -156.862 flat angles C4'-P-C4' energy: -158.195 flat angles P-C4'-P energy: -91.972 tors. eta vs tors. theta energy: -71.750 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: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1148.570822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.570822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.570822 (E_RNA) where: Base-Base interactions energy: -563.754 where: short stacking energy: -334.667 Base-Backbone interact. energy: 6.898 local terms energy: -591.714258 where: bonds (distance) C4'-P energy: -170.803 bonds (distance) P-C4' energy: -167.845 flat angles C4'-P-C4' energy: -160.806 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1080.504954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.504954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.504954 (E_RNA) where: Base-Base interactions energy: -551.934 where: short stacking energy: -282.534 Base-Backbone interact. energy: -2.119 local terms energy: -526.451184 where: bonds (distance) C4'-P energy: -143.698 bonds (distance) P-C4' energy: -164.705 flat angles C4'-P-C4' energy: -149.648 flat angles P-C4'-P energy: -56.319 tors. eta vs tors. theta energy: -12.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -759.707473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.707473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.707473 (E_RNA) where: Base-Base interactions energy: -286.970 where: short stacking energy: -225.211 Base-Backbone interact. energy: 3.620 local terms energy: -476.358053 where: bonds (distance) C4'-P energy: -143.834 bonds (distance) P-C4' energy: -144.871 flat angles C4'-P-C4' energy: -120.528 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: 15.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3020.401665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.401665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.401665 (E_RNA) where: Base-Base interactions energy: -2041.672 where: short stacking energy: -892.351 Base-Backbone interact. energy: -3.590 local terms energy: -975.139579 where: bonds (distance) C4'-P energy: -176.700 bonds (distance) P-C4' energy: -191.940 flat angles C4'-P-C4' energy: -207.651 flat angles P-C4'-P energy: -129.258 tors. eta vs tors. theta energy: -269.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2780.993491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.993491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.993491 (E_RNA) where: Base-Base interactions energy: -1871.732 where: short stacking energy: -829.771 Base-Backbone interact. energy: -3.391 local terms energy: -905.870736 where: bonds (distance) C4'-P energy: -164.653 bonds (distance) P-C4' energy: -186.946 flat angles C4'-P-C4' energy: -182.564 flat angles P-C4'-P energy: -131.652 tors. eta vs tors. theta energy: -240.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2629.139339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.139339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.139339 (E_RNA) where: Base-Base interactions energy: -1762.802 where: short stacking energy: -776.781 Base-Backbone interact. energy: -4.092 local terms energy: -862.245460 where: bonds (distance) C4'-P energy: -160.047 bonds (distance) P-C4' energy: -162.463 flat angles C4'-P-C4' energy: -193.548 flat angles P-C4'-P energy: -122.951 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: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2558.101735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.101735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.101735 (E_RNA) where: Base-Base interactions energy: -1702.604 where: short stacking energy: -775.314 Base-Backbone interact. energy: -0.577 local terms energy: -854.920971 where: bonds (distance) C4'-P energy: -136.720 bonds (distance) P-C4' energy: -188.397 flat angles C4'-P-C4' energy: -185.176 flat angles P-C4'-P energy: -140.910 tors. eta vs tors. theta energy: -203.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2302.013935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.013935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.013935 (E_RNA) where: Base-Base interactions energy: -1512.097 where: short stacking energy: -675.313 Base-Backbone interact. energy: -2.649 local terms energy: -787.268347 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -181.880 flat angles C4'-P-C4' energy: -165.863 flat angles P-C4'-P energy: -115.872 tors. eta vs tors. theta energy: -176.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1959.328095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.328095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.328095 (E_RNA) where: Base-Base interactions energy: -1241.669 where: short stacking energy: -577.084 Base-Backbone interact. energy: -2.361 local terms energy: -715.297818 where: bonds (distance) C4'-P energy: -153.166 bonds (distance) P-C4' energy: -172.757 flat angles C4'-P-C4' energy: -150.983 flat angles P-C4'-P energy: -112.587 tors. eta vs tors. theta energy: -125.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1489.008555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.008555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.008555 (E_RNA) where: Base-Base interactions energy: -891.389 where: short stacking energy: -413.154 Base-Backbone interact. energy: 0.907 local terms energy: -598.526232 where: bonds (distance) C4'-P energy: -144.985 bonds (distance) P-C4' energy: -159.387 flat angles C4'-P-C4' energy: -140.246 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -49.869 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: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1022.680948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.680948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.680948 (E_RNA) where: Base-Base interactions energy: -515.186 where: short stacking energy: -294.341 Base-Backbone interact. energy: 2.520 local terms energy: -510.015658 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -161.236 flat angles C4'-P-C4' energy: -116.299 flat angles P-C4'-P energy: -89.665 tors. eta vs tors. theta energy: -7.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1078.784603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.784603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.784603 (E_RNA) where: Base-Base interactions energy: -584.937 where: short stacking energy: -299.231 Base-Backbone interact. energy: 0.766 local terms energy: -494.613617 where: bonds (distance) C4'-P energy: -144.429 bonds (distance) P-C4' energy: -148.667 flat angles C4'-P-C4' energy: -127.479 flat angles P-C4'-P energy: -72.510 tors. eta vs tors. theta energy: -1.528 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: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -746.125196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.125196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.125196 (E_RNA) where: Base-Base interactions energy: -275.686 where: short stacking energy: -217.898 Base-Backbone interact. energy: 4.348 local terms energy: -474.787278 where: bonds (distance) C4'-P energy: -154.152 bonds (distance) P-C4' energy: -155.062 flat angles C4'-P-C4' energy: -115.570 flat angles P-C4'-P energy: -73.858 tors. eta vs tors. theta energy: 23.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3005.704777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.704777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.704777 (E_RNA) where: Base-Base interactions energy: -1997.210 where: short stacking energy: -916.849 Base-Backbone interact. energy: -0.099 local terms energy: -1008.396509 where: bonds (distance) C4'-P energy: -195.470 bonds (distance) P-C4' energy: -183.472 flat angles C4'-P-C4' energy: -216.515 flat angles P-C4'-P energy: -143.374 tors. eta vs tors. theta energy: -269.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2818.390818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.390818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.390818 (E_RNA) where: Base-Base interactions energy: -1908.496 where: short stacking energy: -862.771 Base-Backbone interact. energy: -2.488 local terms energy: -907.406939 where: bonds (distance) C4'-P energy: -175.833 bonds (distance) P-C4' energy: -174.181 flat angles C4'-P-C4' energy: -178.715 flat angles P-C4'-P energy: -127.789 tors. eta vs tors. theta energy: -250.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2692.413019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.413019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.413019 (E_RNA) where: Base-Base interactions energy: -1789.210 where: short stacking energy: -808.859 Base-Backbone interact. energy: -2.463 local terms energy: -900.739707 where: bonds (distance) C4'-P energy: -166.085 bonds (distance) P-C4' energy: -183.165 flat angles C4'-P-C4' energy: -201.837 flat angles P-C4'-P energy: -105.298 tors. eta vs tors. theta energy: -244.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2564.303957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.303957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.303957 (E_RNA) where: Base-Base interactions energy: -1672.041 where: short stacking energy: -795.930 Base-Backbone interact. energy: -1.673 local terms energy: -890.590474 where: bonds (distance) C4'-P energy: -186.613 bonds (distance) P-C4' energy: -163.026 flat angles C4'-P-C4' energy: -190.018 flat angles P-C4'-P energy: -120.110 tors. eta vs tors. theta energy: -230.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2278.740302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.740302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.740302 (E_RNA) where: Base-Base interactions energy: -1483.498 where: short stacking energy: -662.728 Base-Backbone interact. energy: -3.321 local terms energy: -791.920424 where: bonds (distance) C4'-P energy: -142.130 bonds (distance) P-C4' energy: -173.655 flat angles C4'-P-C4' energy: -189.071 flat angles P-C4'-P energy: -105.485 tors. eta vs tors. theta energy: -181.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1921.427629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.427629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.427629 (E_RNA) where: Base-Base interactions energy: -1198.185 where: short stacking energy: -539.055 Base-Backbone interact. energy: -1.220 local terms energy: -722.022616 where: bonds (distance) C4'-P energy: -152.902 bonds (distance) P-C4' energy: -190.775 flat angles C4'-P-C4' energy: -176.338 flat angles P-C4'-P energy: -85.694 tors. eta vs tors. theta energy: -116.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1489.470755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.470755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.470755 (E_RNA) where: Base-Base interactions energy: -873.004 where: short stacking energy: -423.479 Base-Backbone interact. energy: -0.787 local terms energy: -615.680127 where: bonds (distance) C4'-P energy: -158.804 bonds (distance) P-C4' energy: -162.619 flat angles C4'-P-C4' energy: -156.454 flat angles P-C4'-P energy: -85.445 tors. eta vs tors. theta energy: -52.359 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1146.152149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.152149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.152149 (E_RNA) where: Base-Base interactions energy: -611.733 where: short stacking energy: -310.679 Base-Backbone interact. energy: 3.698 local terms energy: -538.117099 where: bonds (distance) C4'-P energy: -155.773 bonds (distance) P-C4' energy: -162.569 flat angles C4'-P-C4' energy: -127.437 flat angles P-C4'-P energy: -84.637 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -922.181066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.181066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.181066 (E_RNA) where: Base-Base interactions energy: -425.513 where: short stacking energy: -224.853 Base-Backbone interact. energy: 6.907 local terms energy: -503.575016 where: bonds (distance) C4'-P energy: -157.088 bonds (distance) P-C4' energy: -150.092 flat angles C4'-P-C4' energy: -134.459 flat angles P-C4'-P energy: -72.202 tors. eta vs tors. theta energy: 10.266 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: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -732.270132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.270132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.270132 (E_RNA) where: Base-Base interactions energy: -294.145 where: short stacking energy: -212.068 Base-Backbone interact. energy: 0.427 local terms energy: -438.551940 where: bonds (distance) C4'-P energy: -123.493 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -94.721 flat angles P-C4'-P energy: -75.090 tors. eta vs tors. theta energy: 11.072 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: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3010.533618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.533618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.533618 (E_RNA) where: Base-Base interactions energy: -2040.547 where: short stacking energy: -924.259 Base-Backbone interact. energy: 4.267 local terms energy: -974.254375 where: bonds (distance) C4'-P energy: -167.250 bonds (distance) P-C4' energy: -191.509 flat angles C4'-P-C4' energy: -200.051 flat angles P-C4'-P energy: -136.735 tors. eta vs tors. theta energy: -278.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2815.356271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.356271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.356271 (E_RNA) where: Base-Base interactions energy: -1902.036 where: short stacking energy: -830.590 Base-Backbone interact. energy: -3.286 local terms energy: -910.033954 where: bonds (distance) C4'-P energy: -166.967 bonds (distance) P-C4' energy: -175.196 flat angles C4'-P-C4' energy: -205.638 flat angles P-C4'-P energy: -123.846 tors. eta vs tors. theta energy: -238.387 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: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2624.691902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.691902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.691902 (E_RNA) where: Base-Base interactions energy: -1762.853 where: short stacking energy: -794.600 Base-Backbone interact. energy: -6.798 local terms energy: -855.041058 where: bonds (distance) C4'-P energy: -160.463 bonds (distance) P-C4' energy: -181.475 flat angles C4'-P-C4' energy: -169.509 flat angles P-C4'-P energy: -119.891 tors. eta vs tors. theta energy: -223.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2534.859667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.859667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.859667 (E_RNA) where: Base-Base interactions energy: -1684.816 where: short stacking energy: -781.681 Base-Backbone interact. energy: -5.437 local terms energy: -844.606231 where: bonds (distance) C4'-P energy: -166.573 bonds (distance) P-C4' energy: -165.921 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -110.947 tors. eta vs tors. theta energy: -217.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2265.878211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.878211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.878211 (E_RNA) where: Base-Base interactions energy: -1499.996 where: short stacking energy: -658.947 Base-Backbone interact. energy: 1.461 local terms energy: -767.343258 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -161.387 flat angles C4'-P-C4' energy: -189.514 flat angles P-C4'-P energy: -101.152 tors. eta vs tors. theta energy: -179.818 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: 172 Temperature: 1.150000 Total energy: -2001.760582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.760582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.760582 (E_RNA) where: Base-Base interactions energy: -1226.921 where: short stacking energy: -595.130 Base-Backbone interact. energy: 1.064 local terms energy: -775.903459 where: bonds (distance) C4'-P energy: -181.912 bonds (distance) P-C4' energy: -181.821 flat angles C4'-P-C4' energy: -159.273 flat angles P-C4'-P energy: -98.933 tors. eta vs tors. theta energy: -153.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1553.313152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.313152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.313152 (E_RNA) where: Base-Base interactions energy: -927.797 where: short stacking energy: -477.212 Base-Backbone interact. energy: -1.191 local terms energy: -624.324307 where: bonds (distance) C4'-P energy: -139.707 bonds (distance) P-C4' energy: -150.494 flat angles C4'-P-C4' energy: -165.568 flat angles P-C4'-P energy: -90.250 tors. eta vs tors. theta energy: -78.305 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: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1127.116536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.116536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.116536 (E_RNA) where: Base-Base interactions energy: -558.380 where: short stacking energy: -317.867 Base-Backbone interact. energy: -2.247 local terms energy: -566.489251 where: bonds (distance) C4'-P energy: -144.112 bonds (distance) P-C4' energy: -156.706 flat angles C4'-P-C4' energy: -136.693 flat angles P-C4'-P energy: -95.127 tors. eta vs tors. theta energy: -33.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -920.338450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.338450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.338450 (E_RNA) where: Base-Base interactions energy: -434.147 where: short stacking energy: -287.156 Base-Backbone interact. energy: 5.732 local terms energy: -491.923098 where: bonds (distance) C4'-P energy: -146.755 bonds (distance) P-C4' energy: -157.607 flat angles C4'-P-C4' energy: -122.780 flat angles P-C4'-P energy: -65.976 tors. eta vs tors. theta energy: 1.195 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: 172 Temperature: 1.350000 Total energy: -722.974395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.974395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.974395 (E_RNA) where: Base-Base interactions energy: -275.699 where: short stacking energy: -195.007 Base-Backbone interact. energy: 7.236 local terms energy: -454.511795 where: bonds (distance) C4'-P energy: -134.403 bonds (distance) P-C4' energy: -151.429 flat angles C4'-P-C4' energy: -122.095 flat angles P-C4'-P energy: -83.933 tors. eta vs tors. theta energy: 37.349 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: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3013.336850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.336850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.336850 (E_RNA) where: Base-Base interactions energy: -2012.525 where: short stacking energy: -894.875 Base-Backbone interact. energy: -2.011 local terms energy: -998.800670 where: bonds (distance) C4'-P energy: -189.053 bonds (distance) P-C4' energy: -192.189 flat angles C4'-P-C4' energy: -205.563 flat angles P-C4'-P energy: -145.751 tors. eta vs tors. theta energy: -266.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2866.589395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.589395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.589395 (E_RNA) where: Base-Base interactions energy: -1895.260 where: short stacking energy: -842.142 Base-Backbone interact. energy: -1.713 local terms energy: -969.616186 where: bonds (distance) C4'-P energy: -180.361 bonds (distance) P-C4' energy: -188.253 flat angles C4'-P-C4' energy: -208.220 flat angles P-C4'-P energy: -133.652 tors. eta vs tors. theta energy: -259.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2619.964261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.964261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.964261 (E_RNA) where: Base-Base interactions energy: -1703.386 where: short stacking energy: -765.901 Base-Backbone interact. energy: -5.631 local terms energy: -910.947436 where: bonds (distance) C4'-P energy: -188.243 bonds (distance) P-C4' energy: -185.765 flat angles C4'-P-C4' energy: -191.203 flat angles P-C4'-P energy: -118.628 tors. eta vs tors. theta energy: -227.108 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: 173 Temperature: 1.050000 Total energy: -2496.851558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.851558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.851558 (E_RNA) where: Base-Base interactions energy: -1652.244 where: short stacking energy: -740.617 Base-Backbone interact. energy: -1.872 local terms energy: -842.736103 where: bonds (distance) C4'-P energy: -148.879 bonds (distance) P-C4' energy: -171.439 flat angles C4'-P-C4' energy: -196.029 flat angles P-C4'-P energy: -112.236 tors. eta vs tors. theta energy: -214.153 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: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2284.776794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.776794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.776794 (E_RNA) where: Base-Base interactions energy: -1480.121 where: short stacking energy: -671.055 Base-Backbone interact. energy: 0.981 local terms energy: -805.636647 where: bonds (distance) C4'-P energy: -171.026 bonds (distance) P-C4' energy: -175.722 flat angles C4'-P-C4' energy: -170.319 flat angles P-C4'-P energy: -116.349 tors. eta vs tors. theta energy: -172.221 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: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2023.972470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.972470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.972470 (E_RNA) where: Base-Base interactions energy: -1252.993 where: short stacking energy: -583.208 Base-Backbone interact. energy: -2.386 local terms energy: -768.593815 where: bonds (distance) C4'-P energy: -170.097 bonds (distance) P-C4' energy: -175.406 flat angles C4'-P-C4' energy: -177.955 flat angles P-C4'-P energy: -103.725 tors. eta vs tors. theta energy: -141.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1547.551027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.551027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.551027 (E_RNA) where: Base-Base interactions energy: -936.774 where: short stacking energy: -445.479 Base-Backbone interact. energy: -3.458 local terms energy: -607.319277 where: bonds (distance) C4'-P energy: -172.605 bonds (distance) P-C4' energy: -179.148 flat angles C4'-P-C4' energy: -139.320 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -56.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1116.219789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.219789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.219789 (E_RNA) where: Base-Base interactions energy: -563.732 where: short stacking energy: -301.781 Base-Backbone interact. energy: 0.009 local terms energy: -552.496218 where: bonds (distance) C4'-P energy: -145.572 bonds (distance) P-C4' energy: -155.378 flat angles C4'-P-C4' energy: -143.533 flat angles P-C4'-P energy: -81.921 tors. eta vs tors. theta energy: -26.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -810.635088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.635088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.635088 (E_RNA) where: Base-Base interactions energy: -313.242 where: short stacking energy: -248.880 Base-Backbone interact. energy: 9.587 local terms energy: -506.980580 where: bonds (distance) C4'-P energy: -158.048 bonds (distance) P-C4' energy: -165.320 flat angles C4'-P-C4' energy: -111.363 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: 2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -733.353442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.353442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.353442 (E_RNA) where: Base-Base interactions energy: -302.699 where: short stacking energy: -210.371 Base-Backbone interact. energy: -2.204 local terms energy: -428.451072 where: bonds (distance) C4'-P energy: -142.628 bonds (distance) P-C4' energy: -157.663 flat angles C4'-P-C4' energy: -114.781 flat angles P-C4'-P energy: -52.665 tors. eta vs tors. theta energy: 39.286 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: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2984.547669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.547669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.547669 (E_RNA) where: Base-Base interactions energy: -2006.063 where: short stacking energy: -890.475 Base-Backbone interact. energy: -1.425 local terms energy: -977.060499 where: bonds (distance) C4'-P energy: -177.984 bonds (distance) P-C4' energy: -185.686 flat angles C4'-P-C4' energy: -209.149 flat angles P-C4'-P energy: -138.024 tors. eta vs tors. theta energy: -266.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2856.155204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.155204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.155204 (E_RNA) where: Base-Base interactions energy: -1903.424 where: short stacking energy: -831.546 Base-Backbone interact. energy: -2.553 local terms energy: -950.178228 where: bonds (distance) C4'-P energy: -171.620 bonds (distance) P-C4' energy: -184.037 flat angles C4'-P-C4' energy: -201.170 flat angles P-C4'-P energy: -137.209 tors. eta vs tors. theta energy: -256.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2554.951032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.951032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.951032 (E_RNA) where: Base-Base interactions energy: -1682.123 where: short stacking energy: -729.345 Base-Backbone interact. energy: -3.481 local terms energy: -869.346820 where: bonds (distance) C4'-P energy: -167.840 bonds (distance) P-C4' energy: -156.942 flat angles C4'-P-C4' energy: -194.423 flat angles P-C4'-P energy: -119.083 tors. eta vs tors. theta energy: -231.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2575.174761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.174761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.174761 (E_RNA) where: Base-Base interactions energy: -1672.927 where: short stacking energy: -771.098 Base-Backbone interact. energy: -4.463 local terms energy: -897.784470 where: bonds (distance) C4'-P energy: -172.613 bonds (distance) P-C4' energy: -170.487 flat angles C4'-P-C4' energy: -192.464 flat angles P-C4'-P energy: -128.347 tors. eta vs tors. theta energy: -233.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2261.294721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.294721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.294721 (E_RNA) where: Base-Base interactions energy: -1468.765 where: short stacking energy: -654.310 Base-Backbone interact. energy: -1.490 local terms energy: -791.039897 where: bonds (distance) C4'-P energy: -153.842 bonds (distance) P-C4' energy: -163.472 flat angles C4'-P-C4' energy: -184.685 flat angles P-C4'-P energy: -110.239 tors. eta vs tors. theta energy: -178.801 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: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1964.555081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.555081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.555081 (E_RNA) where: Base-Base interactions energy: -1227.246 where: short stacking energy: -552.330 Base-Backbone interact. energy: -2.758 local terms energy: -734.550993 where: bonds (distance) C4'-P energy: -143.067 bonds (distance) P-C4' energy: -174.851 flat angles C4'-P-C4' energy: -178.415 flat angles P-C4'-P energy: -113.647 tors. eta vs tors. theta energy: -124.571 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: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1576.691755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.691755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.691755 (E_RNA) where: Base-Base interactions energy: -935.801 where: short stacking energy: -471.451 Base-Backbone interact. energy: 3.722 local terms energy: -644.612404 where: bonds (distance) C4'-P energy: -136.690 bonds (distance) P-C4' energy: -161.857 flat angles C4'-P-C4' energy: -167.927 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -83.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1223.277442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.277442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.277442 (E_RNA) where: Base-Base interactions energy: -679.861 where: short stacking energy: -358.516 Base-Backbone interact. energy: 0.981 local terms energy: -544.396877 where: bonds (distance) C4'-P energy: -152.861 bonds (distance) P-C4' energy: -151.675 flat angles C4'-P-C4' energy: -136.637 flat angles P-C4'-P energy: -70.258 tors. eta vs tors. theta energy: -32.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -779.620049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.620049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.620049 (E_RNA) where: Base-Base interactions energy: -292.132 where: short stacking energy: -202.250 Base-Backbone interact. energy: 5.513 local terms energy: -493.000445 where: bonds (distance) C4'-P energy: -147.632 bonds (distance) P-C4' energy: -162.577 flat angles C4'-P-C4' energy: -130.263 flat angles P-C4'-P energy: -73.497 tors. eta vs tors. theta energy: 20.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -704.470750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.470750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.470750 (E_RNA) where: Base-Base interactions energy: -269.254 where: short stacking energy: -201.988 Base-Backbone interact. energy: 5.468 local terms energy: -440.684537 where: bonds (distance) C4'-P energy: -156.633 bonds (distance) P-C4' energy: -131.142 flat angles C4'-P-C4' energy: -122.130 flat angles P-C4'-P energy: -71.903 tors. eta vs tors. theta energy: 41.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2966.992234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.992234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.992234 (E_RNA) where: Base-Base interactions energy: -2016.956 where: short stacking energy: -894.530 Base-Backbone interact. energy: 1.338 local terms energy: -951.374164 where: bonds (distance) C4'-P energy: -166.047 bonds (distance) P-C4' energy: -187.741 flat angles C4'-P-C4' energy: -197.456 flat angles P-C4'-P energy: -140.126 tors. eta vs tors. theta energy: -260.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2812.681013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.681013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.681013 (E_RNA) where: Base-Base interactions energy: -1841.616 where: short stacking energy: -843.561 Base-Backbone interact. energy: -2.880 local terms energy: -968.184588 where: bonds (distance) C4'-P energy: -178.517 bonds (distance) P-C4' energy: -200.200 flat angles C4'-P-C4' energy: -205.739 flat angles P-C4'-P energy: -130.367 tors. eta vs tors. theta energy: -253.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2583.932711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.932711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.932711 (E_RNA) where: Base-Base interactions energy: -1727.859 where: short stacking energy: -765.468 Base-Backbone interact. energy: -2.873 local terms energy: -853.200168 where: bonds (distance) C4'-P energy: -154.715 bonds (distance) P-C4' energy: -176.091 flat angles C4'-P-C4' energy: -181.069 flat angles P-C4'-P energy: -118.811 tors. eta vs tors. theta energy: -222.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2590.077811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.077811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.077811 (E_RNA) where: Base-Base interactions energy: -1694.089 where: short stacking energy: -804.025 Base-Backbone interact. energy: -1.723 local terms energy: -894.265773 where: bonds (distance) C4'-P energy: -182.030 bonds (distance) P-C4' energy: -175.072 flat angles C4'-P-C4' energy: -185.104 flat angles P-C4'-P energy: -125.542 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: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2226.208279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.208279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.208279 (E_RNA) where: Base-Base interactions energy: -1469.700 where: short stacking energy: -641.215 Base-Backbone interact. energy: -1.081 local terms energy: -755.427923 where: bonds (distance) C4'-P energy: -166.986 bonds (distance) P-C4' energy: -164.946 flat angles C4'-P-C4' energy: -165.906 flat angles P-C4'-P energy: -98.603 tors. eta vs tors. theta energy: -158.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1904.263204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.263204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.263204 (E_RNA) where: Base-Base interactions energy: -1204.130 where: short stacking energy: -539.872 Base-Backbone interact. energy: 1.152 local terms energy: -701.284821 where: bonds (distance) C4'-P energy: -139.569 bonds (distance) P-C4' energy: -168.206 flat angles C4'-P-C4' energy: -179.146 flat angles P-C4'-P energy: -112.338 tors. eta vs tors. theta energy: -102.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1589.545532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.545532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.545532 (E_RNA) where: Base-Base interactions energy: -971.330 where: short stacking energy: -454.416 Base-Backbone interact. energy: -2.961 local terms energy: -615.254562 where: bonds (distance) C4'-P energy: -151.187 bonds (distance) P-C4' energy: -165.991 flat angles C4'-P-C4' energy: -130.392 flat angles P-C4'-P energy: -101.378 tors. eta vs tors. theta energy: -66.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1378.178044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.178044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.178044 (E_RNA) where: Base-Base interactions energy: -814.601 where: short stacking energy: -357.654 Base-Backbone interact. energy: 1.052 local terms energy: -564.628369 where: bonds (distance) C4'-P energy: -138.499 bonds (distance) P-C4' energy: -155.006 flat angles C4'-P-C4' energy: -138.328 flat angles P-C4'-P energy: -81.607 tors. eta vs tors. theta energy: -51.188 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: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -846.461551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.461551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.461551 (E_RNA) where: Base-Base interactions energy: -327.148 where: short stacking energy: -202.377 Base-Backbone interact. energy: -7.212 local terms energy: -512.102395 where: bonds (distance) C4'-P energy: -168.509 bonds (distance) P-C4' energy: -171.356 flat angles C4'-P-C4' energy: -120.735 flat angles P-C4'-P energy: -69.542 tors. eta vs tors. theta energy: 18.039 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: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -710.361477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.361477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.361477 (E_RNA) where: Base-Base interactions energy: -253.801 where: short stacking energy: -176.079 Base-Backbone interact. energy: 1.521 local terms energy: -458.081822 where: bonds (distance) C4'-P energy: -158.071 bonds (distance) P-C4' energy: -164.224 flat angles C4'-P-C4' energy: -114.320 flat angles P-C4'-P energy: -79.174 tors. eta vs tors. theta energy: 57.708 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: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2983.101874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.101874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.101874 (E_RNA) where: Base-Base interactions energy: -1993.484 where: short stacking energy: -886.054 Base-Backbone interact. energy: -4.513 local terms energy: -985.105453 where: bonds (distance) C4'-P energy: -180.717 bonds (distance) P-C4' energy: -184.928 flat angles C4'-P-C4' energy: -209.370 flat angles P-C4'-P energy: -140.357 tors. eta vs tors. theta energy: -269.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2834.569091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.569091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.569091 (E_RNA) where: Base-Base interactions energy: -1905.325 where: short stacking energy: -862.333 Base-Backbone interact. energy: -1.600 local terms energy: -927.644450 where: bonds (distance) C4'-P energy: -168.298 bonds (distance) P-C4' energy: -200.309 flat angles C4'-P-C4' energy: -193.819 flat angles P-C4'-P energy: -125.629 tors. eta vs tors. theta energy: -239.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2653.594456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.594456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.594456 (E_RNA) where: Base-Base interactions energy: -1754.454 where: short stacking energy: -777.589 Base-Backbone interact. energy: -5.178 local terms energy: -893.962202 where: bonds (distance) C4'-P energy: -160.110 bonds (distance) P-C4' energy: -177.238 flat angles C4'-P-C4' energy: -185.511 flat angles P-C4'-P energy: -147.223 tors. eta vs tors. theta energy: -223.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2550.063713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.063713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.063713 (E_RNA) where: Base-Base interactions energy: -1670.008 where: short stacking energy: -746.053 Base-Backbone interact. energy: -1.074 local terms energy: -878.981879 where: bonds (distance) C4'-P energy: -162.764 bonds (distance) P-C4' energy: -171.592 flat angles C4'-P-C4' energy: -209.345 flat angles P-C4'-P energy: -121.549 tors. eta vs tors. theta energy: -213.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2252.560186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.560186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.560186 (E_RNA) where: Base-Base interactions energy: -1483.705 where: short stacking energy: -647.954 Base-Backbone interact. energy: -2.489 local terms energy: -766.365727 where: bonds (distance) C4'-P energy: -146.500 bonds (distance) P-C4' energy: -145.186 flat angles C4'-P-C4' energy: -185.237 flat angles P-C4'-P energy: -118.598 tors. eta vs tors. theta energy: -170.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2040.615461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.615461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.615461 (E_RNA) where: Base-Base interactions energy: -1314.458 where: short stacking energy: -568.059 Base-Backbone interact. energy: -0.611 local terms energy: -725.546357 where: bonds (distance) C4'-P energy: -160.222 bonds (distance) P-C4' energy: -164.211 flat angles C4'-P-C4' energy: -176.873 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -125.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1570.836088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.836088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.836088 (E_RNA) where: Base-Base interactions energy: -938.856 where: short stacking energy: -473.980 Base-Backbone interact. energy: 5.091 local terms energy: -637.071565 where: bonds (distance) C4'-P energy: -161.225 bonds (distance) P-C4' energy: -159.337 flat angles C4'-P-C4' energy: -137.953 flat angles P-C4'-P energy: -86.444 tors. eta vs tors. theta energy: -92.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1315.912993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.912993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.912993 (E_RNA) where: Base-Base interactions energy: -710.194 where: short stacking energy: -352.750 Base-Backbone interact. energy: 4.795 local terms energy: -610.514854 where: bonds (distance) C4'-P energy: -150.203 bonds (distance) P-C4' energy: -178.422 flat angles C4'-P-C4' energy: -160.910 flat angles P-C4'-P energy: -73.512 tors. eta vs tors. theta energy: -47.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -821.114539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.114539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.114539 (E_RNA) where: Base-Base interactions energy: -364.924 where: short stacking energy: -208.501 Base-Backbone interact. energy: -3.024 local terms energy: -453.167419 where: bonds (distance) C4'-P energy: -137.999 bonds (distance) P-C4' energy: -166.046 flat angles C4'-P-C4' energy: -105.953 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: 19.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -717.250101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.250101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.250101 (E_RNA) where: Base-Base interactions energy: -268.216 where: short stacking energy: -186.684 Base-Backbone interact. energy: 0.745 local terms energy: -449.779260 where: bonds (distance) C4'-P energy: -111.596 bonds (distance) P-C4' energy: -151.916 flat angles C4'-P-C4' energy: -130.150 flat angles P-C4'-P energy: -74.729 tors. eta vs tors. theta energy: 18.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2954.956343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.956343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.956343 (E_RNA) where: Base-Base interactions energy: -1992.396 where: short stacking energy: -884.582 Base-Backbone interact. energy: -4.373 local terms energy: -958.187318 where: bonds (distance) C4'-P energy: -173.411 bonds (distance) P-C4' energy: -186.879 flat angles C4'-P-C4' energy: -199.569 flat angles P-C4'-P energy: -147.471 tors. eta vs tors. theta energy: -250.857 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: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2841.337745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.337745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.337745 (E_RNA) where: Base-Base interactions energy: -1915.813 where: short stacking energy: -886.959 Base-Backbone interact. energy: -1.763 local terms energy: -923.761223 where: bonds (distance) C4'-P energy: -177.517 bonds (distance) P-C4' energy: -172.880 flat angles C4'-P-C4' energy: -207.939 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -247.459 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: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2636.168749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.168749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.168749 (E_RNA) where: Base-Base interactions energy: -1778.622 where: short stacking energy: -774.983 Base-Backbone interact. energy: -0.017 local terms energy: -857.529130 where: bonds (distance) C4'-P energy: -162.411 bonds (distance) P-C4' energy: -181.243 flat angles C4'-P-C4' energy: -184.879 flat angles P-C4'-P energy: -105.762 tors. eta vs tors. theta energy: -223.234 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: 177 Temperature: 1.050000 Total energy: -2559.003611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.003611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.003611 (E_RNA) where: Base-Base interactions energy: -1686.853 where: short stacking energy: -754.820 Base-Backbone interact. energy: -2.266 local terms energy: -869.884690 where: bonds (distance) C4'-P energy: -185.043 bonds (distance) P-C4' energy: -183.349 flat angles C4'-P-C4' energy: -174.047 flat angles P-C4'-P energy: -123.340 tors. eta vs tors. theta energy: -204.106 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: 177 Temperature: 1.100000 Total energy: -2275.337947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.337947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.337947 (E_RNA) where: Base-Base interactions energy: -1481.196 where: short stacking energy: -663.980 Base-Backbone interact. energy: -2.267 local terms energy: -791.874322 where: bonds (distance) C4'-P energy: -162.450 bonds (distance) P-C4' energy: -185.897 flat angles C4'-P-C4' energy: -158.217 flat angles P-C4'-P energy: -109.337 tors. eta vs tors. theta energy: -175.973 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: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2027.661154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.661154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.661154 (E_RNA) where: Base-Base interactions energy: -1280.565 where: short stacking energy: -592.256 Base-Backbone interact. energy: -2.371 local terms energy: -744.724860 where: bonds (distance) C4'-P energy: -148.466 bonds (distance) P-C4' energy: -171.913 flat angles C4'-P-C4' energy: -164.087 flat angles P-C4'-P energy: -111.261 tors. eta vs tors. theta energy: -148.998 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: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1577.459178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.459178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.459178 (E_RNA) where: Base-Base interactions energy: -918.434 where: short stacking energy: -460.992 Base-Backbone interact. energy: -2.632 local terms energy: -656.393383 where: bonds (distance) C4'-P energy: -158.788 bonds (distance) P-C4' energy: -163.772 flat angles C4'-P-C4' energy: -157.547 flat angles P-C4'-P energy: -91.899 tors. eta vs tors. theta energy: -84.387 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: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1299.889032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.889032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.889032 (E_RNA) where: Base-Base interactions energy: -707.055 where: short stacking energy: -351.634 Base-Backbone interact. energy: -0.556 local terms energy: -592.278162 where: bonds (distance) C4'-P energy: -153.489 bonds (distance) P-C4' energy: -150.785 flat angles C4'-P-C4' energy: -161.906 flat angles P-C4'-P energy: -94.662 tors. eta vs tors. theta energy: -31.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -780.266770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.266770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.266770 (E_RNA) where: Base-Base interactions energy: -325.110 where: short stacking energy: -223.518 Base-Backbone interact. energy: 7.009 local terms energy: -462.165744 where: bonds (distance) C4'-P energy: -144.010 bonds (distance) P-C4' energy: -154.767 flat angles C4'-P-C4' energy: -127.797 flat angles P-C4'-P energy: -67.797 tors. eta vs tors. theta energy: 32.205 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: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -720.194330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.194330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.194330 (E_RNA) where: Base-Base interactions energy: -291.017 where: short stacking energy: -184.641 Base-Backbone interact. energy: 2.215 local terms energy: -431.392264 where: bonds (distance) C4'-P energy: -143.490 bonds (distance) P-C4' energy: -142.882 flat angles C4'-P-C4' energy: -119.153 flat angles P-C4'-P energy: -63.980 tors. eta vs tors. theta energy: 38.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2967.386910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.386910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.386910 (E_RNA) where: Base-Base interactions energy: -2006.807 where: short stacking energy: -906.538 Base-Backbone interact. energy: -7.003 local terms energy: -953.577045 where: bonds (distance) C4'-P energy: -172.838 bonds (distance) P-C4' energy: -185.568 flat angles C4'-P-C4' energy: -208.466 flat angles P-C4'-P energy: -129.933 tors. eta vs tors. theta energy: -256.772 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: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2860.916719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.916719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.916719 (E_RNA) where: Base-Base interactions energy: -1943.115 where: short stacking energy: -854.709 Base-Backbone interact. energy: -2.192 local terms energy: -915.609586 where: bonds (distance) C4'-P energy: -178.320 bonds (distance) P-C4' energy: -182.896 flat angles C4'-P-C4' energy: -192.284 flat angles P-C4'-P energy: -114.249 tors. eta vs tors. theta energy: -247.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2663.124662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.124662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.124662 (E_RNA) where: Base-Base interactions energy: -1798.811 where: short stacking energy: -776.109 Base-Backbone interact. energy: -0.645 local terms energy: -863.668787 where: bonds (distance) C4'-P energy: -184.630 bonds (distance) P-C4' energy: -160.832 flat angles C4'-P-C4' energy: -196.969 flat angles P-C4'-P energy: -104.243 tors. eta vs tors. theta energy: -216.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2577.024692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.024692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.024692 (E_RNA) where: Base-Base interactions energy: -1668.142 where: short stacking energy: -778.916 Base-Backbone interact. energy: -5.053 local terms energy: -903.829975 where: bonds (distance) C4'-P energy: -161.172 bonds (distance) P-C4' energy: -168.772 flat angles C4'-P-C4' energy: -192.116 flat angles P-C4'-P energy: -148.301 tors. eta vs tors. theta energy: -233.469 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: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2261.323939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.323939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.323939 (E_RNA) where: Base-Base interactions energy: -1458.799 where: short stacking energy: -653.805 Base-Backbone interact. energy: -2.314 local terms energy: -800.211341 where: bonds (distance) C4'-P energy: -173.574 bonds (distance) P-C4' energy: -170.860 flat angles C4'-P-C4' energy: -176.047 flat angles P-C4'-P energy: -113.015 tors. eta vs tors. theta energy: -166.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2025.290812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.290812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.290812 (E_RNA) where: Base-Base interactions energy: -1301.429 where: short stacking energy: -570.926 Base-Backbone interact. energy: 1.661 local terms energy: -725.522400 where: bonds (distance) C4'-P energy: -179.138 bonds (distance) P-C4' energy: -155.455 flat angles C4'-P-C4' energy: -155.031 flat angles P-C4'-P energy: -100.526 tors. eta vs tors. theta energy: -135.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1515.609478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.609478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.609478 (E_RNA) where: Base-Base interactions energy: -900.857 where: short stacking energy: -416.880 Base-Backbone interact. energy: -3.304 local terms energy: -611.447626 where: bonds (distance) C4'-P energy: -146.429 bonds (distance) P-C4' energy: -151.282 flat angles C4'-P-C4' energy: -150.806 flat angles P-C4'-P energy: -89.519 tors. eta vs tors. theta energy: -73.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1296.935126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.935126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.935126 (E_RNA) where: Base-Base interactions energy: -685.876 where: short stacking energy: -357.420 Base-Backbone interact. energy: -2.543 local terms energy: -608.516639 where: bonds (distance) C4'-P energy: -150.075 bonds (distance) P-C4' energy: -170.775 flat angles C4'-P-C4' energy: -140.660 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -61.035 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: 178 Temperature: 1.300000 Total energy: -862.570506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.570506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.570506 (E_RNA) where: Base-Base interactions energy: -344.453 where: short stacking energy: -260.034 Base-Backbone interact. energy: 4.659 local terms energy: -522.777105 where: bonds (distance) C4'-P energy: -145.670 bonds (distance) P-C4' energy: -162.908 flat angles C4'-P-C4' energy: -116.691 flat angles P-C4'-P energy: -84.870 tors. eta vs tors. theta energy: -12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -750.639956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.639956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.639956 (E_RNA) where: Base-Base interactions energy: -281.173 where: short stacking energy: -175.612 Base-Backbone interact. energy: -0.997 local terms energy: -468.469774 where: bonds (distance) C4'-P energy: -142.018 bonds (distance) P-C4' energy: -181.702 flat angles C4'-P-C4' energy: -96.494 flat angles P-C4'-P energy: -94.491 tors. eta vs tors. theta energy: 46.235 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: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3014.216840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.216840 (E_RNA) where: Base-Base interactions energy: -2005.642 where: short stacking energy: -929.609 Base-Backbone interact. energy: -0.729 local terms energy: -1007.846176 where: bonds (distance) C4'-P energy: -177.219 bonds (distance) P-C4' energy: -188.260 flat angles C4'-P-C4' energy: -216.905 flat angles P-C4'-P energy: -150.998 tors. eta vs tors. theta energy: -274.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2893.638541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.638541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.638541 (E_RNA) where: Base-Base interactions energy: -1949.338 where: short stacking energy: -876.121 Base-Backbone interact. energy: -3.502 local terms energy: -940.798207 where: bonds (distance) C4'-P energy: -165.348 bonds (distance) P-C4' energy: -195.492 flat angles C4'-P-C4' energy: -203.241 flat angles P-C4'-P energy: -127.305 tors. eta vs tors. theta energy: -249.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2708.881389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.881389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.881389 (E_RNA) where: Base-Base interactions energy: -1832.395 where: short stacking energy: -774.835 Base-Backbone interact. energy: -3.103 local terms energy: -873.383019 where: bonds (distance) C4'-P energy: -168.130 bonds (distance) P-C4' energy: -163.346 flat angles C4'-P-C4' energy: -204.743 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -228.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2553.556486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.556486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.556486 (E_RNA) where: Base-Base interactions energy: -1698.633 where: short stacking energy: -794.045 Base-Backbone interact. energy: -2.379 local terms energy: -852.544315 where: bonds (distance) C4'-P energy: -163.865 bonds (distance) P-C4' energy: -181.170 flat angles C4'-P-C4' energy: -190.299 flat angles P-C4'-P energy: -98.907 tors. eta vs tors. theta energy: -218.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2221.673461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.673461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.673461 (E_RNA) where: Base-Base interactions energy: -1414.368 where: short stacking energy: -660.340 Base-Backbone interact. energy: -2.165 local terms energy: -805.140310 where: bonds (distance) C4'-P energy: -152.210 bonds (distance) P-C4' energy: -178.524 flat angles C4'-P-C4' energy: -184.690 flat angles P-C4'-P energy: -124.345 tors. eta vs tors. theta energy: -165.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1929.235136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.235136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.235136 (E_RNA) where: Base-Base interactions energy: -1251.033 where: short stacking energy: -550.770 Base-Backbone interact. energy: -0.057 local terms energy: -678.145108 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -166.088 flat angles C4'-P-C4' energy: -159.187 flat angles P-C4'-P energy: -84.154 tors. eta vs tors. theta energy: -121.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1456.109805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.109805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.109805 (E_RNA) where: Base-Base interactions energy: -810.018 where: short stacking energy: -413.917 Base-Backbone interact. energy: 0.754 local terms energy: -646.845984 where: bonds (distance) C4'-P energy: -168.889 bonds (distance) P-C4' energy: -150.256 flat angles C4'-P-C4' energy: -158.180 flat angles P-C4'-P energy: -90.721 tors. eta vs tors. theta energy: -78.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1379.174359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.174359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.174359 (E_RNA) where: Base-Base interactions energy: -783.510 where: short stacking energy: -402.838 Base-Backbone interact. energy: 3.444 local terms energy: -599.108272 where: bonds (distance) C4'-P energy: -148.713 bonds (distance) P-C4' energy: -139.922 flat angles C4'-P-C4' energy: -155.698 flat angles P-C4'-P energy: -100.487 tors. eta vs tors. theta energy: -54.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -850.689332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.689332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.689332 (E_RNA) where: Base-Base interactions energy: -338.032 where: short stacking energy: -222.856 Base-Backbone interact. energy: 4.602 local terms energy: -517.259848 where: bonds (distance) C4'-P energy: -147.698 bonds (distance) P-C4' energy: -161.155 flat angles C4'-P-C4' energy: -157.721 flat angles P-C4'-P energy: -76.932 tors. eta vs tors. theta energy: 26.246 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: 179 Temperature: 1.350000 Total energy: -839.437507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.437507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.437507 (E_RNA) where: Base-Base interactions energy: -356.560 where: short stacking energy: -239.539 Base-Backbone interact. energy: 11.465 local terms energy: -494.341906 where: bonds (distance) C4'-P energy: -151.610 bonds (distance) P-C4' energy: -140.536 flat angles C4'-P-C4' energy: -127.895 flat angles P-C4'-P energy: -86.688 tors. eta vs tors. theta energy: 12.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3011.419321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.419321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.419321 (E_RNA) where: Base-Base interactions energy: -2021.892 where: short stacking energy: -888.180 Base-Backbone interact. energy: -5.576 local terms energy: -983.950863 where: bonds (distance) C4'-P energy: -175.312 bonds (distance) P-C4' energy: -188.696 flat angles C4'-P-C4' energy: -212.711 flat angles P-C4'-P energy: -134.522 tors. eta vs tors. theta energy: -272.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2914.223226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.223226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.223226 (E_RNA) where: Base-Base interactions energy: -1949.704 where: short stacking energy: -847.621 Base-Backbone interact. energy: -5.886 local terms energy: -958.633454 where: bonds (distance) C4'-P energy: -179.297 bonds (distance) P-C4' energy: -185.373 flat angles C4'-P-C4' energy: -206.729 flat angles P-C4'-P energy: -130.694 tors. eta vs tors. theta energy: -256.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2686.195090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.195090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.195090 (E_RNA) where: Base-Base interactions energy: -1809.131 where: short stacking energy: -773.662 Base-Backbone interact. energy: -0.745 local terms energy: -876.319607 where: bonds (distance) C4'-P energy: -165.785 bonds (distance) P-C4' energy: -171.216 flat angles C4'-P-C4' energy: -192.741 flat angles P-C4'-P energy: -128.427 tors. eta vs tors. theta energy: -218.152 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: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2590.263289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.263289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.263289 (E_RNA) where: Base-Base interactions energy: -1713.284 where: short stacking energy: -790.429 Base-Backbone interact. energy: -6.149 local terms energy: -870.830710 where: bonds (distance) C4'-P energy: -178.277 bonds (distance) P-C4' energy: -166.160 flat angles C4'-P-C4' energy: -180.836 flat angles P-C4'-P energy: -126.867 tors. eta vs tors. theta energy: -218.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2207.506483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.506483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.506483 (E_RNA) where: Base-Base interactions energy: -1438.182 where: short stacking energy: -608.899 Base-Backbone interact. energy: 0.362 local terms energy: -769.686568 where: bonds (distance) C4'-P energy: -138.223 bonds (distance) P-C4' energy: -162.791 flat angles C4'-P-C4' energy: -190.741 flat angles P-C4'-P energy: -123.234 tors. eta vs tors. theta energy: -154.697 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: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2026.332829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.332829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.332829 (E_RNA) where: Base-Base interactions energy: -1280.693 where: short stacking energy: -598.842 Base-Backbone interact. energy: -2.822 local terms energy: -742.817654 where: bonds (distance) C4'-P energy: -151.946 bonds (distance) P-C4' energy: -165.115 flat angles C4'-P-C4' energy: -164.349 flat angles P-C4'-P energy: -104.477 tors. eta vs tors. theta energy: -156.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1528.498610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.498610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.498610 (E_RNA) where: Base-Base interactions energy: -922.167 where: short stacking energy: -465.879 Base-Backbone interact. energy: 3.768 local terms energy: -610.099939 where: bonds (distance) C4'-P energy: -118.054 bonds (distance) P-C4' energy: -160.300 flat angles C4'-P-C4' energy: -162.888 flat angles P-C4'-P energy: -91.656 tors. eta vs tors. theta energy: -77.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1317.802804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.802804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.802804 (E_RNA) where: Base-Base interactions energy: -717.521 where: short stacking energy: -383.705 Base-Backbone interact. energy: 3.615 local terms energy: -603.896878 where: bonds (distance) C4'-P energy: -163.954 bonds (distance) P-C4' energy: -142.395 flat angles C4'-P-C4' energy: -155.820 flat angles P-C4'-P energy: -85.085 tors. eta vs tors. theta energy: -56.643 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: 180 Temperature: 1.300000 Total energy: -842.538147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.538147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.538147 (E_RNA) where: Base-Base interactions energy: -322.775 where: short stacking energy: -228.588 Base-Backbone interact. energy: 0.129 local terms energy: -519.891840 where: bonds (distance) C4'-P energy: -163.987 bonds (distance) P-C4' energy: -167.531 flat angles C4'-P-C4' energy: -129.254 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: 16.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -766.385553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.385553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.385553 (E_RNA) where: Base-Base interactions energy: -313.851 where: short stacking energy: -201.062 Base-Backbone interact. energy: 7.337 local terms energy: -459.871244 where: bonds (distance) C4'-P energy: -140.233 bonds (distance) P-C4' energy: -151.098 flat angles C4'-P-C4' energy: -116.675 flat angles P-C4'-P energy: -72.161 tors. eta vs tors. theta energy: 20.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3001.179935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.179935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.179935 (E_RNA) where: Base-Base interactions energy: -1988.215 where: short stacking energy: -897.174 Base-Backbone interact. energy: -2.437 local terms energy: -1010.527746 where: bonds (distance) C4'-P energy: -178.408 bonds (distance) P-C4' energy: -180.452 flat angles C4'-P-C4' energy: -216.578 flat angles P-C4'-P energy: -146.671 tors. eta vs tors. theta energy: -288.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2880.471847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.471847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.471847 (E_RNA) where: Base-Base interactions energy: -1927.299 where: short stacking energy: -866.674 Base-Backbone interact. energy: -6.114 local terms energy: -947.058793 where: bonds (distance) C4'-P energy: -188.364 bonds (distance) P-C4' energy: -173.707 flat angles C4'-P-C4' energy: -195.326 flat angles P-C4'-P energy: -127.483 tors. eta vs tors. theta energy: -262.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2698.545806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.545806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.545806 (E_RNA) where: Base-Base interactions energy: -1782.597 where: short stacking energy: -806.651 Base-Backbone interact. energy: -5.669 local terms energy: -910.279184 where: bonds (distance) C4'-P energy: -173.759 bonds (distance) P-C4' energy: -174.450 flat angles C4'-P-C4' energy: -197.186 flat angles P-C4'-P energy: -121.934 tors. eta vs tors. theta energy: -242.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2605.352313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.352313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.352313 (E_RNA) where: Base-Base interactions energy: -1704.728 where: short stacking energy: -752.317 Base-Backbone interact. energy: -3.390 local terms energy: -897.234004 where: bonds (distance) C4'-P energy: -170.788 bonds (distance) P-C4' energy: -182.297 flat angles C4'-P-C4' energy: -193.196 flat angles P-C4'-P energy: -118.169 tors. eta vs tors. theta energy: -232.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2190.975256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.975256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.975256 (E_RNA) where: Base-Base interactions energy: -1432.950 where: short stacking energy: -663.519 Base-Backbone interact. energy: -4.784 local terms energy: -753.241424 where: bonds (distance) C4'-P energy: -143.445 bonds (distance) P-C4' energy: -167.737 flat angles C4'-P-C4' energy: -179.500 flat angles P-C4'-P energy: -107.417 tors. eta vs tors. theta energy: -155.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2022.382243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.382243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.382243 (E_RNA) where: Base-Base interactions energy: -1273.801 where: short stacking energy: -587.252 Base-Backbone interact. energy: -3.188 local terms energy: -745.393900 where: bonds (distance) C4'-P energy: -150.981 bonds (distance) P-C4' energy: -160.576 flat angles C4'-P-C4' energy: -174.114 flat angles P-C4'-P energy: -109.898 tors. eta vs tors. theta energy: -149.826 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: 181 Temperature: 1.200000 Total energy: -1559.004670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.004670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.004670 (E_RNA) where: Base-Base interactions energy: -913.198 where: short stacking energy: -405.300 Base-Backbone interact. energy: -5.071 local terms energy: -640.735880 where: bonds (distance) C4'-P energy: -156.219 bonds (distance) P-C4' energy: -160.518 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -80.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1367.306563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.306563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.306563 (E_RNA) where: Base-Base interactions energy: -783.550 where: short stacking energy: -381.852 Base-Backbone interact. energy: -3.410 local terms energy: -580.346416 where: bonds (distance) C4'-P energy: -146.494 bonds (distance) P-C4' energy: -182.373 flat angles C4'-P-C4' energy: -149.041 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -20.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -817.113929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.113929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.113929 (E_RNA) where: Base-Base interactions energy: -346.264 where: short stacking energy: -255.726 Base-Backbone interact. energy: -0.986 local terms energy: -469.864383 where: bonds (distance) C4'-P energy: -155.781 bonds (distance) P-C4' energy: -152.152 flat angles C4'-P-C4' energy: -120.892 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: 25.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -750.034551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.034551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.034551 (E_RNA) where: Base-Base interactions energy: -288.636 where: short stacking energy: -198.983 Base-Backbone interact. energy: -5.646 local terms energy: -455.751740 where: bonds (distance) C4'-P energy: -144.957 bonds (distance) P-C4' energy: -144.063 flat angles C4'-P-C4' energy: -120.500 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: 26.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3021.100656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.100656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.100656 (E_RNA) where: Base-Base interactions energy: -2027.773 where: short stacking energy: -914.737 Base-Backbone interact. energy: -5.455 local terms energy: -987.872733 where: bonds (distance) C4'-P energy: -184.993 bonds (distance) P-C4' energy: -175.962 flat angles C4'-P-C4' energy: -211.453 flat angles P-C4'-P energy: -138.600 tors. eta vs tors. theta energy: -276.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2896.979116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.979116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.979116 (E_RNA) where: Base-Base interactions energy: -1944.988 where: short stacking energy: -839.365 Base-Backbone interact. energy: -4.652 local terms energy: -947.338385 where: bonds (distance) C4'-P energy: -181.436 bonds (distance) P-C4' energy: -182.757 flat angles C4'-P-C4' energy: -192.050 flat angles P-C4'-P energy: -133.357 tors. eta vs tors. theta energy: -257.738 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: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2692.412984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.412984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.412984 (E_RNA) where: Base-Base interactions energy: -1809.364 where: short stacking energy: -761.545 Base-Backbone interact. energy: -3.602 local terms energy: -879.446428 where: bonds (distance) C4'-P energy: -176.556 bonds (distance) P-C4' energy: -173.907 flat angles C4'-P-C4' energy: -192.824 flat angles P-C4'-P energy: -116.937 tors. eta vs tors. theta energy: -219.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2592.239891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.239891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.239891 (E_RNA) where: Base-Base interactions energy: -1721.259 where: short stacking energy: -764.175 Base-Backbone interact. energy: 1.973 local terms energy: -872.953339 where: bonds (distance) C4'-P energy: -161.735 bonds (distance) P-C4' energy: -181.879 flat angles C4'-P-C4' energy: -195.164 flat angles P-C4'-P energy: -113.359 tors. eta vs tors. theta energy: -220.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2271.258832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.258832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.258832 (E_RNA) where: Base-Base interactions energy: -1473.782 where: short stacking energy: -689.986 Base-Backbone interact. energy: -6.142 local terms energy: -791.334928 where: bonds (distance) C4'-P energy: -163.017 bonds (distance) P-C4' energy: -170.955 flat angles C4'-P-C4' energy: -194.472 flat angles P-C4'-P energy: -99.445 tors. eta vs tors. theta energy: -163.446 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: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1960.069344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.069344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.069344 (E_RNA) where: Base-Base interactions energy: -1260.305 where: short stacking energy: -559.222 Base-Backbone interact. energy: 3.767 local terms energy: -703.531517 where: bonds (distance) C4'-P energy: -152.753 bonds (distance) P-C4' energy: -161.558 flat angles C4'-P-C4' energy: -175.129 flat angles P-C4'-P energy: -85.804 tors. eta vs tors. theta energy: -128.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1581.214343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.214343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.214343 (E_RNA) where: Base-Base interactions energy: -936.230 where: short stacking energy: -468.715 Base-Backbone interact. energy: -1.981 local terms energy: -643.003304 where: bonds (distance) C4'-P energy: -155.881 bonds (distance) P-C4' energy: -156.116 flat angles C4'-P-C4' energy: -163.751 flat angles P-C4'-P energy: -94.319 tors. eta vs tors. theta energy: -72.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1347.461611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.461611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.461611 (E_RNA) where: Base-Base interactions energy: -784.255 where: short stacking energy: -387.046 Base-Backbone interact. energy: -1.381 local terms energy: -561.825572 where: bonds (distance) C4'-P energy: -153.111 bonds (distance) P-C4' energy: -161.087 flat angles C4'-P-C4' energy: -139.166 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -35.919 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: 182 Temperature: 1.300000 Total energy: -772.917188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.917188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.917188 (E_RNA) where: Base-Base interactions energy: -290.013 where: short stacking energy: -206.820 Base-Backbone interact. energy: 5.049 local terms energy: -487.953393 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -154.165 flat angles C4'-P-C4' energy: -129.023 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: 31.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -711.234913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.234913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.234913 (E_RNA) where: Base-Base interactions energy: -283.436 where: short stacking energy: -179.914 Base-Backbone interact. energy: 4.796 local terms energy: -432.595553 where: bonds (distance) C4'-P energy: -138.412 bonds (distance) P-C4' energy: -148.657 flat angles C4'-P-C4' energy: -123.405 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: 47.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2988.458729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.458729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.458729 (E_RNA) where: Base-Base interactions energy: -1992.321 where: short stacking energy: -891.323 Base-Backbone interact. energy: -2.920 local terms energy: -993.217826 where: bonds (distance) C4'-P energy: -182.697 bonds (distance) P-C4' energy: -180.922 flat angles C4'-P-C4' energy: -209.888 flat angles P-C4'-P energy: -138.919 tors. eta vs tors. theta energy: -280.793 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: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2845.270453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.270453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.270453 (E_RNA) where: Base-Base interactions energy: -1886.086 where: short stacking energy: -835.977 Base-Backbone interact. energy: -4.150 local terms energy: -955.034911 where: bonds (distance) C4'-P energy: -183.051 bonds (distance) P-C4' energy: -175.442 flat angles C4'-P-C4' energy: -209.775 flat angles P-C4'-P energy: -135.162 tors. eta vs tors. theta energy: -251.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2692.306558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.306558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.306558 (E_RNA) where: Base-Base interactions energy: -1807.521 where: short stacking energy: -799.312 Base-Backbone interact. energy: -2.486 local terms energy: -882.299486 where: bonds (distance) C4'-P energy: -170.963 bonds (distance) P-C4' energy: -179.993 flat angles C4'-P-C4' energy: -191.686 flat angles P-C4'-P energy: -116.611 tors. eta vs tors. theta energy: -223.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2582.495267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.495267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.495267 (E_RNA) where: Base-Base interactions energy: -1708.962 where: short stacking energy: -760.341 Base-Backbone interact. energy: -3.761 local terms energy: -869.772757 where: bonds (distance) C4'-P energy: -169.053 bonds (distance) P-C4' energy: -166.563 flat angles C4'-P-C4' energy: -185.755 flat angles P-C4'-P energy: -129.373 tors. eta vs tors. theta energy: -219.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2267.604167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.604167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.604167 (E_RNA) where: Base-Base interactions energy: -1455.981 where: short stacking energy: -675.510 Base-Backbone interact. energy: -2.158 local terms energy: -809.465144 where: bonds (distance) C4'-P energy: -160.471 bonds (distance) P-C4' energy: -175.697 flat angles C4'-P-C4' energy: -187.491 flat angles P-C4'-P energy: -105.578 tors. eta vs tors. theta energy: -180.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2062.725328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.725328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.725328 (E_RNA) where: Base-Base interactions energy: -1343.408 where: short stacking energy: -602.667 Base-Backbone interact. energy: -1.391 local terms energy: -717.925896 where: bonds (distance) C4'-P energy: -148.022 bonds (distance) P-C4' energy: -144.202 flat angles C4'-P-C4' energy: -160.395 flat angles P-C4'-P energy: -113.657 tors. eta vs tors. theta energy: -151.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1575.350121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.350121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.350121 (E_RNA) where: Base-Base interactions energy: -933.433 where: short stacking energy: -436.787 Base-Backbone interact. energy: 0.208 local terms energy: -642.124506 where: bonds (distance) C4'-P energy: -144.529 bonds (distance) P-C4' energy: -152.791 flat angles C4'-P-C4' energy: -154.717 flat angles P-C4'-P energy: -104.790 tors. eta vs tors. theta energy: -85.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1373.260072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.260072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.260072 (E_RNA) where: Base-Base interactions energy: -793.771 where: short stacking energy: -389.934 Base-Backbone interact. energy: -1.452 local terms energy: -578.037305 where: bonds (distance) C4'-P energy: -139.138 bonds (distance) P-C4' energy: -163.361 flat angles C4'-P-C4' energy: -143.505 flat angles P-C4'-P energy: -96.970 tors. eta vs tors. theta energy: -35.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -825.574055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.574055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.574055 (E_RNA) where: Base-Base interactions energy: -340.521 where: short stacking energy: -246.307 Base-Backbone interact. energy: 1.290 local terms energy: -486.342755 where: bonds (distance) C4'-P energy: -125.229 bonds (distance) P-C4' energy: -163.736 flat angles C4'-P-C4' energy: -136.453 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: 13.228 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -754.152819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.152819 (E_RNA) where: Base-Base interactions energy: -296.167 where: short stacking energy: -227.636 Base-Backbone interact. energy: -4.390 local terms energy: -453.596212 where: bonds (distance) C4'-P energy: -135.598 bonds (distance) P-C4' energy: -170.088 flat angles C4'-P-C4' energy: -122.924 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: 35.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2996.999006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.999006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.999006 (E_RNA) where: Base-Base interactions energy: -2025.161 where: short stacking energy: -896.242 Base-Backbone interact. energy: -2.850 local terms energy: -968.987994 where: bonds (distance) C4'-P energy: -173.424 bonds (distance) P-C4' energy: -189.606 flat angles C4'-P-C4' energy: -208.700 flat angles P-C4'-P energy: -121.202 tors. eta vs tors. theta energy: -276.056 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: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2857.341260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.341260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.341260 (E_RNA) where: Base-Base interactions energy: -1896.271 where: short stacking energy: -847.770 Base-Backbone interact. energy: -4.181 local terms energy: -956.889490 where: bonds (distance) C4'-P energy: -177.898 bonds (distance) P-C4' energy: -194.425 flat angles C4'-P-C4' energy: -203.858 flat angles P-C4'-P energy: -137.403 tors. eta vs tors. theta energy: -243.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2669.524802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.524802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.524802 (E_RNA) where: Base-Base interactions energy: -1769.572 where: short stacking energy: -779.923 Base-Backbone interact. energy: 0.731 local terms energy: -900.684241 where: bonds (distance) C4'-P energy: -165.584 bonds (distance) P-C4' energy: -182.296 flat angles C4'-P-C4' energy: -196.588 flat angles P-C4'-P energy: -127.235 tors. eta vs tors. theta energy: -228.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2576.672108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.672108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.672108 (E_RNA) where: Base-Base interactions energy: -1755.816 where: short stacking energy: -748.001 Base-Backbone interact. energy: -0.810 local terms energy: -820.046070 where: bonds (distance) C4'-P energy: -151.141 bonds (distance) P-C4' energy: -154.962 flat angles C4'-P-C4' energy: -188.350 flat angles P-C4'-P energy: -106.260 tors. eta vs tors. theta energy: -219.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2233.517403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.517403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.517403 (E_RNA) where: Base-Base interactions energy: -1467.889 where: short stacking energy: -677.161 Base-Backbone interact. energy: 5.110 local terms energy: -770.738524 where: bonds (distance) C4'-P energy: -138.917 bonds (distance) P-C4' energy: -168.990 flat angles C4'-P-C4' energy: -166.859 flat angles P-C4'-P energy: -126.109 tors. eta vs tors. theta energy: -169.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2036.240021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.240021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.240021 (E_RNA) where: Base-Base interactions energy: -1292.257 where: short stacking energy: -598.810 Base-Backbone interact. energy: -3.438 local terms energy: -740.544844 where: bonds (distance) C4'-P energy: -171.936 bonds (distance) P-C4' energy: -151.174 flat angles C4'-P-C4' energy: -175.257 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -142.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1575.242654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.242654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.242654 (E_RNA) where: Base-Base interactions energy: -915.407 where: short stacking energy: -463.929 Base-Backbone interact. energy: -2.838 local terms energy: -656.997539 where: bonds (distance) C4'-P energy: -156.053 bonds (distance) P-C4' energy: -148.651 flat angles C4'-P-C4' energy: -163.306 flat angles P-C4'-P energy: -105.376 tors. eta vs tors. theta energy: -83.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1287.863152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.863152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.863152 (E_RNA) where: Base-Base interactions energy: -716.227 where: short stacking energy: -374.040 Base-Backbone interact. energy: -4.275 local terms energy: -567.360514 where: bonds (distance) C4'-P energy: -137.400 bonds (distance) P-C4' energy: -151.913 flat angles C4'-P-C4' energy: -153.057 flat angles P-C4'-P energy: -89.331 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: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -782.613680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.613680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.613680 (E_RNA) where: Base-Base interactions energy: -309.346 where: short stacking energy: -214.420 Base-Backbone interact. energy: 0.170 local terms energy: -473.437180 where: bonds (distance) C4'-P energy: -144.798 bonds (distance) P-C4' energy: -166.409 flat angles C4'-P-C4' energy: -127.807 flat angles P-C4'-P energy: -69.547 tors. eta vs tors. theta energy: 35.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -750.012575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.012575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.012575 (E_RNA) where: Base-Base interactions energy: -268.177 where: short stacking energy: -161.354 Base-Backbone interact. energy: 0.700 local terms energy: -482.536131 where: bonds (distance) C4'-P energy: -173.021 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -127.482 flat angles P-C4'-P energy: -66.139 tors. eta vs tors. theta energy: 36.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3001.566247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.566247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.566247 (E_RNA) where: Base-Base interactions energy: -2021.698 where: short stacking energy: -921.937 Base-Backbone interact. energy: -3.947 local terms energy: -975.920786 where: bonds (distance) C4'-P energy: -184.220 bonds (distance) P-C4' energy: -186.376 flat angles C4'-P-C4' energy: -199.400 flat angles P-C4'-P energy: -119.896 tors. eta vs tors. theta energy: -286.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2851.146529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.146529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.146529 (E_RNA) where: Base-Base interactions energy: -1905.827 where: short stacking energy: -836.532 Base-Backbone interact. energy: -0.381 local terms energy: -944.938862 where: bonds (distance) C4'-P energy: -182.712 bonds (distance) P-C4' energy: -176.729 flat angles C4'-P-C4' energy: -203.895 flat angles P-C4'-P energy: -136.178 tors. eta vs tors. theta energy: -245.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2639.723104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.723104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.723104 (E_RNA) where: Base-Base interactions energy: -1781.057 where: short stacking energy: -775.166 Base-Backbone interact. energy: -3.721 local terms energy: -854.944332 where: bonds (distance) C4'-P energy: -164.103 bonds (distance) P-C4' energy: -173.614 flat angles C4'-P-C4' energy: -193.490 flat angles P-C4'-P energy: -114.350 tors. eta vs tors. theta energy: -209.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2617.894002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.894002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.894002 (E_RNA) where: Base-Base interactions energy: -1773.138 where: short stacking energy: -788.934 Base-Backbone interact. energy: -2.702 local terms energy: -842.054660 where: bonds (distance) C4'-P energy: -165.317 bonds (distance) P-C4' energy: -151.478 flat angles C4'-P-C4' energy: -191.518 flat angles P-C4'-P energy: -109.175 tors. eta vs tors. theta energy: -224.567 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: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2255.884291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.884291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.884291 (E_RNA) where: Base-Base interactions energy: -1444.996 where: short stacking energy: -628.780 Base-Backbone interact. energy: -1.004 local terms energy: -809.884203 where: bonds (distance) C4'-P energy: -166.685 bonds (distance) P-C4' energy: -174.098 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -170.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2043.055635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.055635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.055635 (E_RNA) where: Base-Base interactions energy: -1278.595 where: short stacking energy: -597.006 Base-Backbone interact. energy: -2.778 local terms energy: -761.682382 where: bonds (distance) C4'-P energy: -168.681 bonds (distance) P-C4' energy: -165.198 flat angles C4'-P-C4' energy: -185.151 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -137.309 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: 185 Temperature: 1.200000 Total energy: -1733.898481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.898481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.898481 (E_RNA) where: Base-Base interactions energy: -1064.587 where: short stacking energy: -469.177 Base-Backbone interact. energy: -3.638 local terms energy: -665.673207 where: bonds (distance) C4'-P energy: -142.372 bonds (distance) P-C4' energy: -164.012 flat angles C4'-P-C4' energy: -169.877 flat angles P-C4'-P energy: -94.990 tors. eta vs tors. theta energy: -94.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1315.421063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.421063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.421063 (E_RNA) where: Base-Base interactions energy: -725.217 where: short stacking energy: -357.219 Base-Backbone interact. energy: -0.079 local terms energy: -590.125706 where: bonds (distance) C4'-P energy: -156.157 bonds (distance) P-C4' energy: -153.951 flat angles C4'-P-C4' energy: -142.051 flat angles P-C4'-P energy: -91.340 tors. eta vs tors. theta energy: -46.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -731.717027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.717027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.717027 (E_RNA) where: Base-Base interactions energy: -280.377 where: short stacking energy: -229.200 Base-Backbone interact. energy: 7.249 local terms energy: -458.589620 where: bonds (distance) C4'-P energy: -160.072 bonds (distance) P-C4' energy: -153.232 flat angles C4'-P-C4' energy: -98.439 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: 16.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -726.863122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.863122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.863122 (E_RNA) where: Base-Base interactions energy: -247.559 where: short stacking energy: -176.509 Base-Backbone interact. energy: 1.308 local terms energy: -480.611818 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -156.436 flat angles C4'-P-C4' energy: -124.510 flat angles P-C4'-P energy: -76.879 tors. eta vs tors. theta energy: 23.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2989.105342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.105342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.105342 (E_RNA) where: Base-Base interactions energy: -2006.623 where: short stacking energy: -917.753 Base-Backbone interact. energy: 2.054 local terms energy: -984.536493 where: bonds (distance) C4'-P energy: -195.468 bonds (distance) P-C4' energy: -186.404 flat angles C4'-P-C4' energy: -200.977 flat angles P-C4'-P energy: -129.642 tors. eta vs tors. theta energy: -272.045 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: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2897.138039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.138039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.138039 (E_RNA) where: Base-Base interactions energy: -1956.497 where: short stacking energy: -894.542 Base-Backbone interact. energy: -3.269 local terms energy: -937.372339 where: bonds (distance) C4'-P energy: -158.520 bonds (distance) P-C4' energy: -194.903 flat angles C4'-P-C4' energy: -203.121 flat angles P-C4'-P energy: -119.294 tors. eta vs tors. theta energy: -261.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2643.368876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.368876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.368876 (E_RNA) where: Base-Base interactions energy: -1797.380 where: short stacking energy: -793.147 Base-Backbone interact. energy: -5.632 local terms energy: -840.356564 where: bonds (distance) C4'-P energy: -155.255 bonds (distance) P-C4' energy: -170.038 flat angles C4'-P-C4' energy: -183.317 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -226.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2638.483688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.483688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.483688 (E_RNA) where: Base-Base interactions energy: -1771.584 where: short stacking energy: -740.972 Base-Backbone interact. energy: 1.041 local terms energy: -867.940267 where: bonds (distance) C4'-P energy: -182.471 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -184.440 flat angles P-C4'-P energy: -121.964 tors. eta vs tors. theta energy: -215.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2243.961922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.961922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.961922 (E_RNA) where: Base-Base interactions energy: -1479.456 where: short stacking energy: -673.382 Base-Backbone interact. energy: 3.818 local terms energy: -768.323510 where: bonds (distance) C4'-P energy: -159.858 bonds (distance) P-C4' energy: -140.250 flat angles C4'-P-C4' energy: -185.235 flat angles P-C4'-P energy: -121.758 tors. eta vs tors. theta energy: -161.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2123.042175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.042175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.042175 (E_RNA) where: Base-Base interactions energy: -1377.689 where: short stacking energy: -627.572 Base-Backbone interact. energy: -0.678 local terms energy: -744.675881 where: bonds (distance) C4'-P energy: -138.107 bonds (distance) P-C4' energy: -174.236 flat angles C4'-P-C4' energy: -162.793 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -159.951 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: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1724.591061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.591061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.591061 (E_RNA) where: Base-Base interactions energy: -1057.001 where: short stacking energy: -533.737 Base-Backbone interact. energy: 1.482 local terms energy: -669.071909 where: bonds (distance) C4'-P energy: -146.986 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -170.020 flat angles P-C4'-P energy: -101.420 tors. eta vs tors. theta energy: -117.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1321.893156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.893156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.893156 (E_RNA) where: Base-Base interactions energy: -744.745 where: short stacking energy: -377.785 Base-Backbone interact. energy: 4.119 local terms energy: -581.267363 where: bonds (distance) C4'-P energy: -169.076 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -133.475 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -50.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -807.718821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.718821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.718821 (E_RNA) where: Base-Base interactions energy: -330.306 where: short stacking energy: -236.404 Base-Backbone interact. energy: 2.583 local terms energy: -479.996009 where: bonds (distance) C4'-P energy: -154.686 bonds (distance) P-C4' energy: -159.287 flat angles C4'-P-C4' energy: -99.791 flat angles P-C4'-P energy: -84.594 tors. eta vs tors. theta energy: 18.362 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: 186 Temperature: 1.350000 Total energy: -696.260680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.260680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.260680 (E_RNA) where: Base-Base interactions energy: -231.513 where: short stacking energy: -185.013 Base-Backbone interact. energy: 4.696 local terms energy: -469.443755 where: bonds (distance) C4'-P energy: -131.912 bonds (distance) P-C4' energy: -141.651 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -84.026 tors. eta vs tors. theta energy: 29.100 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: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2981.979275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.979275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.979275 (E_RNA) where: Base-Base interactions energy: -2012.335 where: short stacking energy: -888.630 Base-Backbone interact. energy: -0.615 local terms energy: -969.028443 where: bonds (distance) C4'-P energy: -176.795 bonds (distance) P-C4' energy: -193.582 flat angles C4'-P-C4' energy: -204.790 flat angles P-C4'-P energy: -130.775 tors. eta vs tors. theta energy: -263.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2915.659328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.659328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.659328 (E_RNA) where: Base-Base interactions energy: -1968.090 where: short stacking energy: -893.642 Base-Backbone interact. energy: 1.979 local terms energy: -949.547892 where: bonds (distance) C4'-P energy: -167.735 bonds (distance) P-C4' energy: -175.763 flat angles C4'-P-C4' energy: -202.864 flat angles P-C4'-P energy: -138.192 tors. eta vs tors. theta energy: -264.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2686.172695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.172695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.172695 (E_RNA) where: Base-Base interactions energy: -1786.478 where: short stacking energy: -808.821 Base-Backbone interact. energy: -5.494 local terms energy: -894.200978 where: bonds (distance) C4'-P energy: -175.921 bonds (distance) P-C4' energy: -173.345 flat angles C4'-P-C4' energy: -181.888 flat angles P-C4'-P energy: -123.737 tors. eta vs tors. theta energy: -239.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2608.591135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.591135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.591135 (E_RNA) where: Base-Base interactions energy: -1744.382 where: short stacking energy: -736.773 Base-Backbone interact. energy: -4.305 local terms energy: -859.904195 where: bonds (distance) C4'-P energy: -168.572 bonds (distance) P-C4' energy: -174.766 flat angles C4'-P-C4' energy: -194.948 flat angles P-C4'-P energy: -106.532 tors. eta vs tors. theta energy: -215.087 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: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2196.686831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.686831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.686831 (E_RNA) where: Base-Base interactions energy: -1427.342 where: short stacking energy: -629.998 Base-Backbone interact. energy: 4.205 local terms energy: -773.548986 where: bonds (distance) C4'-P energy: -160.620 bonds (distance) P-C4' energy: -162.028 flat angles C4'-P-C4' energy: -177.845 flat angles P-C4'-P energy: -106.673 tors. eta vs tors. theta energy: -166.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2080.992869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.992869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.992869 (E_RNA) where: Base-Base interactions energy: -1334.080 where: short stacking energy: -624.601 Base-Backbone interact. energy: 3.084 local terms energy: -749.996605 where: bonds (distance) C4'-P energy: -155.099 bonds (distance) P-C4' energy: -165.025 flat angles C4'-P-C4' energy: -167.323 flat angles P-C4'-P energy: -100.642 tors. eta vs tors. theta energy: -161.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1652.777253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.777253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.777253 (E_RNA) where: Base-Base interactions energy: -1016.270 where: short stacking energy: -502.187 Base-Backbone interact. energy: -0.670 local terms energy: -635.836755 where: bonds (distance) C4'-P energy: -141.592 bonds (distance) P-C4' energy: -160.259 flat angles C4'-P-C4' energy: -160.887 flat angles P-C4'-P energy: -87.082 tors. eta vs tors. theta energy: -86.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1321.490359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.490359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.490359 (E_RNA) where: Base-Base interactions energy: -742.550 where: short stacking energy: -367.218 Base-Backbone interact. energy: -2.680 local terms energy: -576.260571 where: bonds (distance) C4'-P energy: -143.488 bonds (distance) P-C4' energy: -170.260 flat angles C4'-P-C4' energy: -146.631 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -30.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -790.726505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.726505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.726505 (E_RNA) where: Base-Base interactions energy: -302.816 where: short stacking energy: -226.526 Base-Backbone interact. energy: 7.307 local terms energy: -495.217738 where: bonds (distance) C4'-P energy: -156.654 bonds (distance) P-C4' energy: -162.290 flat angles C4'-P-C4' energy: -145.866 flat angles P-C4'-P energy: -63.377 tors. eta vs tors. theta energy: 32.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -651.834005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.834005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.834005 (E_RNA) where: Base-Base interactions energy: -232.011 where: short stacking energy: -183.086 Base-Backbone interact. energy: 5.572 local terms energy: -425.395786 where: bonds (distance) C4'-P energy: -151.813 bonds (distance) P-C4' energy: -157.051 flat angles C4'-P-C4' energy: -110.471 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: 42.603 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: 1, replica: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2997.227963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.227963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.227963 (E_RNA) where: Base-Base interactions energy: -1988.297 where: short stacking energy: -931.475 Base-Backbone interact. energy: -4.495 local terms energy: -1004.435392 where: bonds (distance) C4'-P energy: -176.672 bonds (distance) P-C4' energy: -188.437 flat angles C4'-P-C4' energy: -217.856 flat angles P-C4'-P energy: -139.095 tors. eta vs tors. theta energy: -282.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2927.062602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.062602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.062602 (E_RNA) where: Base-Base interactions energy: -1956.326 where: short stacking energy: -883.506 Base-Backbone interact. energy: -0.195 local terms energy: -970.542011 where: bonds (distance) C4'-P energy: -181.466 bonds (distance) P-C4' energy: -177.258 flat angles C4'-P-C4' energy: -204.725 flat angles P-C4'-P energy: -124.086 tors. eta vs tors. theta energy: -283.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2676.823296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.823296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.823296 (E_RNA) where: Base-Base interactions energy: -1780.940 where: short stacking energy: -799.707 Base-Backbone interact. energy: -1.895 local terms energy: -893.988230 where: bonds (distance) C4'-P energy: -163.687 bonds (distance) P-C4' energy: -185.557 flat angles C4'-P-C4' energy: -204.107 flat angles P-C4'-P energy: -108.040 tors. eta vs tors. theta energy: -232.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2531.074155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.074155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.074155 (E_RNA) where: Base-Base interactions energy: -1693.477 where: short stacking energy: -744.055 Base-Backbone interact. energy: 0.376 local terms energy: -837.973947 where: bonds (distance) C4'-P energy: -156.741 bonds (distance) P-C4' energy: -175.650 flat angles C4'-P-C4' energy: -195.922 flat angles P-C4'-P energy: -101.096 tors. eta vs tors. theta energy: -208.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2159.706017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.706017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.706017 (E_RNA) where: Base-Base interactions energy: -1374.906 where: short stacking energy: -597.585 Base-Backbone interact. energy: 1.968 local terms energy: -786.768646 where: bonds (distance) C4'-P energy: -160.591 bonds (distance) P-C4' energy: -176.082 flat angles C4'-P-C4' energy: -174.534 flat angles P-C4'-P energy: -124.091 tors. eta vs tors. theta energy: -151.471 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: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2137.230139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.230139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.230139 (E_RNA) where: Base-Base interactions energy: -1421.694 where: short stacking energy: -606.172 Base-Backbone interact. energy: -3.380 local terms energy: -712.156835 where: bonds (distance) C4'-P energy: -141.299 bonds (distance) P-C4' energy: -152.856 flat angles C4'-P-C4' energy: -164.444 flat angles P-C4'-P energy: -98.805 tors. eta vs tors. theta energy: -154.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1730.624082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.624082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.624082 (E_RNA) where: Base-Base interactions energy: -1068.950 where: short stacking energy: -507.094 Base-Backbone interact. energy: -0.467 local terms energy: -661.207791 where: bonds (distance) C4'-P energy: -143.999 bonds (distance) P-C4' energy: -162.417 flat angles C4'-P-C4' energy: -144.071 flat angles P-C4'-P energy: -101.489 tors. eta vs tors. theta energy: -109.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1214.091171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.091171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.091171 (E_RNA) where: Base-Base interactions energy: -664.864 where: short stacking energy: -339.745 Base-Backbone interact. energy: 0.476 local terms energy: -549.703637 where: bonds (distance) C4'-P energy: -157.814 bonds (distance) P-C4' energy: -157.756 flat angles C4'-P-C4' energy: -144.883 flat angles P-C4'-P energy: -66.495 tors. eta vs tors. theta energy: -22.756 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: 188 Temperature: 1.300000 Total energy: -792.618636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.618636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.618636 (E_RNA) where: Base-Base interactions energy: -314.419 where: short stacking energy: -209.869 Base-Backbone interact. energy: -0.065 local terms energy: -478.134241 where: bonds (distance) C4'-P energy: -147.338 bonds (distance) P-C4' energy: -155.509 flat angles C4'-P-C4' energy: -129.311 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: 32.630 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: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -708.117529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.117529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.117529 (E_RNA) where: Base-Base interactions energy: -257.354 where: short stacking energy: -231.768 Base-Backbone interact. energy: -1.326 local terms energy: -449.437621 where: bonds (distance) C4'-P energy: -126.182 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -130.040 flat angles P-C4'-P energy: -60.948 tors. eta vs tors. theta energy: 14.845 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: 1, replica: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2986.849429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.849429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.849429 (E_RNA) where: Base-Base interactions energy: -1981.580 where: short stacking energy: -887.002 Base-Backbone interact. energy: -2.190 local terms energy: -1003.079643 where: bonds (distance) C4'-P energy: -188.777 bonds (distance) P-C4' energy: -192.001 flat angles C4'-P-C4' energy: -212.970 flat angles P-C4'-P energy: -134.437 tors. eta vs tors. theta energy: -274.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2911.585555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.585555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.585555 (E_RNA) where: Base-Base interactions energy: -1976.067 where: short stacking energy: -884.557 Base-Backbone interact. energy: -1.193 local terms energy: -934.325249 where: bonds (distance) C4'-P energy: -170.756 bonds (distance) P-C4' energy: -192.464 flat angles C4'-P-C4' energy: -198.556 flat angles P-C4'-P energy: -110.336 tors. eta vs tors. theta energy: -262.213 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: 189 Temperature: 1.000000 Total energy: -2701.558305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.558305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.558305 (E_RNA) where: Base-Base interactions energy: -1816.286 where: short stacking energy: -834.995 Base-Backbone interact. energy: 1.267 local terms energy: -886.539113 where: bonds (distance) C4'-P energy: -167.141 bonds (distance) P-C4' energy: -181.322 flat angles C4'-P-C4' energy: -184.224 flat angles P-C4'-P energy: -120.762 tors. eta vs tors. theta energy: -233.090 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: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2532.416752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.416752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.416752 (E_RNA) where: Base-Base interactions energy: -1680.487 where: short stacking energy: -738.352 Base-Backbone interact. energy: 1.462 local terms energy: -853.391085 where: bonds (distance) C4'-P energy: -170.748 bonds (distance) P-C4' energy: -154.341 flat angles C4'-P-C4' energy: -190.045 flat angles P-C4'-P energy: -129.544 tors. eta vs tors. theta energy: -208.714 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: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2205.702644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.702644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.702644 (E_RNA) where: Base-Base interactions energy: -1438.901 where: short stacking energy: -626.682 Base-Backbone interact. energy: 3.454 local terms energy: -770.255803 where: bonds (distance) C4'-P energy: -168.241 bonds (distance) P-C4' energy: -172.090 flat angles C4'-P-C4' energy: -171.525 flat angles P-C4'-P energy: -107.103 tors. eta vs tors. theta energy: -151.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2177.969641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.969641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.969641 (E_RNA) where: Base-Base interactions energy: -1438.443 where: short stacking energy: -630.314 Base-Backbone interact. energy: -4.208 local terms energy: -735.318285 where: bonds (distance) C4'-P energy: -150.844 bonds (distance) P-C4' energy: -151.329 flat angles C4'-P-C4' energy: -178.484 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -152.834 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: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1719.258488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.258488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.258488 (E_RNA) where: Base-Base interactions energy: -1080.928 where: short stacking energy: -515.665 Base-Backbone interact. energy: -1.334 local terms energy: -636.996447 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -146.174 flat angles C4'-P-C4' energy: -169.901 flat angles P-C4'-P energy: -59.064 tors. eta vs tors. theta energy: -108.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1268.752166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.752166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.752166 (E_RNA) where: Base-Base interactions energy: -703.229 where: short stacking energy: -364.166 Base-Backbone interact. energy: 1.383 local terms energy: -566.905783 where: bonds (distance) C4'-P energy: -152.514 bonds (distance) P-C4' energy: -141.978 flat angles C4'-P-C4' energy: -139.680 flat angles P-C4'-P energy: -84.313 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: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -846.913738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.913738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.913738 (E_RNA) where: Base-Base interactions energy: -355.964 where: short stacking energy: -233.941 Base-Backbone interact. energy: -2.719 local terms energy: -488.231059 where: bonds (distance) C4'-P energy: -149.979 bonds (distance) P-C4' energy: -177.032 flat angles C4'-P-C4' energy: -97.600 flat angles P-C4'-P energy: -74.483 tors. eta vs tors. theta energy: 10.863 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: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -737.602316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.602316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.602316 (E_RNA) where: Base-Base interactions energy: -284.453 where: short stacking energy: -192.956 Base-Backbone interact. energy: 1.726 local terms energy: -454.875336 where: bonds (distance) C4'-P energy: -119.035 bonds (distance) P-C4' energy: -167.706 flat angles C4'-P-C4' energy: -110.107 flat angles P-C4'-P energy: -93.856 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: 1, replica: 2 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3036.670547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.670547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.670547 (E_RNA) where: Base-Base interactions energy: -2055.428 where: short stacking energy: -932.202 Base-Backbone interact. energy: -2.962 local terms energy: -978.280730 where: bonds (distance) C4'-P energy: -177.267 bonds (distance) P-C4' energy: -180.894 flat angles C4'-P-C4' energy: -209.417 flat angles P-C4'-P energy: -134.657 tors. eta vs tors. theta energy: -276.045 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: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2896.022208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.022208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.022208 (E_RNA) where: Base-Base interactions energy: -1963.693 where: short stacking energy: -906.854 Base-Backbone interact. energy: -2.816 local terms energy: -929.513292 where: bonds (distance) C4'-P energy: -159.739 bonds (distance) P-C4' energy: -180.329 flat angles C4'-P-C4' energy: -199.150 flat angles P-C4'-P energy: -112.976 tors. eta vs tors. theta energy: -277.319 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: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2651.485488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.485488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.485488 (E_RNA) where: Base-Base interactions energy: -1751.802 where: short stacking energy: -787.865 Base-Backbone interact. energy: 4.174 local terms energy: -903.857727 where: bonds (distance) C4'-P energy: -176.899 bonds (distance) P-C4' energy: -176.105 flat angles C4'-P-C4' energy: -186.307 flat angles P-C4'-P energy: -132.806 tors. eta vs tors. theta energy: -231.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2538.929053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.929053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.929053 (E_RNA) where: Base-Base interactions energy: -1687.270 where: short stacking energy: -744.057 Base-Backbone interact. energy: 5.337 local terms energy: -856.996250 where: bonds (distance) C4'-P energy: -168.321 bonds (distance) P-C4' energy: -170.313 flat angles C4'-P-C4' energy: -187.527 flat angles P-C4'-P energy: -113.658 tors. eta vs tors. theta energy: -217.177 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: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2233.469264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.469264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.469264 (E_RNA) where: Base-Base interactions energy: -1434.275 where: short stacking energy: -659.672 Base-Backbone interact. energy: 1.268 local terms energy: -800.462741 where: bonds (distance) C4'-P energy: -161.927 bonds (distance) P-C4' energy: -163.873 flat angles C4'-P-C4' energy: -190.215 flat angles P-C4'-P energy: -113.426 tors. eta vs tors. theta energy: -171.022 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: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2107.639115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.639115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.639115 (E_RNA) where: Base-Base interactions energy: -1378.697 where: short stacking energy: -593.174 Base-Backbone interact. energy: -5.297 local terms energy: -723.645050 where: bonds (distance) C4'-P energy: -155.488 bonds (distance) P-C4' energy: -157.560 flat angles C4'-P-C4' energy: -176.022 flat angles P-C4'-P energy: -93.124 tors. eta vs tors. theta energy: -141.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1768.024170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.024170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.024170 (E_RNA) where: Base-Base interactions energy: -1110.898 where: short stacking energy: -492.736 Base-Backbone interact. energy: 1.629 local terms energy: -658.755019 where: bonds (distance) C4'-P energy: -144.986 bonds (distance) P-C4' energy: -156.053 flat angles C4'-P-C4' energy: -162.942 flat angles P-C4'-P energy: -100.778 tors. eta vs tors. theta energy: -93.996 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: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1256.831089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.831089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.831089 (E_RNA) where: Base-Base interactions energy: -700.561 where: short stacking energy: -378.786 Base-Backbone interact. energy: 2.997 local terms energy: -559.267648 where: bonds (distance) C4'-P energy: -136.842 bonds (distance) P-C4' energy: -170.537 flat angles C4'-P-C4' energy: -113.986 flat angles P-C4'-P energy: -81.566 tors. eta vs tors. theta energy: -56.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -910.113534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.113534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.113534 (E_RNA) where: Base-Base interactions energy: -406.898 where: short stacking energy: -288.998 Base-Backbone interact. energy: 0.236 local terms energy: -503.451729 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -160.829 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: -10.679 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: 190 Temperature: 1.350000 Total energy: -727.885009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.885009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.885009 (E_RNA) where: Base-Base interactions energy: -311.748 where: short stacking energy: -222.909 Base-Backbone interact. energy: 9.147 local terms energy: -425.284364 where: bonds (distance) C4'-P energy: -130.749 bonds (distance) P-C4' energy: -135.007 flat angles C4'-P-C4' energy: -99.462 flat angles P-C4'-P energy: -81.132 tors. eta vs tors. theta energy: 21.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2988.959946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.959946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.959946 (E_RNA) where: Base-Base interactions energy: -1991.251 where: short stacking energy: -929.350 Base-Backbone interact. energy: -4.269 local terms energy: -993.439928 where: bonds (distance) C4'-P energy: -183.961 bonds (distance) P-C4' energy: -185.342 flat angles C4'-P-C4' energy: -207.617 flat angles P-C4'-P energy: -131.749 tors. eta vs tors. theta energy: -284.771 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: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2906.603831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.603831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.603831 (E_RNA) where: Base-Base interactions energy: -1971.086 where: short stacking energy: -866.000 Base-Backbone interact. energy: -5.481 local terms energy: -930.037517 where: bonds (distance) C4'-P energy: -164.436 bonds (distance) P-C4' energy: -185.456 flat angles C4'-P-C4' energy: -201.989 flat angles P-C4'-P energy: -131.422 tors. eta vs tors. theta energy: -246.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2716.390565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.390565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.390565 (E_RNA) where: Base-Base interactions energy: -1793.319 where: short stacking energy: -791.061 Base-Backbone interact. energy: -0.176 local terms energy: -922.895385 where: bonds (distance) C4'-P energy: -184.696 bonds (distance) P-C4' energy: -190.060 flat angles C4'-P-C4' energy: -190.214 flat angles P-C4'-P energy: -127.088 tors. eta vs tors. theta energy: -230.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2546.199047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.199047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.199047 (E_RNA) where: Base-Base interactions energy: -1694.481 where: short stacking energy: -724.406 Base-Backbone interact. energy: -1.502 local terms energy: -850.216377 where: bonds (distance) C4'-P energy: -170.836 bonds (distance) P-C4' energy: -170.468 flat angles C4'-P-C4' energy: -183.964 flat angles P-C4'-P energy: -122.428 tors. eta vs tors. theta energy: -202.520 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: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2244.144398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.144398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.144398 (E_RNA) where: Base-Base interactions energy: -1451.082 where: short stacking energy: -634.776 Base-Backbone interact. energy: -0.079 local terms energy: -792.984107 where: bonds (distance) C4'-P energy: -158.072 bonds (distance) P-C4' energy: -183.736 flat angles C4'-P-C4' energy: -180.361 flat angles P-C4'-P energy: -103.738 tors. eta vs tors. theta energy: -167.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2153.309028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.309028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.309028 (E_RNA) where: Base-Base interactions energy: -1448.379 where: short stacking energy: -627.490 Base-Backbone interact. energy: 3.372 local terms energy: -708.301735 where: bonds (distance) C4'-P energy: -155.737 bonds (distance) P-C4' energy: -156.652 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -83.060 tors. eta vs tors. theta energy: -152.404 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1791.722714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.722714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.722714 (E_RNA) where: Base-Base interactions energy: -1099.761 where: short stacking energy: -496.583 Base-Backbone interact. energy: -1.805 local terms energy: -690.156669 where: bonds (distance) C4'-P energy: -144.451 bonds (distance) P-C4' energy: -156.380 flat angles C4'-P-C4' energy: -169.299 flat angles P-C4'-P energy: -108.963 tors. eta vs tors. theta energy: -111.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1326.634497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.634497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.634497 (E_RNA) where: Base-Base interactions energy: -754.958 where: short stacking energy: -360.116 Base-Backbone interact. energy: 2.749 local terms energy: -574.425011 where: bonds (distance) C4'-P energy: -150.202 bonds (distance) P-C4' energy: -157.533 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -79.754 tors. eta vs tors. theta energy: -55.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -867.351628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.351628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.351628 (E_RNA) where: Base-Base interactions energy: -358.508 where: short stacking energy: -256.594 Base-Backbone interact. energy: -1.647 local terms energy: -507.196765 where: bonds (distance) C4'-P energy: -154.043 bonds (distance) P-C4' energy: -148.712 flat angles C4'-P-C4' energy: -122.793 flat angles P-C4'-P energy: -76.571 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -725.830402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.830402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.830402 (E_RNA) where: Base-Base interactions energy: -281.289 where: short stacking energy: -201.289 Base-Backbone interact. energy: -4.484 local terms energy: -440.056990 where: bonds (distance) C4'-P energy: -146.332 bonds (distance) P-C4' energy: -142.707 flat angles C4'-P-C4' energy: -103.634 flat angles P-C4'-P energy: -73.071 tors. eta vs tors. theta energy: 25.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2957.189583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.189583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.189583 (E_RNA) where: Base-Base interactions energy: -1996.009 where: short stacking energy: -883.594 Base-Backbone interact. energy: -2.817 local terms energy: -958.363975 where: bonds (distance) C4'-P energy: -170.695 bonds (distance) P-C4' energy: -183.379 flat angles C4'-P-C4' energy: -197.871 flat angles P-C4'-P energy: -135.914 tors. eta vs tors. theta energy: -270.505 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: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2918.970754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.970754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.970754 (E_RNA) where: Base-Base interactions energy: -1945.563 where: short stacking energy: -880.367 Base-Backbone interact. energy: -2.998 local terms energy: -970.409204 where: bonds (distance) C4'-P energy: -171.295 bonds (distance) P-C4' energy: -179.517 flat angles C4'-P-C4' energy: -210.569 flat angles P-C4'-P energy: -141.407 tors. eta vs tors. theta energy: -267.621 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: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2745.042784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.042784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.042784 (E_RNA) where: Base-Base interactions energy: -1818.865 where: short stacking energy: -809.492 Base-Backbone interact. energy: -0.627 local terms energy: -925.551239 where: bonds (distance) C4'-P energy: -178.304 bonds (distance) P-C4' energy: -172.364 flat angles C4'-P-C4' energy: -206.821 flat angles P-C4'-P energy: -124.258 tors. eta vs tors. theta energy: -243.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2564.277931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.277931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.277931 (E_RNA) where: Base-Base interactions energy: -1691.555 where: short stacking energy: -751.668 Base-Backbone interact. energy: -4.439 local terms energy: -868.284020 where: bonds (distance) C4'-P energy: -161.128 bonds (distance) P-C4' energy: -185.473 flat angles C4'-P-C4' energy: -177.562 flat angles P-C4'-P energy: -128.957 tors. eta vs tors. theta energy: -215.163 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: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2233.403489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.403489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.403489 (E_RNA) where: Base-Base interactions energy: -1475.634 where: short stacking energy: -662.288 Base-Backbone interact. energy: -2.870 local terms energy: -754.899670 where: bonds (distance) C4'-P energy: -150.728 bonds (distance) P-C4' energy: -166.552 flat angles C4'-P-C4' energy: -154.779 flat angles P-C4'-P energy: -119.728 tors. eta vs tors. theta energy: -163.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2089.392702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.392702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.392702 (E_RNA) where: Base-Base interactions energy: -1345.817 where: short stacking energy: -577.454 Base-Backbone interact. energy: -0.181 local terms energy: -743.394943 where: bonds (distance) C4'-P energy: -164.103 bonds (distance) P-C4' energy: -166.459 flat angles C4'-P-C4' energy: -166.571 flat angles P-C4'-P energy: -109.688 tors. eta vs tors. theta energy: -136.575 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: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1775.076082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.076082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.076082 (E_RNA) where: Base-Base interactions energy: -1131.243 where: short stacking energy: -498.336 Base-Backbone interact. energy: 6.293 local terms energy: -650.126291 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -168.222 flat angles C4'-P-C4' energy: -158.398 flat angles P-C4'-P energy: -76.401 tors. eta vs tors. theta energy: -102.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1324.899540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.899540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.899540 (E_RNA) where: Base-Base interactions energy: -744.950 where: short stacking energy: -393.106 Base-Backbone interact. energy: -2.037 local terms energy: -577.911884 where: bonds (distance) C4'-P energy: -159.499 bonds (distance) P-C4' energy: -158.508 flat angles C4'-P-C4' energy: -134.372 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: -52.811 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: 192 Temperature: 1.300000 Total energy: -828.976936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.976936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.976936 (E_RNA) where: Base-Base interactions energy: -328.322 where: short stacking energy: -222.183 Base-Backbone interact. energy: 3.663 local terms energy: -504.317732 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -167.630 flat angles C4'-P-C4' energy: -141.418 flat angles P-C4'-P energy: -68.541 tors. eta vs tors. theta energy: 8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -680.599680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.599680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.599680 (E_RNA) where: Base-Base interactions energy: -247.090 where: short stacking energy: -207.589 Base-Backbone interact. energy: 0.559 local terms energy: -434.068766 where: bonds (distance) C4'-P energy: -113.527 bonds (distance) P-C4' energy: -159.193 flat angles C4'-P-C4' energy: -113.686 flat angles P-C4'-P energy: -81.107 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: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3002.395089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.395089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.395089 (E_RNA) where: Base-Base interactions energy: -2036.433 where: short stacking energy: -889.660 Base-Backbone interact. energy: -0.847 local terms energy: -965.114732 where: bonds (distance) C4'-P energy: -193.280 bonds (distance) P-C4' energy: -177.577 flat angles C4'-P-C4' energy: -211.933 flat angles P-C4'-P energy: -121.911 tors. eta vs tors. theta energy: -260.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2937.947902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.947902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.947902 (E_RNA) where: Base-Base interactions energy: -1948.798 where: short stacking energy: -892.929 Base-Backbone interact. energy: -4.351 local terms energy: -984.798814 where: bonds (distance) C4'-P energy: -185.542 bonds (distance) P-C4' energy: -175.321 flat angles C4'-P-C4' energy: -204.956 flat angles P-C4'-P energy: -138.311 tors. eta vs tors. theta energy: -280.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2749.788647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.788647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.788647 (E_RNA) where: Base-Base interactions energy: -1884.515 where: short stacking energy: -807.191 Base-Backbone interact. energy: 3.774 local terms energy: -869.047613 where: bonds (distance) C4'-P energy: -149.124 bonds (distance) P-C4' energy: -171.536 flat angles C4'-P-C4' energy: -199.020 flat angles P-C4'-P energy: -112.145 tors. eta vs tors. theta energy: -237.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2539.340076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.340076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.340076 (E_RNA) where: Base-Base interactions energy: -1692.946 where: short stacking energy: -733.732 Base-Backbone interact. energy: -5.392 local terms energy: -841.001551 where: bonds (distance) C4'-P energy: -173.723 bonds (distance) P-C4' energy: -174.426 flat angles C4'-P-C4' energy: -174.415 flat angles P-C4'-P energy: -113.137 tors. eta vs tors. theta energy: -205.300 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: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2303.498896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.498896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.498896 (E_RNA) where: Base-Base interactions energy: -1536.643 where: short stacking energy: -631.573 Base-Backbone interact. energy: -2.963 local terms energy: -763.892993 where: bonds (distance) C4'-P energy: -165.418 bonds (distance) P-C4' energy: -168.033 flat angles C4'-P-C4' energy: -162.827 flat angles P-C4'-P energy: -114.549 tors. eta vs tors. theta energy: -153.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2106.352343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.352343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.352343 (E_RNA) where: Base-Base interactions energy: -1370.675 where: short stacking energy: -611.730 Base-Backbone interact. energy: -0.492 local terms energy: -735.185420 where: bonds (distance) C4'-P energy: -148.954 bonds (distance) P-C4' energy: -164.446 flat angles C4'-P-C4' energy: -162.451 flat angles P-C4'-P energy: -108.613 tors. eta vs tors. theta energy: -150.722 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1749.288460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.288460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.288460 (E_RNA) where: Base-Base interactions energy: -1057.218 where: short stacking energy: -458.609 Base-Backbone interact. energy: 5.956 local terms energy: -698.025912 where: bonds (distance) C4'-P energy: -158.528 bonds (distance) P-C4' energy: -158.055 flat angles C4'-P-C4' energy: -160.207 flat angles P-C4'-P energy: -116.033 tors. eta vs tors. theta energy: -105.204 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: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1344.039160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.039160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.039160 (E_RNA) where: Base-Base interactions energy: -774.791 where: short stacking energy: -403.095 Base-Backbone interact. energy: -1.612 local terms energy: -567.636179 where: bonds (distance) C4'-P energy: -145.017 bonds (distance) P-C4' energy: -150.779 flat angles C4'-P-C4' energy: -148.968 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -39.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -821.588992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.588992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.588992 (E_RNA) where: Base-Base interactions energy: -360.321 where: short stacking energy: -255.643 Base-Backbone interact. energy: 3.030 local terms energy: -464.297994 where: bonds (distance) C4'-P energy: -126.437 bonds (distance) P-C4' energy: -154.710 flat angles C4'-P-C4' energy: -134.774 flat angles P-C4'-P energy: -70.279 tors. eta vs tors. theta energy: 21.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -681.471694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.471694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.471694 (E_RNA) where: Base-Base interactions energy: -254.615 where: short stacking energy: -199.684 Base-Backbone interact. energy: 7.855 local terms energy: -434.712409 where: bonds (distance) C4'-P energy: -112.631 bonds (distance) P-C4' energy: -155.118 flat angles C4'-P-C4' energy: -116.334 flat angles P-C4'-P energy: -77.896 tors. eta vs tors. theta energy: 27.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3007.062353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.062353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.062353 (E_RNA) where: Base-Base interactions energy: -2026.382 where: short stacking energy: -922.691 Base-Backbone interact. energy: 1.180 local terms energy: -981.860016 where: bonds (distance) C4'-P energy: -180.663 bonds (distance) P-C4' energy: -185.291 flat angles C4'-P-C4' energy: -202.728 flat angles P-C4'-P energy: -140.322 tors. eta vs tors. theta energy: -272.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2969.614986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.614986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.614986 (E_RNA) where: Base-Base interactions energy: -2002.438 where: short stacking energy: -908.539 Base-Backbone interact. energy: -1.400 local terms energy: -965.777103 where: bonds (distance) C4'-P energy: -167.400 bonds (distance) P-C4' energy: -188.663 flat angles C4'-P-C4' energy: -201.537 flat angles P-C4'-P energy: -131.826 tors. eta vs tors. theta energy: -276.352 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: 194 Temperature: 1.000000 Total energy: -2765.673703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.673703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.673703 (E_RNA) where: Base-Base interactions energy: -1868.228 where: short stacking energy: -837.670 Base-Backbone interact. energy: -4.493 local terms energy: -892.953091 where: bonds (distance) C4'-P energy: -161.462 bonds (distance) P-C4' energy: -161.477 flat angles C4'-P-C4' energy: -191.499 flat angles P-C4'-P energy: -136.290 tors. eta vs tors. theta energy: -242.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2531.479843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.479843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.479843 (E_RNA) where: Base-Base interactions energy: -1711.261 where: short stacking energy: -746.290 Base-Backbone interact. energy: -0.507 local terms energy: -819.711759 where: bonds (distance) C4'-P energy: -160.523 bonds (distance) P-C4' energy: -157.299 flat angles C4'-P-C4' energy: -191.056 flat angles P-C4'-P energy: -100.166 tors. eta vs tors. theta energy: -210.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2265.765415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.765415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.765415 (E_RNA) where: Base-Base interactions energy: -1474.447 where: short stacking energy: -636.081 Base-Backbone interact. energy: 0.057 local terms energy: -791.375055 where: bonds (distance) C4'-P energy: -165.097 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -180.163 flat angles P-C4'-P energy: -116.900 tors. eta vs tors. theta energy: -172.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2055.757247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.757247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.757247 (E_RNA) where: Base-Base interactions energy: -1341.291 where: short stacking energy: -558.808 Base-Backbone interact. energy: -4.611 local terms energy: -709.855499 where: bonds (distance) C4'-P energy: -140.077 bonds (distance) P-C4' energy: -153.831 flat angles C4'-P-C4' energy: -163.701 flat angles P-C4'-P energy: -111.440 tors. eta vs tors. theta energy: -140.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1770.231043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.231043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.231043 (E_RNA) where: Base-Base interactions energy: -1116.821 where: short stacking energy: -525.216 Base-Backbone interact. energy: 1.735 local terms energy: -655.144684 where: bonds (distance) C4'-P energy: -145.015 bonds (distance) P-C4' energy: -146.412 flat angles C4'-P-C4' energy: -166.876 flat angles P-C4'-P energy: -97.054 tors. eta vs tors. theta energy: -99.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1315.852099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.852099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.852099 (E_RNA) where: Base-Base interactions energy: -713.628 where: short stacking energy: -340.271 Base-Backbone interact. energy: -0.846 local terms energy: -601.378288 where: bonds (distance) C4'-P energy: -141.048 bonds (distance) P-C4' energy: -178.866 flat angles C4'-P-C4' energy: -149.598 flat angles P-C4'-P energy: -94.062 tors. eta vs tors. theta energy: -37.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -840.191830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.191830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.191830 (E_RNA) where: Base-Base interactions energy: -366.302 where: short stacking energy: -226.303 Base-Backbone interact. energy: 0.478 local terms energy: -474.367590 where: bonds (distance) C4'-P energy: -142.267 bonds (distance) P-C4' energy: -145.808 flat angles C4'-P-C4' energy: -114.331 flat angles P-C4'-P energy: -78.222 tors. eta vs tors. theta energy: 6.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -666.483038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.483038 (E_RNA) where: Base-Base interactions energy: -200.158 where: short stacking energy: -149.800 Base-Backbone interact. energy: -2.362 local terms energy: -463.963832 where: bonds (distance) C4'-P energy: -146.447 bonds (distance) P-C4' energy: -160.583 flat angles C4'-P-C4' energy: -129.238 flat angles P-C4'-P energy: -78.265 tors. eta vs tors. theta energy: 50.569 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: 195 Temperature: 0.900000 Total energy: -3007.370379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.370379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.370379 (E_RNA) where: Base-Base interactions energy: -2032.141 where: short stacking energy: -913.796 Base-Backbone interact. energy: -4.335 local terms energy: -970.894374 where: bonds (distance) C4'-P energy: -171.264 bonds (distance) P-C4' energy: -187.218 flat angles C4'-P-C4' energy: -213.197 flat angles P-C4'-P energy: -138.915 tors. eta vs tors. theta energy: -260.300 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: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2887.128034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.128034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.128034 (E_RNA) where: Base-Base interactions energy: -1952.715 where: short stacking energy: -850.800 Base-Backbone interact. energy: -0.922 local terms energy: -933.490130 where: bonds (distance) C4'-P energy: -156.072 bonds (distance) P-C4' energy: -189.393 flat angles C4'-P-C4' energy: -197.583 flat angles P-C4'-P energy: -134.786 tors. eta vs tors. theta energy: -255.656 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: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2746.468621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.468621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.468621 (E_RNA) where: Base-Base interactions energy: -1818.881 where: short stacking energy: -820.041 Base-Backbone interact. energy: 1.379 local terms energy: -928.966051 where: bonds (distance) C4'-P energy: -168.610 bonds (distance) P-C4' energy: -170.059 flat angles C4'-P-C4' energy: -212.102 flat angles P-C4'-P energy: -135.757 tors. eta vs tors. theta energy: -242.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2418.433855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.433855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.433855 (E_RNA) where: Base-Base interactions energy: -1599.474 where: short stacking energy: -712.671 Base-Backbone interact. energy: -3.909 local terms energy: -815.050890 where: bonds (distance) C4'-P energy: -168.073 bonds (distance) P-C4' energy: -159.274 flat angles C4'-P-C4' energy: -190.583 flat angles P-C4'-P energy: -106.044 tors. eta vs tors. theta energy: -191.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2318.058988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.058988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.058988 (E_RNA) where: Base-Base interactions energy: -1547.157 where: short stacking energy: -690.091 Base-Backbone interact. energy: -2.464 local terms energy: -768.438251 where: bonds (distance) C4'-P energy: -153.836 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -174.637 flat angles P-C4'-P energy: -102.056 tors. eta vs tors. theta energy: -181.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2063.391279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.391279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.391279 (E_RNA) where: Base-Base interactions energy: -1288.957 where: short stacking energy: -555.153 Base-Backbone interact. energy: -1.157 local terms energy: -773.277601 where: bonds (distance) C4'-P energy: -169.645 bonds (distance) P-C4' energy: -177.050 flat angles C4'-P-C4' energy: -174.333 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -143.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1766.591272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.591272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.591272 (E_RNA) where: Base-Base interactions energy: -1104.749 where: short stacking energy: -489.286 Base-Backbone interact. energy: -1.866 local terms energy: -659.976290 where: bonds (distance) C4'-P energy: -160.292 bonds (distance) P-C4' energy: -153.978 flat angles C4'-P-C4' energy: -123.236 flat angles P-C4'-P energy: -109.665 tors. eta vs tors. theta energy: -112.805 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: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1245.683171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.683171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.683171 (E_RNA) where: Base-Base interactions energy: -685.698 where: short stacking energy: -349.230 Base-Backbone interact. energy: 3.353 local terms energy: -563.338232 where: bonds (distance) C4'-P energy: -150.251 bonds (distance) P-C4' energy: -157.074 flat angles C4'-P-C4' energy: -142.774 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -24.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -918.110223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.110223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.110223 (E_RNA) where: Base-Base interactions energy: -422.098 where: short stacking energy: -236.510 Base-Backbone interact. energy: -0.893 local terms energy: -495.118686 where: bonds (distance) C4'-P energy: -141.285 bonds (distance) P-C4' energy: -149.544 flat angles C4'-P-C4' energy: -135.512 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -695.500892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.500892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.500892 (E_RNA) where: Base-Base interactions energy: -242.384 where: short stacking energy: -206.381 Base-Backbone interact. energy: 0.643 local terms energy: -453.760445 where: bonds (distance) C4'-P energy: -154.037 bonds (distance) P-C4' energy: -147.228 flat angles C4'-P-C4' energy: -102.408 flat angles P-C4'-P energy: -75.184 tors. eta vs tors. theta energy: 25.096 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: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3053.066789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.066789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.066789 (E_RNA) where: Base-Base interactions energy: -2058.640 where: short stacking energy: -924.999 Base-Backbone interact. energy: 0.288 local terms energy: -994.714528 where: bonds (distance) C4'-P energy: -175.217 bonds (distance) P-C4' energy: -174.855 flat angles C4'-P-C4' energy: -213.883 flat angles P-C4'-P energy: -137.697 tors. eta vs tors. theta energy: -293.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2901.799005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.799005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.799005 (E_RNA) where: Base-Base interactions energy: -1936.404 where: short stacking energy: -889.043 Base-Backbone interact. energy: -3.514 local terms energy: -961.881400 where: bonds (distance) C4'-P energy: -181.840 bonds (distance) P-C4' energy: -182.610 flat angles C4'-P-C4' energy: -198.729 flat angles P-C4'-P energy: -134.190 tors. eta vs tors. theta energy: -264.512 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: 196 Temperature: 1.000000 Total energy: -2755.542199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.542199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.542199 (E_RNA) where: Base-Base interactions energy: -1819.557 where: short stacking energy: -808.256 Base-Backbone interact. energy: -2.492 local terms energy: -933.493944 where: bonds (distance) C4'-P energy: -173.334 bonds (distance) P-C4' energy: -201.700 flat angles C4'-P-C4' energy: -191.468 flat angles P-C4'-P energy: -124.709 tors. eta vs tors. theta energy: -242.283 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: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2463.674670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.674670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.674670 (E_RNA) where: Base-Base interactions energy: -1679.941 where: short stacking energy: -729.253 Base-Backbone interact. energy: -3.128 local terms energy: -780.604771 where: bonds (distance) C4'-P energy: -172.708 bonds (distance) P-C4' energy: -159.502 flat angles C4'-P-C4' energy: -183.679 flat angles P-C4'-P energy: -76.940 tors. eta vs tors. theta energy: -187.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2312.258838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.258838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.258838 (E_RNA) where: Base-Base interactions energy: -1536.469 where: short stacking energy: -683.490 Base-Backbone interact. energy: -1.225 local terms energy: -774.564930 where: bonds (distance) C4'-P energy: -149.255 bonds (distance) P-C4' energy: -154.668 flat angles C4'-P-C4' energy: -187.150 flat angles P-C4'-P energy: -100.005 tors. eta vs tors. theta energy: -183.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2117.572796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.572796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.572796 (E_RNA) where: Base-Base interactions energy: -1348.199 where: short stacking energy: -541.633 Base-Backbone interact. energy: 1.248 local terms energy: -770.622172 where: bonds (distance) C4'-P energy: -173.373 bonds (distance) P-C4' energy: -163.365 flat angles C4'-P-C4' energy: -171.126 flat angles P-C4'-P energy: -110.836 tors. eta vs tors. theta energy: -151.922 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: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1601.698272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.698272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.698272 (E_RNA) where: Base-Base interactions energy: -971.397 where: short stacking energy: -441.877 Base-Backbone interact. energy: -3.390 local terms energy: -626.910936 where: bonds (distance) C4'-P energy: -151.582 bonds (distance) P-C4' energy: -173.520 flat angles C4'-P-C4' energy: -150.114 flat angles P-C4'-P energy: -82.329 tors. eta vs tors. theta energy: -69.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1334.546420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.546420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.546420 (E_RNA) where: Base-Base interactions energy: -777.683 where: short stacking energy: -368.150 Base-Backbone interact. energy: -2.010 local terms energy: -554.853658 where: bonds (distance) C4'-P energy: -122.904 bonds (distance) P-C4' energy: -168.763 flat angles C4'-P-C4' energy: -161.563 flat angles P-C4'-P energy: -63.760 tors. eta vs tors. theta energy: -37.864 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: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -967.745536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.745536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.745536 (E_RNA) where: Base-Base interactions energy: -488.542 where: short stacking energy: -281.989 Base-Backbone interact. energy: 3.557 local terms energy: -482.760153 where: bonds (distance) C4'-P energy: -145.560 bonds (distance) P-C4' energy: -143.043 flat angles C4'-P-C4' energy: -114.019 flat angles P-C4'-P energy: -81.165 tors. eta vs tors. theta energy: 1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -692.011221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.011221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.011221 (E_RNA) where: Base-Base interactions energy: -270.430 where: short stacking energy: -214.954 Base-Backbone interact. energy: 4.586 local terms energy: -426.167751 where: bonds (distance) C4'-P energy: -120.734 bonds (distance) P-C4' energy: -157.187 flat angles C4'-P-C4' energy: -121.416 flat angles P-C4'-P energy: -79.493 tors. eta vs tors. theta energy: 52.662 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: 197 Temperature: 0.900000 Total energy: -2987.761751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.761751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.761751 (E_RNA) where: Base-Base interactions energy: -2009.168 where: short stacking energy: -911.796 Base-Backbone interact. energy: 0.679 local terms energy: -979.273073 where: bonds (distance) C4'-P energy: -172.929 bonds (distance) P-C4' energy: -192.673 flat angles C4'-P-C4' energy: -206.727 flat angles P-C4'-P energy: -138.534 tors. eta vs tors. theta energy: -268.409 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: 2, replica: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2884.728538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.728538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.728538 (E_RNA) where: Base-Base interactions energy: -1951.534 where: short stacking energy: -883.529 Base-Backbone interact. energy: -3.514 local terms energy: -929.680555 where: bonds (distance) C4'-P energy: -164.957 bonds (distance) P-C4' energy: -175.453 flat angles C4'-P-C4' energy: -189.625 flat angles P-C4'-P energy: -129.688 tors. eta vs tors. theta energy: -269.957 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: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2771.075264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.075264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.075264 (E_RNA) where: Base-Base interactions energy: -1850.067 where: short stacking energy: -833.787 Base-Backbone interact. energy: 7.479 local terms energy: -928.487796 where: bonds (distance) C4'-P energy: -175.924 bonds (distance) P-C4' energy: -162.155 flat angles C4'-P-C4' energy: -204.293 flat angles P-C4'-P energy: -143.167 tors. eta vs tors. theta energy: -242.949 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: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2446.162755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.162755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.162755 (E_RNA) where: Base-Base interactions energy: -1602.432 where: short stacking energy: -761.339 Base-Backbone interact. energy: -0.541 local terms energy: -843.190383 where: bonds (distance) C4'-P energy: -169.684 bonds (distance) P-C4' energy: -160.926 flat angles C4'-P-C4' energy: -200.093 flat angles P-C4'-P energy: -101.243 tors. eta vs tors. theta energy: -211.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2324.934975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.934975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.934975 (E_RNA) where: Base-Base interactions energy: -1547.418 where: short stacking energy: -668.425 Base-Backbone interact. energy: -5.372 local terms energy: -772.145198 where: bonds (distance) C4'-P energy: -161.080 bonds (distance) P-C4' energy: -165.339 flat angles C4'-P-C4' energy: -169.421 flat angles P-C4'-P energy: -112.206 tors. eta vs tors. theta energy: -164.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2164.372693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.372693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.372693 (E_RNA) where: Base-Base interactions energy: -1412.556 where: short stacking energy: -627.341 Base-Backbone interact. energy: -2.625 local terms energy: -749.191472 where: bonds (distance) C4'-P energy: -158.363 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -179.984 flat angles P-C4'-P energy: -110.096 tors. eta vs tors. theta energy: -157.953 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: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1719.341085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.341085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.341085 (E_RNA) where: Base-Base interactions energy: -1111.111 where: short stacking energy: -510.188 Base-Backbone interact. energy: 0.117 local terms energy: -608.347812 where: bonds (distance) C4'-P energy: -144.418 bonds (distance) P-C4' energy: -149.843 flat angles C4'-P-C4' energy: -152.607 flat angles P-C4'-P energy: -84.907 tors. eta vs tors. theta energy: -76.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1290.622864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.622864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.622864 (E_RNA) where: Base-Base interactions energy: -717.371 where: short stacking energy: -346.344 Base-Backbone interact. energy: 7.328 local terms energy: -580.579570 where: bonds (distance) C4'-P energy: -151.845 bonds (distance) P-C4' energy: -157.889 flat angles C4'-P-C4' energy: -152.511 flat angles P-C4'-P energy: -85.485 tors. eta vs tors. theta energy: -32.849 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: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -935.323699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.323699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.323699 (E_RNA) where: Base-Base interactions energy: -426.859 where: short stacking energy: -231.815 Base-Backbone interact. energy: -0.353 local terms energy: -508.111768 where: bonds (distance) C4'-P energy: -148.327 bonds (distance) P-C4' energy: -151.912 flat angles C4'-P-C4' energy: -135.430 flat angles P-C4'-P energy: -94.467 tors. eta vs tors. theta energy: 22.024 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: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -680.336677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.336677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.336677 (E_RNA) where: Base-Base interactions energy: -247.365 where: short stacking energy: -174.925 Base-Backbone interact. energy: 1.799 local terms energy: -434.770550 where: bonds (distance) C4'-P energy: -148.144 bonds (distance) P-C4' energy: -153.138 flat angles C4'-P-C4' energy: -116.703 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: 39.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3045.603218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.603218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.603218 (E_RNA) where: Base-Base interactions energy: -2055.982 where: short stacking energy: -915.975 Base-Backbone interact. energy: 0.485 local terms energy: -990.106116 where: bonds (distance) C4'-P energy: -181.389 bonds (distance) P-C4' energy: -188.256 flat angles C4'-P-C4' energy: -214.185 flat angles P-C4'-P energy: -129.331 tors. eta vs tors. theta energy: -276.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2928.758108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.758108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.758108 (E_RNA) where: Base-Base interactions energy: -1943.511 where: short stacking energy: -894.762 Base-Backbone interact. energy: -4.531 local terms energy: -980.716153 where: bonds (distance) C4'-P energy: -165.690 bonds (distance) P-C4' energy: -179.052 flat angles C4'-P-C4' energy: -211.443 flat angles P-C4'-P energy: -148.122 tors. eta vs tors. theta energy: -276.408 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: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2813.173224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.173224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.173224 (E_RNA) where: Base-Base interactions energy: -1919.329 where: short stacking energy: -814.519 Base-Backbone interact. energy: -3.592 local terms energy: -890.251361 where: bonds (distance) C4'-P energy: -155.282 bonds (distance) P-C4' energy: -176.814 flat angles C4'-P-C4' energy: -191.902 flat angles P-C4'-P energy: -122.624 tors. eta vs tors. theta energy: -243.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2446.179222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.179222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.179222 (E_RNA) where: Base-Base interactions energy: -1615.362 where: short stacking energy: -694.602 Base-Backbone interact. energy: 2.731 local terms energy: -833.548179 where: bonds (distance) C4'-P energy: -170.698 bonds (distance) P-C4' energy: -157.473 flat angles C4'-P-C4' energy: -195.871 flat angles P-C4'-P energy: -114.650 tors. eta vs tors. theta energy: -194.856 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: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2357.815088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.815088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.815088 (E_RNA) where: Base-Base interactions energy: -1576.718 where: short stacking energy: -635.820 Base-Backbone interact. energy: 0.070 local terms energy: -781.167472 where: bonds (distance) C4'-P energy: -155.699 bonds (distance) P-C4' energy: -161.296 flat angles C4'-P-C4' energy: -184.795 flat angles P-C4'-P energy: -120.532 tors. eta vs tors. theta energy: -158.845 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: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2117.498654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.498654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.498654 (E_RNA) where: Base-Base interactions energy: -1366.015 where: short stacking energy: -581.759 Base-Backbone interact. energy: -2.958 local terms energy: -748.525772 where: bonds (distance) C4'-P energy: -169.575 bonds (distance) P-C4' energy: -159.557 flat angles C4'-P-C4' energy: -170.677 flat angles P-C4'-P energy: -109.852 tors. eta vs tors. theta energy: -138.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1727.244726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.244726 (E_RNA) where: Base-Base interactions energy: -1079.473 where: short stacking energy: -483.478 Base-Backbone interact. energy: 2.860 local terms energy: -650.631642 where: bonds (distance) C4'-P energy: -158.382 bonds (distance) P-C4' energy: -138.935 flat angles C4'-P-C4' energy: -146.050 flat angles P-C4'-P energy: -102.695 tors. eta vs tors. theta energy: -104.570 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: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1254.391602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.391602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.391602 (E_RNA) where: Base-Base interactions energy: -693.697 where: short stacking energy: -368.480 Base-Backbone interact. energy: 2.570 local terms energy: -563.264873 where: bonds (distance) C4'-P energy: -129.436 bonds (distance) P-C4' energy: -156.010 flat angles C4'-P-C4' energy: -120.363 flat angles P-C4'-P energy: -94.473 tors. eta vs tors. theta energy: -62.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -973.712080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.712080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.712080 (E_RNA) where: Base-Base interactions energy: -444.962 where: short stacking energy: -251.885 Base-Backbone interact. energy: 2.835 local terms energy: -531.585124 where: bonds (distance) C4'-P energy: -160.220 bonds (distance) P-C4' energy: -159.094 flat angles C4'-P-C4' energy: -123.786 flat angles P-C4'-P energy: -73.135 tors. eta vs tors. theta energy: -15.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -668.736118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.736118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.736118 (E_RNA) where: Base-Base interactions energy: -251.180 where: short stacking energy: -220.134 Base-Backbone interact. energy: 4.873 local terms energy: -422.429400 where: bonds (distance) C4'-P energy: -140.165 bonds (distance) P-C4' energy: -145.433 flat angles C4'-P-C4' energy: -113.470 flat angles P-C4'-P energy: -64.243 tors. eta vs tors. theta energy: 40.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3026.390387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.390387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.390387 (E_RNA) where: Base-Base interactions energy: -2056.546 where: short stacking energy: -898.857 Base-Backbone interact. energy: -3.436 local terms energy: -966.408449 where: bonds (distance) C4'-P energy: -166.929 bonds (distance) P-C4' energy: -180.152 flat angles C4'-P-C4' energy: -216.660 flat angles P-C4'-P energy: -138.173 tors. eta vs tors. theta energy: -264.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2909.869596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.869596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.869596 (E_RNA) where: Base-Base interactions energy: -1950.723 where: short stacking energy: -893.992 Base-Backbone interact. energy: -3.565 local terms energy: -955.581531 where: bonds (distance) C4'-P energy: -158.309 bonds (distance) P-C4' energy: -180.705 flat angles C4'-P-C4' energy: -226.168 flat angles P-C4'-P energy: -130.659 tors. eta vs tors. theta energy: -259.741 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: 199 Temperature: 1.000000 Total energy: -2813.105247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.105247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.105247 (E_RNA) where: Base-Base interactions energy: -1905.972 where: short stacking energy: -819.220 Base-Backbone interact. energy: -1.825 local terms energy: -905.308374 where: bonds (distance) C4'-P energy: -167.301 bonds (distance) P-C4' energy: -168.275 flat angles C4'-P-C4' energy: -206.093 flat angles P-C4'-P energy: -125.216 tors. eta vs tors. theta energy: -238.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2533.225875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.225875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.225875 (E_RNA) where: Base-Base interactions energy: -1657.817 where: short stacking energy: -751.259 Base-Backbone interact. energy: -5.410 local terms energy: -869.998721 where: bonds (distance) C4'-P energy: -173.640 bonds (distance) P-C4' energy: -166.612 flat angles C4'-P-C4' energy: -195.962 flat angles P-C4'-P energy: -122.261 tors. eta vs tors. theta energy: -211.524 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: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2370.596715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.596715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.596715 (E_RNA) where: Base-Base interactions energy: -1587.667 where: short stacking energy: -682.100 Base-Backbone interact. energy: 4.967 local terms energy: -787.897280 where: bonds (distance) C4'-P energy: -156.185 bonds (distance) P-C4' energy: -146.996 flat angles C4'-P-C4' energy: -182.855 flat angles P-C4'-P energy: -120.794 tors. eta vs tors. theta energy: -181.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2149.777617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.777617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.777617 (E_RNA) where: Base-Base interactions energy: -1386.655 where: short stacking energy: -638.874 Base-Backbone interact. energy: -5.963 local terms energy: -757.159058 where: bonds (distance) C4'-P energy: -148.997 bonds (distance) P-C4' energy: -165.888 flat angles C4'-P-C4' energy: -166.024 flat angles P-C4'-P energy: -106.628 tors. eta vs tors. theta energy: -169.621 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: 199 Temperature: 1.200000 Total energy: -1713.035758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.035758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.035758 (E_RNA) where: Base-Base interactions energy: -1078.859 where: short stacking energy: -478.406 Base-Backbone interact. energy: -0.749 local terms energy: -633.427915 where: bonds (distance) C4'-P energy: -142.018 bonds (distance) P-C4' energy: -156.625 flat angles C4'-P-C4' energy: -145.939 flat angles P-C4'-P energy: -94.850 tors. eta vs tors. theta energy: -93.996 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: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1276.823970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.823970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.823970 (E_RNA) where: Base-Base interactions energy: -707.058 where: short stacking energy: -340.106 Base-Backbone interact. energy: 1.877 local terms energy: -571.643080 where: bonds (distance) C4'-P energy: -149.852 bonds (distance) P-C4' energy: -150.989 flat angles C4'-P-C4' energy: -159.762 flat angles P-C4'-P energy: -85.562 tors. eta vs tors. theta energy: -25.478 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: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -973.925196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.925196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.925196 (E_RNA) where: Base-Base interactions energy: -457.437 where: short stacking energy: -288.910 Base-Backbone interact. energy: 4.412 local terms energy: -520.899783 where: bonds (distance) C4'-P energy: -131.300 bonds (distance) P-C4' energy: -154.675 flat angles C4'-P-C4' energy: -156.933 flat angles P-C4'-P energy: -89.534 tors. eta vs tors. theta energy: 11.542 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: 199 Temperature: 1.350000 Total energy: -682.391518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.391518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.391518 (E_RNA) where: Base-Base interactions energy: -205.991 where: short stacking energy: -195.928 Base-Backbone interact. energy: 3.289 local terms energy: -479.689568 where: bonds (distance) C4'-P energy: -146.200 bonds (distance) P-C4' energy: -175.196 flat angles C4'-P-C4' energy: -121.638 flat angles P-C4'-P energy: -60.102 tors. eta vs tors. theta energy: 23.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3050.069872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.069872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.069872 (E_RNA) where: Base-Base interactions energy: -2060.610 where: short stacking energy: -921.777 Base-Backbone interact. energy: -2.615 local terms energy: -986.844193 where: bonds (distance) C4'-P energy: -192.164 bonds (distance) P-C4' energy: -170.947 flat angles C4'-P-C4' energy: -206.359 flat angles P-C4'-P energy: -137.040 tors. eta vs tors. theta energy: -280.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2893.676600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.676600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.676600 (E_RNA) where: Base-Base interactions energy: -1932.050 where: short stacking energy: -878.019 Base-Backbone interact. energy: 0.793 local terms energy: -962.419376 where: bonds (distance) C4'-P energy: -181.679 bonds (distance) P-C4' energy: -193.681 flat angles C4'-P-C4' energy: -196.819 flat angles P-C4'-P energy: -126.365 tors. eta vs tors. theta energy: -263.876 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: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2816.026356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.026356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.026356 (E_RNA) where: Base-Base interactions energy: -1917.087 where: short stacking energy: -834.116 Base-Backbone interact. energy: -2.606 local terms energy: -896.333508 where: bonds (distance) C4'-P energy: -162.120 bonds (distance) P-C4' energy: -176.888 flat angles C4'-P-C4' energy: -191.515 flat angles P-C4'-P energy: -134.328 tors. eta vs tors. theta energy: -231.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2540.632213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.632213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.632213 (E_RNA) where: Base-Base interactions energy: -1685.281 where: short stacking energy: -751.295 Base-Backbone interact. energy: -1.648 local terms energy: -853.703758 where: bonds (distance) C4'-P energy: -171.443 bonds (distance) P-C4' energy: -157.698 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -119.973 tors. eta vs tors. theta energy: -221.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2360.260262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.260262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.260262 (E_RNA) where: Base-Base interactions energy: -1538.808 where: short stacking energy: -651.463 Base-Backbone interact. energy: -3.008 local terms energy: -818.444238 where: bonds (distance) C4'-P energy: -162.375 bonds (distance) P-C4' energy: -174.650 flat angles C4'-P-C4' energy: -192.232 flat angles P-C4'-P energy: -112.185 tors. eta vs tors. theta energy: -177.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2217.980439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.980439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.980439 (E_RNA) where: Base-Base interactions energy: -1454.445 where: short stacking energy: -663.275 Base-Backbone interact. energy: -2.683 local terms energy: -760.852388 where: bonds (distance) C4'-P energy: -132.940 bonds (distance) P-C4' energy: -172.799 flat angles C4'-P-C4' energy: -164.558 flat angles P-C4'-P energy: -105.520 tors. eta vs tors. theta energy: -185.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1703.468994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.468994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.468994 (E_RNA) where: Base-Base interactions energy: -1064.334 where: short stacking energy: -503.011 Base-Backbone interact. energy: -1.235 local terms energy: -637.899845 where: bonds (distance) C4'-P energy: -149.611 bonds (distance) P-C4' energy: -120.818 flat angles C4'-P-C4' energy: -153.313 flat angles P-C4'-P energy: -106.146 tors. eta vs tors. theta energy: -108.011 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: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1251.485140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.485140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.485140 (E_RNA) where: Base-Base interactions energy: -703.200 where: short stacking energy: -319.935 Base-Backbone interact. energy: -0.062 local terms energy: -548.223023 where: bonds (distance) C4'-P energy: -136.738 bonds (distance) P-C4' energy: -158.702 flat angles C4'-P-C4' energy: -147.319 flat angles P-C4'-P energy: -84.777 tors. eta vs tors. theta energy: -20.686 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: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -971.418966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.418966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.418966 (E_RNA) where: Base-Base interactions energy: -490.966 where: short stacking energy: -280.589 Base-Backbone interact. energy: 3.876 local terms energy: -484.328220 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -139.970 flat angles C4'-P-C4' energy: -117.533 flat angles P-C4'-P energy: -73.920 tors. eta vs tors. theta energy: -14.838 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: 200 Temperature: 1.350000 Total energy: -707.095403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.095403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.095403 (E_RNA) where: Base-Base interactions energy: -246.406 where: short stacking energy: -180.218 Base-Backbone interact. energy: 4.327 local terms energy: -465.016064 where: bonds (distance) C4'-P energy: -135.108 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -117.144 flat angles P-C4'-P energy: -100.681 tors. eta vs tors. theta energy: 26.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3039.935234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.935234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.935234 (E_RNA) where: Base-Base interactions energy: -2060.735 where: short stacking energy: -898.554 Base-Backbone interact. energy: -2.690 local terms energy: -976.510030 where: bonds (distance) C4'-P energy: -163.434 bonds (distance) P-C4' energy: -198.235 flat angles C4'-P-C4' energy: -210.943 flat angles P-C4'-P energy: -144.040 tors. eta vs tors. theta energy: -259.858 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: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2893.331722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.331722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.331722 (E_RNA) where: Base-Base interactions energy: -1958.640 where: short stacking energy: -872.417 Base-Backbone interact. energy: -3.610 local terms energy: -931.081745 where: bonds (distance) C4'-P energy: -159.461 bonds (distance) P-C4' energy: -174.980 flat angles C4'-P-C4' energy: -208.459 flat angles P-C4'-P energy: -134.184 tors. eta vs tors. theta energy: -253.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2813.555408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.555408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.555408 (E_RNA) where: Base-Base interactions energy: -1920.392 where: short stacking energy: -801.197 Base-Backbone interact. energy: -8.035 local terms energy: -885.128252 where: bonds (distance) C4'-P energy: -165.441 bonds (distance) P-C4' energy: -158.410 flat angles C4'-P-C4' energy: -200.545 flat angles P-C4'-P energy: -133.558 tors. eta vs tors. theta energy: -227.174 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: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2541.374077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.374077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.374077 (E_RNA) where: Base-Base interactions energy: -1709.102 where: short stacking energy: -731.810 Base-Backbone interact. energy: -2.629 local terms energy: -829.643503 where: bonds (distance) C4'-P energy: -165.888 bonds (distance) P-C4' energy: -156.610 flat angles C4'-P-C4' energy: -188.332 flat angles P-C4'-P energy: -109.772 tors. eta vs tors. theta energy: -209.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2382.672483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.672483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.672483 (E_RNA) where: Base-Base interactions energy: -1569.581 where: short stacking energy: -685.114 Base-Backbone interact. energy: 1.362 local terms energy: -814.453485 where: bonds (distance) C4'-P energy: -167.181 bonds (distance) P-C4' energy: -170.011 flat angles C4'-P-C4' energy: -180.689 flat angles P-C4'-P energy: -111.865 tors. eta vs tors. theta energy: -184.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2063.174741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.174741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.174741 (E_RNA) where: Base-Base interactions energy: -1340.173 where: short stacking energy: -596.763 Base-Backbone interact. energy: -1.090 local terms energy: -721.911826 where: bonds (distance) C4'-P energy: -161.017 bonds (distance) P-C4' energy: -154.204 flat angles C4'-P-C4' energy: -166.044 flat angles P-C4'-P energy: -98.253 tors. eta vs tors. theta energy: -142.394 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: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1770.471992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.471992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.471992 (E_RNA) where: Base-Base interactions energy: -1134.816 where: short stacking energy: -521.295 Base-Backbone interact. energy: -2.647 local terms energy: -633.009529 where: bonds (distance) C4'-P energy: -119.681 bonds (distance) P-C4' energy: -165.341 flat angles C4'-P-C4' energy: -156.284 flat angles P-C4'-P energy: -78.725 tors. eta vs tors. theta energy: -112.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1266.101957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.101957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.101957 (E_RNA) where: Base-Base interactions energy: -697.914 where: short stacking energy: -357.545 Base-Backbone interact. energy: -3.120 local terms energy: -565.068415 where: bonds (distance) C4'-P energy: -163.224 bonds (distance) P-C4' energy: -164.228 flat angles C4'-P-C4' energy: -147.343 flat angles P-C4'-P energy: -75.369 tors. eta vs tors. theta energy: -14.905 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: 201 Temperature: 1.300000 Total energy: -960.733171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.733171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.733171 (E_RNA) where: Base-Base interactions energy: -489.499 where: short stacking energy: -284.827 Base-Backbone interact. energy: 1.670 local terms energy: -472.904256 where: bonds (distance) C4'-P energy: -123.619 bonds (distance) P-C4' energy: -156.009 flat angles C4'-P-C4' energy: -122.949 flat angles P-C4'-P energy: -66.746 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -678.168361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.168361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.168361 (E_RNA) where: Base-Base interactions energy: -226.287 where: short stacking energy: -177.166 Base-Backbone interact. energy: 0.932 local terms energy: -452.813641 where: bonds (distance) C4'-P energy: -150.063 bonds (distance) P-C4' energy: -136.685 flat angles C4'-P-C4' energy: -140.837 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: 32.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3054.619483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.619483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.619483 (E_RNA) where: Base-Base interactions energy: -2080.378 where: short stacking energy: -918.696 Base-Backbone interact. energy: -5.162 local terms energy: -969.078974 where: bonds (distance) C4'-P energy: -177.632 bonds (distance) P-C4' energy: -175.898 flat angles C4'-P-C4' energy: -209.996 flat angles P-C4'-P energy: -132.743 tors. eta vs tors. theta energy: -272.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2874.984400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.984400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.984400 (E_RNA) where: Base-Base interactions energy: -1905.868 where: short stacking energy: -886.993 Base-Backbone interact. energy: 0.430 local terms energy: -969.547121 where: bonds (distance) C4'-P energy: -192.914 bonds (distance) P-C4' energy: -180.656 flat angles C4'-P-C4' energy: -191.951 flat angles P-C4'-P energy: -140.844 tors. eta vs tors. theta energy: -263.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2768.716811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.716811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.716811 (E_RNA) where: Base-Base interactions energy: -1876.026 where: short stacking energy: -800.394 Base-Backbone interact. energy: -2.301 local terms energy: -890.390699 where: bonds (distance) C4'-P energy: -179.950 bonds (distance) P-C4' energy: -172.319 flat angles C4'-P-C4' energy: -185.307 flat angles P-C4'-P energy: -114.230 tors. eta vs tors. theta energy: -238.584 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: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2518.342456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.342456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.342456 (E_RNA) where: Base-Base interactions energy: -1732.565 where: short stacking energy: -770.113 Base-Backbone interact. energy: 8.086 local terms energy: -793.863742 where: bonds (distance) C4'-P energy: -141.201 bonds (distance) P-C4' energy: -156.788 flat angles C4'-P-C4' energy: -178.584 flat angles P-C4'-P energy: -118.663 tors. eta vs tors. theta energy: -198.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2321.270621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.270621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.270621 (E_RNA) where: Base-Base interactions energy: -1564.455 where: short stacking energy: -654.977 Base-Backbone interact. energy: -0.965 local terms energy: -755.850165 where: bonds (distance) C4'-P energy: -162.323 bonds (distance) P-C4' energy: -170.407 flat angles C4'-P-C4' energy: -156.052 flat angles P-C4'-P energy: -127.985 tors. eta vs tors. theta energy: -139.083 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: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2084.845863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.845863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.845863 (E_RNA) where: Base-Base interactions energy: -1327.141 where: short stacking energy: -561.306 Base-Backbone interact. energy: -0.172 local terms energy: -757.533017 where: bonds (distance) C4'-P energy: -167.969 bonds (distance) P-C4' energy: -170.133 flat angles C4'-P-C4' energy: -160.501 flat angles P-C4'-P energy: -125.465 tors. eta vs tors. theta energy: -133.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1736.215603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.215603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.215603 (E_RNA) where: Base-Base interactions energy: -1097.652 where: short stacking energy: -509.068 Base-Backbone interact. energy: 1.232 local terms energy: -639.796564 where: bonds (distance) C4'-P energy: -136.169 bonds (distance) P-C4' energy: -153.875 flat angles C4'-P-C4' energy: -153.941 flat angles P-C4'-P energy: -78.583 tors. eta vs tors. theta energy: -117.229 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: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1292.683686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.683686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.683686 (E_RNA) where: Base-Base interactions energy: -703.266 where: short stacking energy: -409.315 Base-Backbone interact. energy: -4.307 local terms energy: -585.110895 where: bonds (distance) C4'-P energy: -140.659 bonds (distance) P-C4' energy: -147.619 flat angles C4'-P-C4' energy: -156.083 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -65.187 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: 202 Temperature: 1.300000 Total energy: -950.817129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.817129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.817129 (E_RNA) where: Base-Base interactions energy: -429.518 where: short stacking energy: -269.919 Base-Backbone interact. energy: -0.658 local terms energy: -520.641444 where: bonds (distance) C4'-P energy: -132.298 bonds (distance) P-C4' energy: -170.734 flat angles C4'-P-C4' energy: -147.336 flat angles P-C4'-P energy: -88.217 tors. eta vs tors. theta energy: 17.944 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: 202 Temperature: 1.350000 Total energy: -681.612821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.612821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.612821 (E_RNA) where: Base-Base interactions energy: -272.219 where: short stacking energy: -176.325 Base-Backbone interact. energy: 9.051 local terms energy: -418.445388 where: bonds (distance) C4'-P energy: -154.398 bonds (distance) P-C4' energy: -125.261 flat angles C4'-P-C4' energy: -111.303 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: 47.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3023.934833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.934833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.934833 (E_RNA) where: Base-Base interactions energy: -2061.714 where: short stacking energy: -912.622 Base-Backbone interact. energy: -2.799 local terms energy: -959.421866 where: bonds (distance) C4'-P energy: -188.410 bonds (distance) P-C4' energy: -181.208 flat angles C4'-P-C4' energy: -192.872 flat angles P-C4'-P energy: -131.207 tors. eta vs tors. theta energy: -265.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2883.310694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.310694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.310694 (E_RNA) where: Base-Base interactions energy: -1918.727 where: short stacking energy: -870.884 Base-Backbone interact. energy: 0.077 local terms energy: -964.660612 where: bonds (distance) C4'-P energy: -174.188 bonds (distance) P-C4' energy: -181.310 flat angles C4'-P-C4' energy: -206.990 flat angles P-C4'-P energy: -142.496 tors. eta vs tors. theta energy: -259.677 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: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2749.363583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.363583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.363583 (E_RNA) where: Base-Base interactions energy: -1847.417 where: short stacking energy: -814.173 Base-Backbone interact. energy: -1.398 local terms energy: -900.548890 where: bonds (distance) C4'-P energy: -155.094 bonds (distance) P-C4' energy: -179.811 flat angles C4'-P-C4' energy: -193.751 flat angles P-C4'-P energy: -120.454 tors. eta vs tors. theta energy: -251.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2513.625989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.625989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.625989 (E_RNA) where: Base-Base interactions energy: -1679.792 where: short stacking energy: -734.484 Base-Backbone interact. energy: 3.789 local terms energy: -837.622467 where: bonds (distance) C4'-P energy: -160.752 bonds (distance) P-C4' energy: -158.944 flat angles C4'-P-C4' energy: -180.100 flat angles P-C4'-P energy: -130.235 tors. eta vs tors. theta energy: -207.592 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: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2341.887090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.887090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.887090 (E_RNA) where: Base-Base interactions energy: -1600.492 where: short stacking energy: -652.308 Base-Backbone interact. energy: 4.454 local terms energy: -745.849114 where: bonds (distance) C4'-P energy: -142.037 bonds (distance) P-C4' energy: -172.825 flat angles C4'-P-C4' energy: -186.752 flat angles P-C4'-P energy: -92.990 tors. eta vs tors. theta energy: -151.245 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: 203 Temperature: 1.150000 Total energy: -2026.289637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.289637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.289637 (E_RNA) where: Base-Base interactions energy: -1287.510 where: short stacking energy: -601.232 Base-Backbone interact. energy: -2.322 local terms energy: -736.457344 where: bonds (distance) C4'-P energy: -170.834 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -171.243 flat angles P-C4'-P energy: -101.080 tors. eta vs tors. theta energy: -145.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1848.810289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.810289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.810289 (E_RNA) where: Base-Base interactions energy: -1153.549 where: short stacking energy: -512.390 Base-Backbone interact. energy: 0.189 local terms energy: -695.449783 where: bonds (distance) C4'-P energy: -143.061 bonds (distance) P-C4' energy: -170.433 flat angles C4'-P-C4' energy: -172.403 flat angles P-C4'-P energy: -95.826 tors. eta vs tors. theta energy: -113.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1303.227933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.227933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.227933 (E_RNA) where: Base-Base interactions energy: -741.509 where: short stacking energy: -365.525 Base-Backbone interact. energy: -1.578 local terms energy: -560.140824 where: bonds (distance) C4'-P energy: -143.130 bonds (distance) P-C4' energy: -158.139 flat angles C4'-P-C4' energy: -138.037 flat angles P-C4'-P energy: -88.844 tors. eta vs tors. theta energy: -31.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -878.131327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.131327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.131327 (E_RNA) where: Base-Base interactions energy: -366.704 where: short stacking energy: -229.477 Base-Backbone interact. energy: 1.114 local terms energy: -512.540455 where: bonds (distance) C4'-P energy: -168.619 bonds (distance) P-C4' energy: -149.513 flat angles C4'-P-C4' energy: -126.279 flat angles P-C4'-P energy: -83.166 tors. eta vs tors. theta energy: 15.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -692.857014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.857014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.857014 (E_RNA) where: Base-Base interactions energy: -255.072 where: short stacking energy: -198.989 Base-Backbone interact. energy: -1.029 local terms energy: -436.755232 where: bonds (distance) C4'-P energy: -167.586 bonds (distance) P-C4' energy: -159.829 flat angles C4'-P-C4' energy: -106.773 flat angles P-C4'-P energy: -55.788 tors. eta vs tors. theta energy: 53.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3033.190147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.190147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.190147 (E_RNA) where: Base-Base interactions energy: -2067.084 where: short stacking energy: -919.448 Base-Backbone interact. energy: -1.462 local terms energy: -964.645067 where: bonds (distance) C4'-P energy: -188.151 bonds (distance) P-C4' energy: -165.607 flat angles C4'-P-C4' energy: -203.457 flat angles P-C4'-P energy: -130.433 tors. eta vs tors. theta energy: -276.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2894.935834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.935834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.935834 (E_RNA) where: Base-Base interactions energy: -1950.752 where: short stacking energy: -904.569 Base-Backbone interact. energy: -2.683 local terms energy: -941.501200 where: bonds (distance) C4'-P energy: -179.212 bonds (distance) P-C4' energy: -175.758 flat angles C4'-P-C4' energy: -200.049 flat angles P-C4'-P energy: -123.250 tors. eta vs tors. theta energy: -263.233 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: 204 Temperature: 1.000000 Total energy: -2763.140714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.140714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.140714 (E_RNA) where: Base-Base interactions energy: -1821.748 where: short stacking energy: -844.718 Base-Backbone interact. energy: -4.781 local terms energy: -936.611607 where: bonds (distance) C4'-P energy: -162.754 bonds (distance) P-C4' energy: -183.865 flat angles C4'-P-C4' energy: -206.762 flat angles P-C4'-P energy: -134.874 tors. eta vs tors. theta energy: -248.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2468.126032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.126032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.126032 (E_RNA) where: Base-Base interactions energy: -1628.479 where: short stacking energy: -701.605 Base-Backbone interact. energy: -1.236 local terms energy: -838.410978 where: bonds (distance) C4'-P energy: -166.046 bonds (distance) P-C4' energy: -172.454 flat angles C4'-P-C4' energy: -202.584 flat angles P-C4'-P energy: -104.101 tors. eta vs tors. theta energy: -193.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2395.212989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.212989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.212989 (E_RNA) where: Base-Base interactions energy: -1615.636 where: short stacking energy: -679.193 Base-Backbone interact. energy: -1.722 local terms energy: -777.855033 where: bonds (distance) C4'-P energy: -148.017 bonds (distance) P-C4' energy: -170.597 flat angles C4'-P-C4' energy: -164.197 flat angles P-C4'-P energy: -107.346 tors. eta vs tors. theta energy: -187.698 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: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2139.421367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.421367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.421367 (E_RNA) where: Base-Base interactions energy: -1409.722 where: short stacking energy: -631.475 Base-Backbone interact. energy: -0.910 local terms energy: -728.789987 where: bonds (distance) C4'-P energy: -146.072 bonds (distance) P-C4' energy: -144.726 flat angles C4'-P-C4' energy: -175.230 flat angles P-C4'-P energy: -106.231 tors. eta vs tors. theta energy: -156.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1844.014842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.014842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.014842 (E_RNA) where: Base-Base interactions energy: -1175.460 where: short stacking energy: -529.650 Base-Backbone interact. energy: -2.454 local terms energy: -666.100888 where: bonds (distance) C4'-P energy: -126.173 bonds (distance) P-C4' energy: -155.094 flat angles C4'-P-C4' energy: -163.623 flat angles P-C4'-P energy: -99.654 tors. eta vs tors. theta energy: -121.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1275.562911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.562911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.562911 (E_RNA) where: Base-Base interactions energy: -718.711 where: short stacking energy: -394.988 Base-Backbone interact. energy: -0.823 local terms energy: -556.029665 where: bonds (distance) C4'-P energy: -147.552 bonds (distance) P-C4' energy: -147.286 flat angles C4'-P-C4' energy: -139.610 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -38.166 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: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -935.924626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.924626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.924626 (E_RNA) where: Base-Base interactions energy: -440.923 where: short stacking energy: -256.883 Base-Backbone interact. energy: -0.577 local terms energy: -494.424613 where: bonds (distance) C4'-P energy: -150.162 bonds (distance) P-C4' energy: -145.763 flat angles C4'-P-C4' energy: -107.965 flat angles P-C4'-P energy: -83.179 tors. eta vs tors. theta energy: -7.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -687.789789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.789789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.789789 (E_RNA) where: Base-Base interactions energy: -257.311 where: short stacking energy: -185.560 Base-Backbone interact. energy: -0.179 local terms energy: -430.299725 where: bonds (distance) C4'-P energy: -148.885 bonds (distance) P-C4' energy: -128.068 flat angles C4'-P-C4' energy: -124.305 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: 29.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3019.345443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.345443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.345443 (E_RNA) where: Base-Base interactions energy: -2038.336 where: short stacking energy: -909.819 Base-Backbone interact. energy: 3.676 local terms energy: -984.685699 where: bonds (distance) C4'-P energy: -170.200 bonds (distance) P-C4' energy: -188.964 flat angles C4'-P-C4' energy: -206.368 flat angles P-C4'-P energy: -141.564 tors. eta vs tors. theta energy: -277.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2923.373717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.373717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.373717 (E_RNA) where: Base-Base interactions energy: -1945.735 where: short stacking energy: -895.963 Base-Backbone interact. energy: 1.749 local terms energy: -979.387302 where: bonds (distance) C4'-P energy: -174.003 bonds (distance) P-C4' energy: -168.768 flat angles C4'-P-C4' energy: -217.609 flat angles P-C4'-P energy: -149.811 tors. eta vs tors. theta energy: -269.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2767.770857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.770857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.770857 (E_RNA) where: Base-Base interactions energy: -1888.980 where: short stacking energy: -802.268 Base-Backbone interact. energy: -3.241 local terms energy: -875.549018 where: bonds (distance) C4'-P energy: -186.288 bonds (distance) P-C4' energy: -141.176 flat angles C4'-P-C4' energy: -185.730 flat angles P-C4'-P energy: -125.534 tors. eta vs tors. theta energy: -236.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2541.591742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.591742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.591742 (E_RNA) where: Base-Base interactions energy: -1708.190 where: short stacking energy: -785.419 Base-Backbone interact. energy: -2.438 local terms energy: -830.963318 where: bonds (distance) C4'-P energy: -157.367 bonds (distance) P-C4' energy: -166.455 flat angles C4'-P-C4' energy: -191.407 flat angles P-C4'-P energy: -107.571 tors. eta vs tors. theta energy: -208.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2388.979931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.979931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.979931 (E_RNA) where: Base-Base interactions energy: -1600.020 where: short stacking energy: -655.616 Base-Backbone interact. energy: -2.058 local terms energy: -786.901769 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -183.858 flat angles C4'-P-C4' energy: -161.738 flat angles P-C4'-P energy: -119.443 tors. eta vs tors. theta energy: -171.895 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: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2143.476084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.476084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.476084 (E_RNA) where: Base-Base interactions energy: -1399.596 where: short stacking energy: -608.389 Base-Backbone interact. energy: -0.783 local terms energy: -743.096223 where: bonds (distance) C4'-P energy: -135.050 bonds (distance) P-C4' energy: -170.264 flat angles C4'-P-C4' energy: -188.594 flat angles P-C4'-P energy: -102.233 tors. eta vs tors. theta energy: -146.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1862.612136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.612136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.612136 (E_RNA) where: Base-Base interactions energy: -1191.134 where: short stacking energy: -527.382 Base-Backbone interact. energy: 5.077 local terms energy: -676.554980 where: bonds (distance) C4'-P energy: -148.387 bonds (distance) P-C4' energy: -154.627 flat angles C4'-P-C4' energy: -159.201 flat angles P-C4'-P energy: -102.129 tors. eta vs tors. theta energy: -112.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1263.105861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.105861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.105861 (E_RNA) where: Base-Base interactions energy: -678.393 where: short stacking energy: -360.575 Base-Backbone interact. energy: 1.195 local terms energy: -585.907439 where: bonds (distance) C4'-P energy: -148.331 bonds (distance) P-C4' energy: -155.331 flat angles C4'-P-C4' energy: -125.798 flat angles P-C4'-P energy: -112.948 tors. eta vs tors. theta energy: -43.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1004.414746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.414746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.414746 (E_RNA) where: Base-Base interactions energy: -454.851 where: short stacking energy: -249.552 Base-Backbone interact. energy: 1.797 local terms energy: -551.361305 where: bonds (distance) C4'-P energy: -159.718 bonds (distance) P-C4' energy: -160.209 flat angles C4'-P-C4' energy: -149.797 flat angles P-C4'-P energy: -79.607 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -679.595231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.595231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.595231 (E_RNA) where: Base-Base interactions energy: -228.075 where: short stacking energy: -186.987 Base-Backbone interact. energy: -1.463 local terms energy: -450.057297 where: bonds (distance) C4'-P energy: -137.203 bonds (distance) P-C4' energy: -142.421 flat angles C4'-P-C4' energy: -128.099 flat angles P-C4'-P energy: -68.947 tors. eta vs tors. theta energy: 26.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3018.049137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.049137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.049137 (E_RNA) where: Base-Base interactions energy: -2052.262 where: short stacking energy: -908.135 Base-Backbone interact. energy: -5.168 local terms energy: -960.618915 where: bonds (distance) C4'-P energy: -170.334 bonds (distance) P-C4' energy: -183.553 flat angles C4'-P-C4' energy: -198.500 flat angles P-C4'-P energy: -140.133 tors. eta vs tors. theta energy: -268.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2926.438982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.438982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.438982 (E_RNA) where: Base-Base interactions energy: -1983.355 where: short stacking energy: -891.847 Base-Backbone interact. energy: -4.744 local terms energy: -938.339885 where: bonds (distance) C4'-P energy: -185.496 bonds (distance) P-C4' energy: -166.666 flat angles C4'-P-C4' energy: -200.725 flat angles P-C4'-P energy: -117.341 tors. eta vs tors. theta energy: -268.113 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: 206 Temperature: 1.000000 Total energy: -2783.835767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.835767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.835767 (E_RNA) where: Base-Base interactions energy: -1870.158 where: short stacking energy: -804.143 Base-Backbone interact. energy: -4.940 local terms energy: -908.737994 where: bonds (distance) C4'-P energy: -162.408 bonds (distance) P-C4' energy: -169.949 flat angles C4'-P-C4' energy: -212.668 flat angles P-C4'-P energy: -112.199 tors. eta vs tors. theta energy: -251.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2538.950909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.950909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.950909 (E_RNA) where: Base-Base interactions energy: -1716.243 where: short stacking energy: -760.800 Base-Backbone interact. energy: -3.345 local terms energy: -819.363321 where: bonds (distance) C4'-P energy: -140.026 bonds (distance) P-C4' energy: -164.148 flat angles C4'-P-C4' energy: -183.741 flat angles P-C4'-P energy: -110.435 tors. eta vs tors. theta energy: -221.014 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: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2379.211805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.211805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.211805 (E_RNA) where: Base-Base interactions energy: -1604.020 where: short stacking energy: -708.418 Base-Backbone interact. energy: 8.355 local terms energy: -783.547129 where: bonds (distance) C4'-P energy: -156.131 bonds (distance) P-C4' energy: -166.146 flat angles C4'-P-C4' energy: -163.501 flat angles P-C4'-P energy: -120.957 tors. eta vs tors. theta energy: -176.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2118.423341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.423341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.423341 (E_RNA) where: Base-Base interactions energy: -1406.192 where: short stacking energy: -601.832 Base-Backbone interact. energy: -0.412 local terms energy: -711.819749 where: bonds (distance) C4'-P energy: -160.815 bonds (distance) P-C4' energy: -150.899 flat angles C4'-P-C4' energy: -174.954 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -123.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1915.066701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.066701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.066701 (E_RNA) where: Base-Base interactions energy: -1213.345 where: short stacking energy: -546.539 Base-Backbone interact. energy: -4.208 local terms energy: -697.513647 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -149.588 flat angles C4'-P-C4' energy: -178.113 flat angles P-C4'-P energy: -103.237 tors. eta vs tors. theta energy: -130.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1293.347934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.347934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.347934 (E_RNA) where: Base-Base interactions energy: -722.462 where: short stacking energy: -349.301 Base-Backbone interact. energy: 1.527 local terms energy: -572.412648 where: bonds (distance) C4'-P energy: -132.724 bonds (distance) P-C4' energy: -156.651 flat angles C4'-P-C4' energy: -152.080 flat angles P-C4'-P energy: -94.019 tors. eta vs tors. theta energy: -36.939 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: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -960.572003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.572003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.572003 (E_RNA) where: Base-Base interactions energy: -512.606 where: short stacking energy: -261.376 Base-Backbone interact. energy: 3.084 local terms energy: -451.050070 where: bonds (distance) C4'-P energy: -144.976 bonds (distance) P-C4' energy: -144.886 flat angles C4'-P-C4' energy: -110.320 flat angles P-C4'-P energy: -67.686 tors. eta vs tors. theta energy: 16.818 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: 206 Temperature: 1.350000 Total energy: -656.933919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.933919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.933919 (E_RNA) where: Base-Base interactions energy: -241.225 where: short stacking energy: -165.781 Base-Backbone interact. energy: -0.380 local terms energy: -415.328009 where: bonds (distance) C4'-P energy: -128.634 bonds (distance) P-C4' energy: -156.797 flat angles C4'-P-C4' energy: -117.011 flat angles P-C4'-P energy: -53.573 tors. eta vs tors. theta energy: 40.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3051.325102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.325102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.325102 (E_RNA) where: Base-Base interactions energy: -2052.581 where: short stacking energy: -905.949 Base-Backbone interact. energy: -7.416 local terms energy: -991.328029 where: bonds (distance) C4'-P energy: -190.546 bonds (distance) P-C4' energy: -187.302 flat angles C4'-P-C4' energy: -195.530 flat angles P-C4'-P energy: -136.831 tors. eta vs tors. theta energy: -281.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2899.494518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.494518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.494518 (E_RNA) where: Base-Base interactions energy: -1971.586 where: short stacking energy: -879.479 Base-Backbone interact. energy: -0.819 local terms energy: -927.089364 where: bonds (distance) C4'-P energy: -168.797 bonds (distance) P-C4' energy: -170.856 flat angles C4'-P-C4' energy: -199.912 flat angles P-C4'-P energy: -127.225 tors. eta vs tors. theta energy: -260.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2762.762465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.762465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.762465 (E_RNA) where: Base-Base interactions energy: -1898.746 where: short stacking energy: -797.882 Base-Backbone interact. energy: -2.338 local terms energy: -861.678441 where: bonds (distance) C4'-P energy: -182.857 bonds (distance) P-C4' energy: -158.442 flat angles C4'-P-C4' energy: -179.704 flat angles P-C4'-P energy: -115.156 tors. eta vs tors. theta energy: -225.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2537.258155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.258155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.258155 (E_RNA) where: Base-Base interactions energy: -1680.548 where: short stacking energy: -734.381 Base-Backbone interact. energy: -0.660 local terms energy: -856.050291 where: bonds (distance) C4'-P energy: -182.041 bonds (distance) P-C4' energy: -163.265 flat angles C4'-P-C4' energy: -188.762 flat angles P-C4'-P energy: -111.825 tors. eta vs tors. theta energy: -210.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2347.215501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.215501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.215501 (E_RNA) where: Base-Base interactions energy: -1547.268 where: short stacking energy: -695.644 Base-Backbone interact. energy: -2.871 local terms energy: -797.076663 where: bonds (distance) C4'-P energy: -150.444 bonds (distance) P-C4' energy: -161.099 flat angles C4'-P-C4' energy: -178.994 flat angles P-C4'-P energy: -126.130 tors. eta vs tors. theta energy: -180.410 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: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2071.344810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.344810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.344810 (E_RNA) where: Base-Base interactions energy: -1318.207 where: short stacking energy: -567.369 Base-Backbone interact. energy: -1.311 local terms energy: -751.827123 where: bonds (distance) C4'-P energy: -135.041 bonds (distance) P-C4' energy: -162.534 flat angles C4'-P-C4' energy: -185.602 flat angles P-C4'-P energy: -121.415 tors. eta vs tors. theta energy: -147.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1872.314662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.314662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.314662 (E_RNA) where: Base-Base interactions energy: -1181.484 where: short stacking energy: -534.904 Base-Backbone interact. energy: 3.511 local terms energy: -694.341342 where: bonds (distance) C4'-P energy: -150.355 bonds (distance) P-C4' energy: -160.820 flat angles C4'-P-C4' energy: -160.610 flat angles P-C4'-P energy: -102.906 tors. eta vs tors. theta energy: -119.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1280.226381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.226381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.226381 (E_RNA) where: Base-Base interactions energy: -706.100 where: short stacking energy: -366.178 Base-Backbone interact. energy: -3.873 local terms energy: -570.253112 where: bonds (distance) C4'-P energy: -152.521 bonds (distance) P-C4' energy: -162.563 flat angles C4'-P-C4' energy: -143.751 flat angles P-C4'-P energy: -65.336 tors. eta vs tors. theta energy: -46.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -902.424260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.424260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.424260 (E_RNA) where: Base-Base interactions energy: -440.734 where: short stacking energy: -230.746 Base-Backbone interact. energy: -0.633 local terms energy: -461.057745 where: bonds (distance) C4'-P energy: -146.876 bonds (distance) P-C4' energy: -147.535 flat angles C4'-P-C4' energy: -121.090 flat angles P-C4'-P energy: -80.271 tors. eta vs tors. theta energy: 34.715 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: 207 Temperature: 1.350000 Total energy: -751.345968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.345968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.345968 (E_RNA) where: Base-Base interactions energy: -287.281 where: short stacking energy: -206.405 Base-Backbone interact. energy: 0.308 local terms energy: -464.372511 where: bonds (distance) C4'-P energy: -144.952 bonds (distance) P-C4' energy: -158.460 flat angles C4'-P-C4' energy: -134.697 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: 14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3025.026660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.026660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.026660 (E_RNA) where: Base-Base interactions energy: -2054.489 where: short stacking energy: -895.882 Base-Backbone interact. energy: -0.476 local terms energy: -970.061286 where: bonds (distance) C4'-P energy: -155.247 bonds (distance) P-C4' energy: -197.207 flat angles C4'-P-C4' energy: -204.372 flat angles P-C4'-P energy: -140.726 tors. eta vs tors. theta energy: -272.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2895.170792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.170792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.170792 (E_RNA) where: Base-Base interactions energy: -1915.870 where: short stacking energy: -872.139 Base-Backbone interact. energy: -5.110 local terms energy: -974.191226 where: bonds (distance) C4'-P energy: -172.176 bonds (distance) P-C4' energy: -195.773 flat angles C4'-P-C4' energy: -214.891 flat angles P-C4'-P energy: -126.875 tors. eta vs tors. theta energy: -264.476 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: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2785.272707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.272707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.272707 (E_RNA) where: Base-Base interactions energy: -1915.606 where: short stacking energy: -797.867 Base-Backbone interact. energy: -4.307 local terms energy: -865.359851 where: bonds (distance) C4'-P energy: -166.343 bonds (distance) P-C4' energy: -187.513 flat angles C4'-P-C4' energy: -176.697 flat angles P-C4'-P energy: -107.350 tors. eta vs tors. theta energy: -227.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2534.008664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.008664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.008664 (E_RNA) where: Base-Base interactions energy: -1665.760 where: short stacking energy: -736.593 Base-Backbone interact. energy: -3.676 local terms energy: -864.572730 where: bonds (distance) C4'-P energy: -165.986 bonds (distance) P-C4' energy: -154.871 flat angles C4'-P-C4' energy: -192.399 flat angles P-C4'-P energy: -123.396 tors. eta vs tors. theta energy: -227.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2339.212394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.212394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.212394 (E_RNA) where: Base-Base interactions energy: -1573.718 where: short stacking energy: -653.806 Base-Backbone interact. energy: 1.189 local terms energy: -766.684187 where: bonds (distance) C4'-P energy: -144.188 bonds (distance) P-C4' energy: -161.057 flat angles C4'-P-C4' energy: -188.933 flat angles P-C4'-P energy: -100.831 tors. eta vs tors. theta energy: -171.675 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: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2106.300640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.300640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.300640 (E_RNA) where: Base-Base interactions energy: -1364.998 where: short stacking energy: -583.357 Base-Backbone interact. energy: -0.564 local terms energy: -740.738687 where: bonds (distance) C4'-P energy: -146.401 bonds (distance) P-C4' energy: -167.223 flat angles C4'-P-C4' energy: -184.204 flat angles P-C4'-P energy: -106.881 tors. eta vs tors. theta energy: -136.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1882.031595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.031595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.031595 (E_RNA) where: Base-Base interactions energy: -1197.613 where: short stacking energy: -519.069 Base-Backbone interact. energy: 0.536 local terms energy: -684.954366 where: bonds (distance) C4'-P energy: -149.796 bonds (distance) P-C4' energy: -157.990 flat angles C4'-P-C4' energy: -153.103 flat angles P-C4'-P energy: -100.293 tors. eta vs tors. theta energy: -123.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1211.343161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.343161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.343161 (E_RNA) where: Base-Base interactions energy: -641.299 where: short stacking energy: -298.320 Base-Backbone interact. energy: -0.130 local terms energy: -569.914453 where: bonds (distance) C4'-P energy: -155.349 bonds (distance) P-C4' energy: -172.885 flat angles C4'-P-C4' energy: -132.556 flat angles P-C4'-P energy: -77.733 tors. eta vs tors. theta energy: -31.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -879.155513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.155513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.155513 (E_RNA) where: Base-Base interactions energy: -369.650 where: short stacking energy: -249.861 Base-Backbone interact. energy: 0.797 local terms energy: -510.302340 where: bonds (distance) C4'-P energy: -152.297 bonds (distance) P-C4' energy: -158.995 flat angles C4'-P-C4' energy: -117.408 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -691.401441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.401441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.401441 (E_RNA) where: Base-Base interactions energy: -243.709 where: short stacking energy: -184.242 Base-Backbone interact. energy: 5.242 local terms energy: -452.934592 where: bonds (distance) C4'-P energy: -122.719 bonds (distance) P-C4' energy: -183.785 flat angles C4'-P-C4' energy: -120.720 flat angles P-C4'-P energy: -61.067 tors. eta vs tors. theta energy: 35.357 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: 209 Temperature: 0.900000 Total energy: -3021.588755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.588755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.588755 (E_RNA) where: Base-Base interactions energy: -2063.974 where: short stacking energy: -902.331 Base-Backbone interact. energy: -2.205 local terms energy: -955.409876 where: bonds (distance) C4'-P energy: -167.942 bonds (distance) P-C4' energy: -172.157 flat angles C4'-P-C4' energy: -213.489 flat angles P-C4'-P energy: -135.222 tors. eta vs tors. theta energy: -266.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2871.490949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.490949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.490949 (E_RNA) where: Base-Base interactions energy: -1939.029 where: short stacking energy: -864.228 Base-Backbone interact. energy: -0.883 local terms energy: -931.579147 where: bonds (distance) C4'-P energy: -152.406 bonds (distance) P-C4' energy: -171.706 flat angles C4'-P-C4' energy: -218.793 flat angles P-C4'-P energy: -121.878 tors. eta vs tors. theta energy: -266.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2757.488232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.488232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.488232 (E_RNA) where: Base-Base interactions energy: -1898.446 where: short stacking energy: -778.110 Base-Backbone interact. energy: -1.405 local terms energy: -857.637208 where: bonds (distance) C4'-P energy: -157.490 bonds (distance) P-C4' energy: -181.648 flat angles C4'-P-C4' energy: -186.900 flat angles P-C4'-P energy: -107.844 tors. eta vs tors. theta energy: -223.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2563.036798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.036798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.036798 (E_RNA) where: Base-Base interactions energy: -1708.750 where: short stacking energy: -765.698 Base-Backbone interact. energy: -6.899 local terms energy: -847.388280 where: bonds (distance) C4'-P energy: -159.472 bonds (distance) P-C4' energy: -179.164 flat angles C4'-P-C4' energy: -181.066 flat angles P-C4'-P energy: -117.497 tors. eta vs tors. theta energy: -210.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2347.815174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.815174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.815174 (E_RNA) where: Base-Base interactions energy: -1566.721 where: short stacking energy: -703.449 Base-Backbone interact. energy: -0.908 local terms energy: -780.185601 where: bonds (distance) C4'-P energy: -139.428 bonds (distance) P-C4' energy: -141.187 flat angles C4'-P-C4' energy: -194.819 flat angles P-C4'-P energy: -113.544 tors. eta vs tors. theta energy: -191.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2141.930621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.930621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.930621 (E_RNA) where: Base-Base interactions energy: -1402.558 where: short stacking energy: -608.537 Base-Backbone interact. energy: -2.920 local terms energy: -736.452050 where: bonds (distance) C4'-P energy: -145.905 bonds (distance) P-C4' energy: -167.101 flat angles C4'-P-C4' energy: -166.351 flat angles P-C4'-P energy: -112.980 tors. eta vs tors. theta energy: -144.115 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: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1892.646402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.646402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.646402 (E_RNA) where: Base-Base interactions energy: -1191.823 where: short stacking energy: -518.474 Base-Backbone interact. energy: -3.784 local terms energy: -697.039818 where: bonds (distance) C4'-P energy: -156.633 bonds (distance) P-C4' energy: -181.764 flat angles C4'-P-C4' energy: -152.068 flat angles P-C4'-P energy: -90.294 tors. eta vs tors. theta energy: -116.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1189.774654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.774654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.774654 (E_RNA) where: Base-Base interactions energy: -652.686 where: short stacking energy: -351.590 Base-Backbone interact. energy: 1.892 local terms energy: -538.980823 where: bonds (distance) C4'-P energy: -140.899 bonds (distance) P-C4' energy: -131.405 flat angles C4'-P-C4' energy: -138.336 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -36.271 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: 209 Temperature: 1.300000 Total energy: -855.556880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.556880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.556880 (E_RNA) where: Base-Base interactions energy: -350.702 where: short stacking energy: -254.538 Base-Backbone interact. energy: 1.178 local terms energy: -506.032806 where: bonds (distance) C4'-P energy: -143.445 bonds (distance) P-C4' energy: -153.315 flat angles C4'-P-C4' energy: -112.767 flat angles P-C4'-P energy: -82.974 tors. eta vs tors. theta energy: -13.532 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: 209 Temperature: 1.350000 Total energy: -676.122911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.122911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.122911 (E_RNA) where: Base-Base interactions energy: -213.975 where: short stacking energy: -179.906 Base-Backbone interact. energy: 6.225 local terms energy: -468.372862 where: bonds (distance) C4'-P energy: -145.071 bonds (distance) P-C4' energy: -164.866 flat angles C4'-P-C4' energy: -131.468 flat angles P-C4'-P energy: -66.409 tors. eta vs tors. theta energy: 39.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3032.224974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.224974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.224974 (E_RNA) where: Base-Base interactions energy: -2061.213 where: short stacking energy: -917.588 Base-Backbone interact. energy: -2.298 local terms energy: -968.713832 where: bonds (distance) C4'-P energy: -168.749 bonds (distance) P-C4' energy: -175.350 flat angles C4'-P-C4' energy: -207.386 flat angles P-C4'-P energy: -142.706 tors. eta vs tors. theta energy: -274.523 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: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2872.781504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.781504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.781504 (E_RNA) where: Base-Base interactions energy: -1950.923 where: short stacking energy: -877.778 Base-Backbone interact. energy: 4.502 local terms energy: -926.361013 where: bonds (distance) C4'-P energy: -171.242 bonds (distance) P-C4' energy: -171.706 flat angles C4'-P-C4' energy: -189.153 flat angles P-C4'-P energy: -139.173 tors. eta vs tors. theta energy: -255.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2734.207514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.207514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.207514 (E_RNA) where: Base-Base interactions energy: -1869.376 where: short stacking energy: -768.949 Base-Backbone interact. energy: -2.812 local terms energy: -862.019277 where: bonds (distance) C4'-P energy: -157.830 bonds (distance) P-C4' energy: -183.379 flat angles C4'-P-C4' energy: -182.854 flat angles P-C4'-P energy: -126.153 tors. eta vs tors. theta energy: -211.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2564.659586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.659586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.659586 (E_RNA) where: Base-Base interactions energy: -1668.674 where: short stacking energy: -749.131 Base-Backbone interact. energy: -4.937 local terms energy: -891.048937 where: bonds (distance) C4'-P energy: -180.567 bonds (distance) P-C4' energy: -173.834 flat angles C4'-P-C4' energy: -189.601 flat angles P-C4'-P energy: -135.151 tors. eta vs tors. theta energy: -211.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2319.374328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.374328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.374328 (E_RNA) where: Base-Base interactions energy: -1571.193 where: short stacking energy: -673.778 Base-Backbone interact. energy: -3.586 local terms energy: -744.596087 where: bonds (distance) C4'-P energy: -141.593 bonds (distance) P-C4' energy: -153.506 flat angles C4'-P-C4' energy: -180.177 flat angles P-C4'-P energy: -101.404 tors. eta vs tors. theta energy: -167.915 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: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2116.980266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.980266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.980266 (E_RNA) where: Base-Base interactions energy: -1376.651 where: short stacking energy: -589.443 Base-Backbone interact. energy: -3.952 local terms energy: -736.377913 where: bonds (distance) C4'-P energy: -174.925 bonds (distance) P-C4' energy: -165.476 flat angles C4'-P-C4' energy: -168.485 flat angles P-C4'-P energy: -97.650 tors. eta vs tors. theta energy: -129.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1947.541641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.541641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.541641 (E_RNA) where: Base-Base interactions energy: -1219.331 where: short stacking energy: -554.364 Base-Backbone interact. energy: 0.046 local terms energy: -728.256450 where: bonds (distance) C4'-P energy: -157.076 bonds (distance) P-C4' energy: -170.890 flat angles C4'-P-C4' energy: -166.466 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -134.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1187.697505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.697505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.697505 (E_RNA) where: Base-Base interactions energy: -645.073 where: short stacking energy: -346.824 Base-Backbone interact. energy: -3.692 local terms energy: -538.932319 where: bonds (distance) C4'-P energy: -144.154 bonds (distance) P-C4' energy: -157.148 flat angles C4'-P-C4' energy: -120.848 flat angles P-C4'-P energy: -77.429 tors. eta vs tors. theta energy: -39.353 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: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -875.770155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.770155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.770155 (E_RNA) where: Base-Base interactions energy: -413.710 where: short stacking energy: -256.773 Base-Backbone interact. energy: 6.026 local terms energy: -468.085802 where: bonds (distance) C4'-P energy: -142.190 bonds (distance) P-C4' energy: -157.834 flat angles C4'-P-C4' energy: -117.547 flat angles P-C4'-P energy: -55.360 tors. eta vs tors. theta energy: 4.846 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: 210 Temperature: 1.350000 Total energy: -679.364433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.364433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.364433 (E_RNA) where: Base-Base interactions energy: -232.710 where: short stacking energy: -177.928 Base-Backbone interact. energy: 10.142 local terms energy: -456.795952 where: bonds (distance) C4'-P energy: -151.277 bonds (distance) P-C4' energy: -162.164 flat angles C4'-P-C4' energy: -123.476 flat angles P-C4'-P energy: -45.380 tors. eta vs tors. theta energy: 25.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3057.408727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.408727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.408727 (E_RNA) where: Base-Base interactions energy: -2084.282 where: short stacking energy: -934.257 Base-Backbone interact. energy: -0.063 local terms energy: -973.063250 where: bonds (distance) C4'-P energy: -173.277 bonds (distance) P-C4' energy: -175.689 flat angles C4'-P-C4' energy: -218.787 flat angles P-C4'-P energy: -139.687 tors. eta vs tors. theta energy: -265.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2867.777019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.777019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.777019 (E_RNA) where: Base-Base interactions energy: -1920.311 where: short stacking energy: -887.292 Base-Backbone interact. energy: 1.099 local terms energy: -948.565319 where: bonds (distance) C4'-P energy: -168.062 bonds (distance) P-C4' energy: -195.024 flat angles C4'-P-C4' energy: -197.063 flat angles P-C4'-P energy: -110.870 tors. eta vs tors. theta energy: -277.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2719.662082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.662082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.662082 (E_RNA) where: Base-Base interactions energy: -1877.609 where: short stacking energy: -790.274 Base-Backbone interact. energy: -4.410 local terms energy: -837.642924 where: bonds (distance) C4'-P energy: -144.344 bonds (distance) P-C4' energy: -173.365 flat angles C4'-P-C4' energy: -177.737 flat angles P-C4'-P energy: -112.638 tors. eta vs tors. theta energy: -229.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2485.380772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.380772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.380772 (E_RNA) where: Base-Base interactions energy: -1606.817 where: short stacking energy: -709.941 Base-Backbone interact. energy: -0.866 local terms energy: -877.697613 where: bonds (distance) C4'-P energy: -170.449 bonds (distance) P-C4' energy: -180.152 flat angles C4'-P-C4' energy: -202.246 flat angles P-C4'-P energy: -125.705 tors. eta vs tors. theta energy: -199.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2352.210287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.210287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.210287 (E_RNA) where: Base-Base interactions energy: -1563.715 where: short stacking energy: -680.378 Base-Backbone interact. energy: -1.292 local terms energy: -787.203315 where: bonds (distance) C4'-P energy: -154.996 bonds (distance) P-C4' energy: -151.945 flat angles C4'-P-C4' energy: -174.501 flat angles P-C4'-P energy: -119.521 tors. eta vs tors. theta energy: -186.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2184.675245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.675245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.675245 (E_RNA) where: Base-Base interactions energy: -1406.743 where: short stacking energy: -614.803 Base-Backbone interact. energy: 0.838 local terms energy: -778.770839 where: bonds (distance) C4'-P energy: -166.042 bonds (distance) P-C4' energy: -184.806 flat angles C4'-P-C4' energy: -183.269 flat angles P-C4'-P energy: -111.144 tors. eta vs tors. theta energy: -133.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1878.547553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.547553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.547553 (E_RNA) where: Base-Base interactions energy: -1205.870 where: short stacking energy: -545.117 Base-Backbone interact. energy: -2.003 local terms energy: -670.674254 where: bonds (distance) C4'-P energy: -139.427 bonds (distance) P-C4' energy: -149.556 flat angles C4'-P-C4' energy: -164.829 flat angles P-C4'-P energy: -95.459 tors. eta vs tors. theta energy: -121.402 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: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1206.480858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.480858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.480858 (E_RNA) where: Base-Base interactions energy: -630.784 where: short stacking energy: -335.829 Base-Backbone interact. energy: 2.111 local terms energy: -577.807343 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -169.883 flat angles C4'-P-C4' energy: -140.786 flat angles P-C4'-P energy: -82.038 tors. eta vs tors. theta energy: -30.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -871.352139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.352139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.352139 (E_RNA) where: Base-Base interactions energy: -371.958 where: short stacking energy: -240.699 Base-Backbone interact. energy: -0.476 local terms energy: -498.918519 where: bonds (distance) C4'-P energy: -125.275 bonds (distance) P-C4' energy: -156.789 flat angles C4'-P-C4' energy: -131.786 flat angles P-C4'-P energy: -88.677 tors. eta vs tors. theta energy: 3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -732.011317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.011317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.011317 (E_RNA) where: Base-Base interactions energy: -329.704 where: short stacking energy: -259.208 Base-Backbone interact. energy: 3.466 local terms energy: -405.773484 where: bonds (distance) C4'-P energy: -114.851 bonds (distance) P-C4' energy: -116.891 flat angles C4'-P-C4' energy: -112.528 flat angles P-C4'-P energy: -72.977 tors. eta vs tors. theta energy: 11.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3094.503211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.503211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.503211 (E_RNA) where: Base-Base interactions energy: -2102.207 where: short stacking energy: -932.405 Base-Backbone interact. energy: -3.611 local terms energy: -988.685941 where: bonds (distance) C4'-P energy: -181.741 bonds (distance) P-C4' energy: -174.844 flat angles C4'-P-C4' energy: -203.093 flat angles P-C4'-P energy: -140.612 tors. eta vs tors. theta energy: -288.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2878.989481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.989481 (E_RNA) where: Base-Base interactions energy: -1939.134 where: short stacking energy: -879.843 Base-Backbone interact. energy: -0.104 local terms energy: -939.751457 where: bonds (distance) C4'-P energy: -173.343 bonds (distance) P-C4' energy: -182.428 flat angles C4'-P-C4' energy: -203.439 flat angles P-C4'-P energy: -111.536 tors. eta vs tors. theta energy: -269.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2742.455452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.455452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.455452 (E_RNA) where: Base-Base interactions energy: -1821.934 where: short stacking energy: -770.982 Base-Backbone interact. energy: -2.788 local terms energy: -917.733279 where: bonds (distance) C4'-P energy: -163.075 bonds (distance) P-C4' energy: -191.118 flat angles C4'-P-C4' energy: -207.216 flat angles P-C4'-P energy: -127.662 tors. eta vs tors. theta energy: -228.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2490.083482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.083482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.083482 (E_RNA) where: Base-Base interactions energy: -1624.215 where: short stacking energy: -725.289 Base-Backbone interact. energy: -0.379 local terms energy: -865.489821 where: bonds (distance) C4'-P energy: -162.564 bonds (distance) P-C4' energy: -165.889 flat angles C4'-P-C4' energy: -201.179 flat angles P-C4'-P energy: -132.217 tors. eta vs tors. theta energy: -203.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2374.857015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.857015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.857015 (E_RNA) where: Base-Base interactions energy: -1573.142 where: short stacking energy: -682.755 Base-Backbone interact. energy: -1.101 local terms energy: -800.613655 where: bonds (distance) C4'-P energy: -149.096 bonds (distance) P-C4' energy: -166.810 flat angles C4'-P-C4' energy: -186.842 flat angles P-C4'-P energy: -109.207 tors. eta vs tors. theta energy: -188.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2092.020732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.020732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.020732 (E_RNA) where: Base-Base interactions energy: -1351.957 where: short stacking energy: -575.859 Base-Backbone interact. energy: -2.232 local terms energy: -737.831751 where: bonds (distance) C4'-P energy: -151.780 bonds (distance) P-C4' energy: -157.160 flat angles C4'-P-C4' energy: -165.945 flat angles P-C4'-P energy: -105.994 tors. eta vs tors. theta energy: -156.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1823.079456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.079456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.079456 (E_RNA) where: Base-Base interactions energy: -1178.375 where: short stacking energy: -543.486 Base-Backbone interact. energy: -2.785 local terms energy: -641.918774 where: bonds (distance) C4'-P energy: -138.187 bonds (distance) P-C4' energy: -161.372 flat angles C4'-P-C4' energy: -165.209 flat angles P-C4'-P energy: -70.230 tors. eta vs tors. theta energy: -106.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1213.481288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.481288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.481288 (E_RNA) where: Base-Base interactions energy: -663.998 where: short stacking energy: -327.136 Base-Backbone interact. energy: 1.911 local terms energy: -551.394126 where: bonds (distance) C4'-P energy: -164.248 bonds (distance) P-C4' energy: -168.921 flat angles C4'-P-C4' energy: -132.413 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -18.601 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: 212 Temperature: 1.300000 Total energy: -797.903179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.903179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.903179 (E_RNA) where: Base-Base interactions energy: -343.189 where: short stacking energy: -231.971 Base-Backbone interact. energy: 0.793 local terms energy: -455.507457 where: bonds (distance) C4'-P energy: -129.506 bonds (distance) P-C4' energy: -141.207 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -82.116 tors. eta vs tors. theta energy: 5.259 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: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -709.920668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.920668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.920668 (E_RNA) where: Base-Base interactions energy: -265.294 where: short stacking energy: -168.342 Base-Backbone interact. energy: 4.794 local terms energy: -449.420680 where: bonds (distance) C4'-P energy: -156.089 bonds (distance) P-C4' energy: -143.450 flat angles C4'-P-C4' energy: -122.897 flat angles P-C4'-P energy: -69.117 tors. eta vs tors. theta energy: 42.132 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: 213 Temperature: 0.900000 Total energy: -3047.008303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.008303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.008303 (E_RNA) where: Base-Base interactions energy: -2065.759 where: short stacking energy: -906.782 Base-Backbone interact. energy: -1.450 local terms energy: -979.799175 where: bonds (distance) C4'-P energy: -173.549 bonds (distance) P-C4' energy: -180.828 flat angles C4'-P-C4' energy: -212.979 flat angles P-C4'-P energy: -137.955 tors. eta vs tors. theta energy: -274.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2868.535715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.535715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.535715 (E_RNA) where: Base-Base interactions energy: -1928.835 where: short stacking energy: -865.264 Base-Backbone interact. energy: -1.057 local terms energy: -938.643163 where: bonds (distance) C4'-P energy: -166.378 bonds (distance) P-C4' energy: -177.487 flat angles C4'-P-C4' energy: -210.937 flat angles P-C4'-P energy: -127.481 tors. eta vs tors. theta energy: -256.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2772.646212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.646212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.646212 (E_RNA) where: Base-Base interactions energy: -1896.894 where: short stacking energy: -781.733 Base-Backbone interact. energy: -3.551 local terms energy: -872.201681 where: bonds (distance) C4'-P energy: -166.058 bonds (distance) P-C4' energy: -167.444 flat angles C4'-P-C4' energy: -195.490 flat angles P-C4'-P energy: -120.492 tors. eta vs tors. theta energy: -222.718 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2489.218830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.218830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.218830 (E_RNA) where: Base-Base interactions energy: -1670.731 where: short stacking energy: -726.943 Base-Backbone interact. energy: -1.050 local terms energy: -817.437757 where: bonds (distance) C4'-P energy: -176.067 bonds (distance) P-C4' energy: -159.744 flat angles C4'-P-C4' energy: -174.098 flat angles P-C4'-P energy: -114.817 tors. eta vs tors. theta energy: -192.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2402.692934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.692934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.692934 (E_RNA) where: Base-Base interactions energy: -1549.571 where: short stacking energy: -692.932 Base-Backbone interact. energy: -3.067 local terms energy: -850.054892 where: bonds (distance) C4'-P energy: -179.051 bonds (distance) P-C4' energy: -176.349 flat angles C4'-P-C4' energy: -190.705 flat angles P-C4'-P energy: -119.150 tors. eta vs tors. theta energy: -184.799 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: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2149.602716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.602716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.602716 (E_RNA) where: Base-Base interactions energy: -1418.579 where: short stacking energy: -610.464 Base-Backbone interact. energy: -0.562 local terms energy: -730.461658 where: bonds (distance) C4'-P energy: -164.885 bonds (distance) P-C4' energy: -161.959 flat angles C4'-P-C4' energy: -169.134 flat angles P-C4'-P energy: -96.119 tors. eta vs tors. theta energy: -138.365 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: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1830.038620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.038620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.038620 (E_RNA) where: Base-Base interactions energy: -1155.535 where: short stacking energy: -528.708 Base-Backbone interact. energy: 1.255 local terms energy: -675.758858 where: bonds (distance) C4'-P energy: -133.448 bonds (distance) P-C4' energy: -164.443 flat angles C4'-P-C4' energy: -158.231 flat angles P-C4'-P energy: -87.245 tors. eta vs tors. theta energy: -132.391 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: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1205.435341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.435341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.435341 (E_RNA) where: Base-Base interactions energy: -639.861 where: short stacking energy: -340.952 Base-Backbone interact. energy: 4.187 local terms energy: -569.761497 where: bonds (distance) C4'-P energy: -135.827 bonds (distance) P-C4' energy: -172.411 flat angles C4'-P-C4' energy: -163.822 flat angles P-C4'-P energy: -76.023 tors. eta vs tors. theta energy: -21.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -866.448285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.448285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.448285 (E_RNA) where: Base-Base interactions energy: -384.157 where: short stacking energy: -245.036 Base-Backbone interact. energy: -0.343 local terms energy: -481.947987 where: bonds (distance) C4'-P energy: -144.400 bonds (distance) P-C4' energy: -144.403 flat angles C4'-P-C4' energy: -128.765 flat angles P-C4'-P energy: -71.158 tors. eta vs tors. theta energy: 6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -743.120030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.120030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.120030 (E_RNA) where: Base-Base interactions energy: -265.022 where: short stacking energy: -195.117 Base-Backbone interact. energy: 1.408 local terms energy: -479.505952 where: bonds (distance) C4'-P energy: -149.319 bonds (distance) P-C4' energy: -163.515 flat angles C4'-P-C4' energy: -123.595 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: 17.903 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: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3020.024784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.024784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.024784 (E_RNA) where: Base-Base interactions energy: -2031.101 where: short stacking energy: -886.341 Base-Backbone interact. energy: -2.901 local terms energy: -986.022790 where: bonds (distance) C4'-P energy: -190.093 bonds (distance) P-C4' energy: -185.164 flat angles C4'-P-C4' energy: -204.128 flat angles P-C4'-P energy: -141.116 tors. eta vs tors. theta energy: -265.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2860.593948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.593948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.593948 (E_RNA) where: Base-Base interactions energy: -1938.972 where: short stacking energy: -855.708 Base-Backbone interact. energy: -3.222 local terms energy: -918.400142 where: bonds (distance) C4'-P energy: -169.994 bonds (distance) P-C4' energy: -176.452 flat angles C4'-P-C4' energy: -207.057 flat angles P-C4'-P energy: -120.290 tors. eta vs tors. theta energy: -244.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2729.751176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.751176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.751176 (E_RNA) where: Base-Base interactions energy: -1879.428 where: short stacking energy: -790.087 Base-Backbone interact. energy: -5.065 local terms energy: -845.258887 where: bonds (distance) C4'-P energy: -167.652 bonds (distance) P-C4' energy: -160.473 flat angles C4'-P-C4' energy: -186.347 flat angles P-C4'-P energy: -112.634 tors. eta vs tors. theta energy: -218.153 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: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2450.961953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.961953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.961953 (E_RNA) where: Base-Base interactions energy: -1617.930 where: short stacking energy: -749.761 Base-Backbone interact. energy: 1.585 local terms energy: -834.617297 where: bonds (distance) C4'-P energy: -146.541 bonds (distance) P-C4' energy: -192.043 flat angles C4'-P-C4' energy: -173.117 flat angles P-C4'-P energy: -127.711 tors. eta vs tors. theta energy: -195.205 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: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2497.375764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.375764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.375764 (E_RNA) where: Base-Base interactions energy: -1657.231 where: short stacking energy: -716.287 Base-Backbone interact. energy: -0.695 local terms energy: -839.449692 where: bonds (distance) C4'-P energy: -162.712 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -189.018 flat angles P-C4'-P energy: -130.225 tors. eta vs tors. theta energy: -199.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2154.523812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.523812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.523812 (E_RNA) where: Base-Base interactions energy: -1395.222 where: short stacking energy: -571.605 Base-Backbone interact. energy: -0.747 local terms energy: -758.555160 where: bonds (distance) C4'-P energy: -177.468 bonds (distance) P-C4' energy: -161.614 flat angles C4'-P-C4' energy: -169.387 flat angles P-C4'-P energy: -111.465 tors. eta vs tors. theta energy: -138.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1843.587706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.587706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.587706 (E_RNA) where: Base-Base interactions energy: -1131.355 where: short stacking energy: -550.772 Base-Backbone interact. energy: 7.061 local terms energy: -719.294270 where: bonds (distance) C4'-P energy: -149.230 bonds (distance) P-C4' energy: -162.903 flat angles C4'-P-C4' energy: -175.463 flat angles P-C4'-P energy: -105.806 tors. eta vs tors. theta energy: -125.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1182.615976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.615976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.615976 (E_RNA) where: Base-Base interactions energy: -621.428 where: short stacking energy: -335.512 Base-Backbone interact. energy: -2.114 local terms energy: -559.073945 where: bonds (distance) C4'-P energy: -125.768 bonds (distance) P-C4' energy: -176.061 flat angles C4'-P-C4' energy: -152.621 flat angles P-C4'-P energy: -68.039 tors. eta vs tors. theta energy: -36.585 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -872.967845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.967845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.967845 (E_RNA) where: Base-Base interactions energy: -367.135 where: short stacking energy: -247.367 Base-Backbone interact. energy: -1.120 local terms energy: -504.712517 where: bonds (distance) C4'-P energy: -143.137 bonds (distance) P-C4' energy: -168.742 flat angles C4'-P-C4' energy: -132.158 flat angles P-C4'-P energy: -73.242 tors. eta vs tors. theta energy: 12.566 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: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -699.724323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.724323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.724323 (E_RNA) where: Base-Base interactions energy: -243.146 where: short stacking energy: -193.199 Base-Backbone interact. energy: 4.926 local terms energy: -461.505239 where: bonds (distance) C4'-P energy: -150.281 bonds (distance) P-C4' energy: -149.332 flat angles C4'-P-C4' energy: -110.152 flat angles P-C4'-P energy: -67.498 tors. eta vs tors. theta energy: 15.757 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: 215 Temperature: 0.900000 Total energy: -3030.683345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.683345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.683345 (E_RNA) where: Base-Base interactions energy: -2066.749 where: short stacking energy: -900.769 Base-Backbone interact. energy: -5.609 local terms energy: -958.324909 where: bonds (distance) C4'-P energy: -169.947 bonds (distance) P-C4' energy: -184.852 flat angles C4'-P-C4' energy: -201.564 flat angles P-C4'-P energy: -135.316 tors. eta vs tors. theta energy: -266.645 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: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2879.619693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.619693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.619693 (E_RNA) where: Base-Base interactions energy: -1923.504 where: short stacking energy: -878.910 Base-Backbone interact. energy: -2.722 local terms energy: -953.393779 where: bonds (distance) C4'-P energy: -180.479 bonds (distance) P-C4' energy: -189.487 flat angles C4'-P-C4' energy: -198.961 flat angles P-C4'-P energy: -125.354 tors. eta vs tors. theta energy: -259.112 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: 215 Temperature: 1.000000 Total energy: -2694.975763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.975763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.975763 (E_RNA) where: Base-Base interactions energy: -1820.209 where: short stacking energy: -764.161 Base-Backbone interact. energy: -4.401 local terms energy: -870.365968 where: bonds (distance) C4'-P energy: -158.305 bonds (distance) P-C4' energy: -172.198 flat angles C4'-P-C4' energy: -200.894 flat angles P-C4'-P energy: -108.553 tors. eta vs tors. theta energy: -230.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2444.619156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.619156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.619156 (E_RNA) where: Base-Base interactions energy: -1662.394 where: short stacking energy: -726.204 Base-Backbone interact. energy: 1.364 local terms energy: -783.589972 where: bonds (distance) C4'-P energy: -174.306 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -167.873 flat angles P-C4'-P energy: -104.137 tors. eta vs tors. theta energy: -190.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2424.842864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.842864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.842864 (E_RNA) where: Base-Base interactions energy: -1612.679 where: short stacking energy: -673.740 Base-Backbone interact. energy: -4.290 local terms energy: -807.874326 where: bonds (distance) C4'-P energy: -153.735 bonds (distance) P-C4' energy: -177.673 flat angles C4'-P-C4' energy: -192.439 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -185.806 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: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2238.152116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.152116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.152116 (E_RNA) where: Base-Base interactions energy: -1456.511 where: short stacking energy: -611.250 Base-Backbone interact. energy: -3.334 local terms energy: -778.306522 where: bonds (distance) C4'-P energy: -143.777 bonds (distance) P-C4' energy: -166.675 flat angles C4'-P-C4' energy: -185.432 flat angles P-C4'-P energy: -104.968 tors. eta vs tors. theta energy: -177.454 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: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1832.908301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.908301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.908301 (E_RNA) where: Base-Base interactions energy: -1146.868 where: short stacking energy: -518.984 Base-Backbone interact. energy: 2.621 local terms energy: -688.661448 where: bonds (distance) C4'-P energy: -165.690 bonds (distance) P-C4' energy: -144.389 flat angles C4'-P-C4' energy: -160.538 flat angles P-C4'-P energy: -93.104 tors. eta vs tors. theta energy: -124.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1225.170414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.170414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.170414 (E_RNA) where: Base-Base interactions energy: -643.033 where: short stacking energy: -335.732 Base-Backbone interact. energy: 4.026 local terms energy: -586.162991 where: bonds (distance) C4'-P energy: -143.055 bonds (distance) P-C4' energy: -176.892 flat angles C4'-P-C4' energy: -159.500 flat angles P-C4'-P energy: -76.274 tors. eta vs tors. theta energy: -30.441 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: 215 Temperature: 1.300000 Total energy: -877.326978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.326978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.326978 (E_RNA) where: Base-Base interactions energy: -417.587 where: short stacking energy: -266.204 Base-Backbone interact. energy: 1.048 local terms energy: -460.787731 where: bonds (distance) C4'-P energy: -138.733 bonds (distance) P-C4' energy: -135.881 flat angles C4'-P-C4' energy: -122.983 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: 11.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -683.471039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.471039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.471039 (E_RNA) where: Base-Base interactions energy: -237.002 where: short stacking energy: -212.645 Base-Backbone interact. energy: -2.894 local terms energy: -443.575633 where: bonds (distance) C4'-P energy: -134.160 bonds (distance) P-C4' energy: -138.141 flat angles C4'-P-C4' energy: -121.830 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: 26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3066.415298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.415298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.415298 (E_RNA) where: Base-Base interactions energy: -2108.743 where: short stacking energy: -921.557 Base-Backbone interact. energy: -4.716 local terms energy: -952.955800 where: bonds (distance) C4'-P energy: -180.533 bonds (distance) P-C4' energy: -183.610 flat angles C4'-P-C4' energy: -203.436 flat angles P-C4'-P energy: -120.263 tors. eta vs tors. theta energy: -265.114 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: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2868.920807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.920807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.920807 (E_RNA) where: Base-Base interactions energy: -1931.876 where: short stacking energy: -861.497 Base-Backbone interact. energy: -7.429 local terms energy: -929.615835 where: bonds (distance) C4'-P energy: -168.533 bonds (distance) P-C4' energy: -174.825 flat angles C4'-P-C4' energy: -213.283 flat angles P-C4'-P energy: -118.638 tors. eta vs tors. theta energy: -254.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2701.710663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.710663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.710663 (E_RNA) where: Base-Base interactions energy: -1831.262 where: short stacking energy: -785.712 Base-Backbone interact. energy: -1.348 local terms energy: -869.100534 where: bonds (distance) C4'-P energy: -157.775 bonds (distance) P-C4' energy: -148.738 flat angles C4'-P-C4' energy: -198.097 flat angles P-C4'-P energy: -136.209 tors. eta vs tors. theta energy: -228.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2500.402652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.402652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.402652 (E_RNA) where: Base-Base interactions energy: -1664.868 where: short stacking energy: -764.281 Base-Backbone interact. energy: 0.543 local terms energy: -836.077675 where: bonds (distance) C4'-P energy: -150.856 bonds (distance) P-C4' energy: -180.184 flat angles C4'-P-C4' energy: -165.907 flat angles P-C4'-P energy: -114.979 tors. eta vs tors. theta energy: -224.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2398.951884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.951884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.951884 (E_RNA) where: Base-Base interactions energy: -1596.384 where: short stacking energy: -727.712 Base-Backbone interact. energy: -0.975 local terms energy: -801.592393 where: bonds (distance) C4'-P energy: -147.687 bonds (distance) P-C4' energy: -166.280 flat angles C4'-P-C4' energy: -185.729 flat angles P-C4'-P energy: -95.188 tors. eta vs tors. theta energy: -206.709 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: 216 Temperature: 1.150000 Total energy: -2309.799901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.799901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.799901 (E_RNA) where: Base-Base interactions energy: -1534.342 where: short stacking energy: -685.605 Base-Backbone interact. energy: -2.439 local terms energy: -773.019320 where: bonds (distance) C4'-P energy: -159.011 bonds (distance) P-C4' energy: -166.291 flat angles C4'-P-C4' energy: -159.203 flat angles P-C4'-P energy: -92.973 tors. eta vs tors. theta energy: -195.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1797.254755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.254755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.254755 (E_RNA) where: Base-Base interactions energy: -1156.629 where: short stacking energy: -524.144 Base-Backbone interact. energy: 2.483 local terms energy: -643.108720 where: bonds (distance) C4'-P energy: -137.907 bonds (distance) P-C4' energy: -135.826 flat angles C4'-P-C4' energy: -146.003 flat angles P-C4'-P energy: -121.195 tors. eta vs tors. theta energy: -102.178 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: 216 Temperature: 1.250000 Total energy: -1223.021667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.021667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.021667 (E_RNA) where: Base-Base interactions energy: -671.576 where: short stacking energy: -335.670 Base-Backbone interact. energy: 0.638 local terms energy: -552.083768 where: bonds (distance) C4'-P energy: -136.964 bonds (distance) P-C4' energy: -165.742 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -87.065 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: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -838.229671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.229671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.229671 (E_RNA) where: Base-Base interactions energy: -365.540 where: short stacking energy: -233.427 Base-Backbone interact. energy: 1.358 local terms energy: -474.048477 where: bonds (distance) C4'-P energy: -151.533 bonds (distance) P-C4' energy: -135.686 flat angles C4'-P-C4' energy: -130.886 flat angles P-C4'-P energy: -78.709 tors. eta vs tors. theta energy: 22.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -676.336957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.336957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.336957 (E_RNA) where: Base-Base interactions energy: -225.198 where: short stacking energy: -184.165 Base-Backbone interact. energy: 6.205 local terms energy: -457.343999 where: bonds (distance) C4'-P energy: -138.136 bonds (distance) P-C4' energy: -147.856 flat angles C4'-P-C4' energy: -113.754 flat angles P-C4'-P energy: -87.312 tors. eta vs tors. theta energy: 29.714 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: 217 Temperature: 0.900000 Total energy: -3045.393410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.393410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.393410 (E_RNA) where: Base-Base interactions energy: -2064.436 where: short stacking energy: -921.478 Base-Backbone interact. energy: -3.769 local terms energy: -977.188440 where: bonds (distance) C4'-P energy: -155.727 bonds (distance) P-C4' energy: -193.742 flat angles C4'-P-C4' energy: -209.618 flat angles P-C4'-P energy: -143.920 tors. eta vs tors. theta energy: -274.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2902.976422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.976422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.976422 (E_RNA) where: Base-Base interactions energy: -1970.958 where: short stacking energy: -897.436 Base-Backbone interact. energy: -1.454 local terms energy: -930.565183 where: bonds (distance) C4'-P energy: -162.846 bonds (distance) P-C4' energy: -163.745 flat angles C4'-P-C4' energy: -205.436 flat angles P-C4'-P energy: -127.379 tors. eta vs tors. theta energy: -271.159 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: 217 Temperature: 1.000000 Total energy: -2722.146323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.146323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.146323 (E_RNA) where: Base-Base interactions energy: -1855.039 where: short stacking energy: -808.582 Base-Backbone interact. energy: -6.772 local terms energy: -860.335172 where: bonds (distance) C4'-P energy: -174.331 bonds (distance) P-C4' energy: -165.684 flat angles C4'-P-C4' energy: -177.752 flat angles P-C4'-P energy: -124.609 tors. eta vs tors. theta energy: -217.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2463.625153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.625153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.625153 (E_RNA) where: Base-Base interactions energy: -1613.488 where: short stacking energy: -731.078 Base-Backbone interact. energy: -4.183 local terms energy: -845.954030 where: bonds (distance) C4'-P energy: -178.864 bonds (distance) P-C4' energy: -176.305 flat angles C4'-P-C4' energy: -181.177 flat angles P-C4'-P energy: -94.227 tors. eta vs tors. theta energy: -215.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2344.076356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.076356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.076356 (E_RNA) where: Base-Base interactions energy: -1555.968 where: short stacking energy: -684.264 Base-Backbone interact. energy: -3.590 local terms energy: -784.518413 where: bonds (distance) C4'-P energy: -155.629 bonds (distance) P-C4' energy: -167.369 flat angles C4'-P-C4' energy: -170.394 flat angles P-C4'-P energy: -107.730 tors. eta vs tors. theta energy: -183.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2236.327768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.327768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.327768 (E_RNA) where: Base-Base interactions energy: -1465.455 where: short stacking energy: -643.695 Base-Backbone interact. energy: 4.736 local terms energy: -775.608904 where: bonds (distance) C4'-P energy: -184.025 bonds (distance) P-C4' energy: -145.748 flat angles C4'-P-C4' energy: -177.455 flat angles P-C4'-P energy: -101.686 tors. eta vs tors. theta energy: -166.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1791.979770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.979770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.979770 (E_RNA) where: Base-Base interactions energy: -1143.846 where: short stacking energy: -522.052 Base-Backbone interact. energy: 2.807 local terms energy: -650.940993 where: bonds (distance) C4'-P energy: -126.011 bonds (distance) P-C4' energy: -157.643 flat angles C4'-P-C4' energy: -145.923 flat angles P-C4'-P energy: -103.629 tors. eta vs tors. theta energy: -117.734 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: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1278.702602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.702602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.702602 (E_RNA) where: Base-Base interactions energy: -704.816 where: short stacking energy: -343.703 Base-Backbone interact. energy: 0.777 local terms energy: -574.664013 where: bonds (distance) C4'-P energy: -162.367 bonds (distance) P-C4' energy: -147.680 flat angles C4'-P-C4' energy: -138.698 flat angles P-C4'-P energy: -89.349 tors. eta vs tors. theta energy: -36.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -860.704820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.704820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.704820 (E_RNA) where: Base-Base interactions energy: -374.774 where: short stacking energy: -244.489 Base-Backbone interact. energy: 2.464 local terms energy: -488.393991 where: bonds (distance) C4'-P energy: -150.951 bonds (distance) P-C4' energy: -155.890 flat angles C4'-P-C4' energy: -124.377 flat angles P-C4'-P energy: -55.747 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -667.258801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.258801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.258801 (E_RNA) where: Base-Base interactions energy: -260.590 where: short stacking energy: -181.882 Base-Backbone interact. energy: -0.918 local terms energy: -405.751386 where: bonds (distance) C4'-P energy: -125.259 bonds (distance) P-C4' energy: -139.896 flat angles C4'-P-C4' energy: -125.049 flat angles P-C4'-P energy: -53.427 tors. eta vs tors. theta energy: 37.879 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: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3045.118224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.118224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.118224 (E_RNA) where: Base-Base interactions energy: -2063.561 where: short stacking energy: -918.708 Base-Backbone interact. energy: -3.168 local terms energy: -978.389324 where: bonds (distance) C4'-P energy: -190.365 bonds (distance) P-C4' energy: -180.323 flat angles C4'-P-C4' energy: -205.857 flat angles P-C4'-P energy: -123.414 tors. eta vs tors. theta energy: -278.430 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: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2849.435791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.435791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.435791 (E_RNA) where: Base-Base interactions energy: -1896.751 where: short stacking energy: -851.485 Base-Backbone interact. energy: -4.789 local terms energy: -947.895648 where: bonds (distance) C4'-P energy: -182.223 bonds (distance) P-C4' energy: -168.694 flat angles C4'-P-C4' energy: -200.338 flat angles P-C4'-P energy: -141.649 tors. eta vs tors. theta energy: -254.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2701.947850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.947850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.947850 (E_RNA) where: Base-Base interactions energy: -1826.363 where: short stacking energy: -805.620 Base-Backbone interact. energy: -2.379 local terms energy: -873.206080 where: bonds (distance) C4'-P energy: -177.403 bonds (distance) P-C4' energy: -164.378 flat angles C4'-P-C4' energy: -178.961 flat angles P-C4'-P energy: -122.982 tors. eta vs tors. theta energy: -229.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2397.657580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.657580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.657580 (E_RNA) where: Base-Base interactions energy: -1561.104 where: short stacking energy: -688.556 Base-Backbone interact. energy: -0.836 local terms energy: -835.718128 where: bonds (distance) C4'-P energy: -155.467 bonds (distance) P-C4' energy: -173.535 flat angles C4'-P-C4' energy: -195.550 flat angles P-C4'-P energy: -113.254 tors. eta vs tors. theta energy: -197.912 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: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2372.888716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.888716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.888716 (E_RNA) where: Base-Base interactions energy: -1562.468 where: short stacking energy: -697.248 Base-Backbone interact. energy: 1.530 local terms energy: -811.951429 where: bonds (distance) C4'-P energy: -171.304 bonds (distance) P-C4' energy: -135.407 flat angles C4'-P-C4' energy: -196.038 flat angles P-C4'-P energy: -114.197 tors. eta vs tors. theta energy: -195.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2216.401313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.401313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.401313 (E_RNA) where: Base-Base interactions energy: -1444.954 where: short stacking energy: -623.949 Base-Backbone interact. energy: -0.853 local terms energy: -770.593795 where: bonds (distance) C4'-P energy: -151.268 bonds (distance) P-C4' energy: -168.376 flat angles C4'-P-C4' energy: -167.221 flat angles P-C4'-P energy: -121.265 tors. eta vs tors. theta energy: -162.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1852.953360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.953360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.953360 (E_RNA) where: Base-Base interactions energy: -1163.314 where: short stacking energy: -516.211 Base-Backbone interact. energy: 3.155 local terms energy: -692.794674 where: bonds (distance) C4'-P energy: -156.425 bonds (distance) P-C4' energy: -172.397 flat angles C4'-P-C4' energy: -158.298 flat angles P-C4'-P energy: -91.826 tors. eta vs tors. theta energy: -113.849 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: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1367.271866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.271866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.271866 (E_RNA) where: Base-Base interactions energy: -781.355 where: short stacking energy: -366.116 Base-Backbone interact. energy: -2.714 local terms energy: -583.203263 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -156.039 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -88.013 tors. eta vs tors. theta energy: -43.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -890.029295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.029295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.029295 (E_RNA) where: Base-Base interactions energy: -406.845 where: short stacking energy: -227.774 Base-Backbone interact. energy: -0.062 local terms energy: -483.122444 where: bonds (distance) C4'-P energy: -149.556 bonds (distance) P-C4' energy: -145.689 flat angles C4'-P-C4' energy: -113.211 flat angles P-C4'-P energy: -73.949 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -662.054697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.054697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.054697 (E_RNA) where: Base-Base interactions energy: -256.479 where: short stacking energy: -217.332 Base-Backbone interact. energy: -0.641 local terms energy: -404.935472 where: bonds (distance) C4'-P energy: -137.085 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -118.894 flat angles P-C4'-P energy: -37.519 tors. eta vs tors. theta energy: 35.174 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: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3034.555867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.555867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.555867 (E_RNA) where: Base-Base interactions energy: -2056.799 where: short stacking energy: -920.092 Base-Backbone interact. energy: -3.265 local terms energy: -974.492387 where: bonds (distance) C4'-P energy: -175.276 bonds (distance) P-C4' energy: -172.078 flat angles C4'-P-C4' energy: -218.423 flat angles P-C4'-P energy: -133.701 tors. eta vs tors. theta energy: -275.014 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: 2 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2873.369444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.369444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.369444 (E_RNA) where: Base-Base interactions energy: -1950.982 where: short stacking energy: -872.532 Base-Backbone interact. energy: 1.204 local terms energy: -923.591163 where: bonds (distance) C4'-P energy: -174.642 bonds (distance) P-C4' energy: -166.527 flat angles C4'-P-C4' energy: -202.984 flat angles P-C4'-P energy: -125.372 tors. eta vs tors. theta energy: -254.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2749.453095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.453095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.453095 (E_RNA) where: Base-Base interactions energy: -1851.382 where: short stacking energy: -783.086 Base-Backbone interact. energy: -3.487 local terms energy: -894.584577 where: bonds (distance) C4'-P energy: -170.224 bonds (distance) P-C4' energy: -183.687 flat angles C4'-P-C4' energy: -195.806 flat angles P-C4'-P energy: -121.425 tors. eta vs tors. theta energy: -223.443 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: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2341.398138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.398138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.398138 (E_RNA) where: Base-Base interactions energy: -1569.027 where: short stacking energy: -705.123 Base-Backbone interact. energy: -0.896 local terms energy: -771.474916 where: bonds (distance) C4'-P energy: -169.160 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -172.296 flat angles P-C4'-P energy: -116.321 tors. eta vs tors. theta energy: -176.670 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2380.368474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.368474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.368474 (E_RNA) where: Base-Base interactions energy: -1564.344 where: short stacking energy: -681.659 Base-Backbone interact. energy: -1.961 local terms energy: -814.064017 where: bonds (distance) C4'-P energy: -161.714 bonds (distance) P-C4' energy: -176.697 flat angles C4'-P-C4' energy: -166.292 flat angles P-C4'-P energy: -119.892 tors. eta vs tors. theta energy: -189.469 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: 219 Temperature: 1.150000 Total energy: -2249.462070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.462070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.462070 (E_RNA) where: Base-Base interactions energy: -1476.949 where: short stacking energy: -658.019 Base-Backbone interact. energy: 0.292 local terms energy: -772.804136 where: bonds (distance) C4'-P energy: -143.966 bonds (distance) P-C4' energy: -155.489 flat angles C4'-P-C4' energy: -176.260 flat angles P-C4'-P energy: -115.371 tors. eta vs tors. theta energy: -181.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1889.733992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.733992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.733992 (E_RNA) where: Base-Base interactions energy: -1198.768 where: short stacking energy: -532.689 Base-Backbone interact. energy: -1.616 local terms energy: -689.349788 where: bonds (distance) C4'-P energy: -149.293 bonds (distance) P-C4' energy: -185.158 flat angles C4'-P-C4' energy: -145.601 flat angles P-C4'-P energy: -96.289 tors. eta vs tors. theta energy: -113.008 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: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1395.950758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.950758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.950758 (E_RNA) where: Base-Base interactions energy: -805.482 where: short stacking energy: -424.470 Base-Backbone interact. energy: 2.535 local terms energy: -593.003586 where: bonds (distance) C4'-P energy: -131.026 bonds (distance) P-C4' energy: -167.449 flat angles C4'-P-C4' energy: -133.827 flat angles P-C4'-P energy: -83.670 tors. eta vs tors. theta energy: -77.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -828.447625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.447625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.447625 (E_RNA) where: Base-Base interactions energy: -373.237 where: short stacking energy: -225.584 Base-Backbone interact. energy: 8.434 local terms energy: -463.644994 where: bonds (distance) C4'-P energy: -137.246 bonds (distance) P-C4' energy: -171.873 flat angles C4'-P-C4' energy: -112.144 flat angles P-C4'-P energy: -72.016 tors. eta vs tors. theta energy: 29.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -665.856589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.856589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.856589 (E_RNA) where: Base-Base interactions energy: -205.337 where: short stacking energy: -165.092 Base-Backbone interact. energy: -1.195 local terms energy: -459.324138 where: bonds (distance) C4'-P energy: -135.777 bonds (distance) P-C4' energy: -165.328 flat angles C4'-P-C4' energy: -128.627 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: 35.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3047.851465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.851465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.851465 (E_RNA) where: Base-Base interactions energy: -2049.074 where: short stacking energy: -918.136 Base-Backbone interact. energy: -1.389 local terms energy: -997.388105 where: bonds (distance) C4'-P energy: -194.523 bonds (distance) P-C4' energy: -193.779 flat angles C4'-P-C4' energy: -198.990 flat angles P-C4'-P energy: -148.099 tors. eta vs tors. theta energy: -261.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2865.757402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.757402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.757402 (E_RNA) where: Base-Base interactions energy: -1946.333 where: short stacking energy: -859.668 Base-Backbone interact. energy: -3.925 local terms energy: -915.499885 where: bonds (distance) C4'-P energy: -182.828 bonds (distance) P-C4' energy: -163.586 flat angles C4'-P-C4' energy: -195.396 flat angles P-C4'-P energy: -122.444 tors. eta vs tors. theta energy: -251.246 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: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2751.354030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.354030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.354030 (E_RNA) where: Base-Base interactions energy: -1837.493 where: short stacking energy: -791.901 Base-Backbone interact. energy: -2.665 local terms energy: -911.195473 where: bonds (distance) C4'-P energy: -171.349 bonds (distance) P-C4' energy: -168.432 flat angles C4'-P-C4' energy: -207.217 flat angles P-C4'-P energy: -144.084 tors. eta vs tors. theta energy: -220.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2398.119163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.119163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.119163 (E_RNA) where: Base-Base interactions energy: -1592.594 where: short stacking energy: -677.156 Base-Backbone interact. energy: 3.413 local terms energy: -808.938324 where: bonds (distance) C4'-P energy: -166.754 bonds (distance) P-C4' energy: -184.131 flat angles C4'-P-C4' energy: -166.513 flat angles P-C4'-P energy: -110.230 tors. eta vs tors. theta energy: -181.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2309.952128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.952128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.952128 (E_RNA) where: Base-Base interactions energy: -1519.544 where: short stacking energy: -697.454 Base-Backbone interact. energy: -2.448 local terms energy: -787.960153 where: bonds (distance) C4'-P energy: -161.766 bonds (distance) P-C4' energy: -158.210 flat angles C4'-P-C4' energy: -176.443 flat angles P-C4'-P energy: -104.471 tors. eta vs tors. theta energy: -187.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2251.432647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.432647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.432647 (E_RNA) where: Base-Base interactions energy: -1491.998 where: short stacking energy: -641.842 Base-Backbone interact. energy: -1.739 local terms energy: -757.695869 where: bonds (distance) C4'-P energy: -160.618 bonds (distance) P-C4' energy: -161.937 flat angles C4'-P-C4' energy: -177.513 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -172.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1988.847185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.847185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.847185 (E_RNA) where: Base-Base interactions energy: -1256.249 where: short stacking energy: -560.172 Base-Backbone interact. energy: -3.823 local terms energy: -728.774298 where: bonds (distance) C4'-P energy: -150.544 bonds (distance) P-C4' energy: -172.895 flat angles C4'-P-C4' energy: -157.337 flat angles P-C4'-P energy: -100.700 tors. eta vs tors. theta energy: -147.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1288.794192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.794192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.794192 (E_RNA) where: Base-Base interactions energy: -726.349 where: short stacking energy: -349.277 Base-Backbone interact. energy: -1.229 local terms energy: -561.216442 where: bonds (distance) C4'-P energy: -152.710 bonds (distance) P-C4' energy: -152.410 flat angles C4'-P-C4' energy: -145.908 flat angles P-C4'-P energy: -85.074 tors. eta vs tors. theta energy: -25.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -788.731838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.731838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.731838 (E_RNA) where: Base-Base interactions energy: -343.590 where: short stacking energy: -222.764 Base-Backbone interact. energy: -0.538 local terms energy: -444.603502 where: bonds (distance) C4'-P energy: -133.747 bonds (distance) P-C4' energy: -151.490 flat angles C4'-P-C4' energy: -119.597 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: 26.914 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: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -692.081302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.081302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.081302 (E_RNA) where: Base-Base interactions energy: -248.656 where: short stacking energy: -178.949 Base-Backbone interact. energy: 1.910 local terms energy: -445.335613 where: bonds (distance) C4'-P energy: -154.298 bonds (distance) P-C4' energy: -132.852 flat angles C4'-P-C4' energy: -116.087 flat angles P-C4'-P energy: -79.824 tors. eta vs tors. theta energy: 37.725 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: 221 Temperature: 0.900000 Total energy: -3051.211862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.211862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.211862 (E_RNA) where: Base-Base interactions energy: -2058.403 where: short stacking energy: -916.322 Base-Backbone interact. energy: -3.250 local terms energy: -989.558524 where: bonds (distance) C4'-P energy: -160.830 bonds (distance) P-C4' energy: -188.868 flat angles C4'-P-C4' energy: -225.345 flat angles P-C4'-P energy: -145.830 tors. eta vs tors. theta energy: -268.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2879.652893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.652893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.652893 (E_RNA) where: Base-Base interactions energy: -1952.053 where: short stacking energy: -878.430 Base-Backbone interact. energy: -2.244 local terms energy: -925.355882 where: bonds (distance) C4'-P energy: -158.837 bonds (distance) P-C4' energy: -186.588 flat angles C4'-P-C4' energy: -205.227 flat angles P-C4'-P energy: -122.335 tors. eta vs tors. theta energy: -252.370 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: 221 Temperature: 1.000000 Total energy: -2755.599863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.599863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.599863 (E_RNA) where: Base-Base interactions energy: -1860.259 where: short stacking energy: -797.134 Base-Backbone interact. energy: -3.466 local terms energy: -891.874491 where: bonds (distance) C4'-P energy: -160.294 bonds (distance) P-C4' energy: -183.542 flat angles C4'-P-C4' energy: -191.686 flat angles P-C4'-P energy: -124.176 tors. eta vs tors. theta energy: -232.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2424.594057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.594057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.594057 (E_RNA) where: Base-Base interactions energy: -1614.042 where: short stacking energy: -667.012 Base-Backbone interact. energy: 1.253 local terms energy: -811.805712 where: bonds (distance) C4'-P energy: -175.031 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -184.060 flat angles P-C4'-P energy: -112.483 tors. eta vs tors. theta energy: -178.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2294.865465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.865465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.865465 (E_RNA) where: Base-Base interactions energy: -1501.315 where: short stacking energy: -677.341 Base-Backbone interact. energy: 2.676 local terms energy: -796.226438 where: bonds (distance) C4'-P energy: -158.258 bonds (distance) P-C4' energy: -162.318 flat angles C4'-P-C4' energy: -179.059 flat angles P-C4'-P energy: -121.190 tors. eta vs tors. theta energy: -175.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2181.368628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.368628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.368628 (E_RNA) where: Base-Base interactions energy: -1453.350 where: short stacking energy: -647.541 Base-Backbone interact. energy: -2.324 local terms energy: -725.694552 where: bonds (distance) C4'-P energy: -136.644 bonds (distance) P-C4' energy: -155.087 flat angles C4'-P-C4' energy: -164.391 flat angles P-C4'-P energy: -106.629 tors. eta vs tors. theta energy: -162.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1891.703011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.703011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.703011 (E_RNA) where: Base-Base interactions energy: -1225.115 where: short stacking energy: -516.088 Base-Backbone interact. energy: -2.786 local terms energy: -663.802210 where: bonds (distance) C4'-P energy: -135.536 bonds (distance) P-C4' energy: -132.721 flat angles C4'-P-C4' energy: -182.609 flat angles P-C4'-P energy: -97.702 tors. eta vs tors. theta energy: -115.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1433.110350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.110350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.110350 (E_RNA) where: Base-Base interactions energy: -845.335 where: short stacking energy: -406.833 Base-Backbone interact. energy: 2.584 local terms energy: -590.359496 where: bonds (distance) C4'-P energy: -141.856 bonds (distance) P-C4' energy: -146.596 flat angles C4'-P-C4' energy: -143.674 flat angles P-C4'-P energy: -99.700 tors. eta vs tors. theta energy: -58.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -839.635033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.635033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.635033 (E_RNA) where: Base-Base interactions energy: -344.232 where: short stacking energy: -233.261 Base-Backbone interact. energy: 1.701 local terms energy: -497.103801 where: bonds (distance) C4'-P energy: -139.749 bonds (distance) P-C4' energy: -175.308 flat angles C4'-P-C4' energy: -106.562 flat angles P-C4'-P energy: -64.888 tors. eta vs tors. theta energy: -10.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -765.153096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.153096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.153096 (E_RNA) where: Base-Base interactions energy: -299.027 where: short stacking energy: -201.974 Base-Backbone interact. energy: 4.957 local terms energy: -471.083364 where: bonds (distance) C4'-P energy: -163.950 bonds (distance) P-C4' energy: -139.456 flat angles C4'-P-C4' energy: -136.755 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: 9.992 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: 222 Temperature: 0.900000 Total energy: -2966.817895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.817895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.817895 (E_RNA) where: Base-Base interactions energy: -2007.972 where: short stacking energy: -875.886 Base-Backbone interact. energy: 0.579 local terms energy: -959.425346 where: bonds (distance) C4'-P energy: -179.339 bonds (distance) P-C4' energy: -185.386 flat angles C4'-P-C4' energy: -200.624 flat angles P-C4'-P energy: -138.518 tors. eta vs tors. theta energy: -255.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2892.415500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.415500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.415500 (E_RNA) where: Base-Base interactions energy: -1964.199 where: short stacking energy: -913.668 Base-Backbone interact. energy: -5.120 local terms energy: -923.096453 where: bonds (distance) C4'-P energy: -177.123 bonds (distance) P-C4' energy: -166.693 flat angles C4'-P-C4' energy: -197.933 flat angles P-C4'-P energy: -119.894 tors. eta vs tors. theta energy: -261.453 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: 222 Temperature: 1.000000 Total energy: -2778.088077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.088077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.088077 (E_RNA) where: Base-Base interactions energy: -1856.860 where: short stacking energy: -775.484 Base-Backbone interact. energy: -9.042 local terms energy: -912.185784 where: bonds (distance) C4'-P energy: -184.986 bonds (distance) P-C4' energy: -189.388 flat angles C4'-P-C4' energy: -193.249 flat angles P-C4'-P energy: -110.446 tors. eta vs tors. theta energy: -234.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2388.186074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.186074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.186074 (E_RNA) where: Base-Base interactions energy: -1565.416 where: short stacking energy: -698.767 Base-Backbone interact. energy: -4.258 local terms energy: -818.512212 where: bonds (distance) C4'-P energy: -165.370 bonds (distance) P-C4' energy: -160.968 flat angles C4'-P-C4' energy: -183.858 flat angles P-C4'-P energy: -122.367 tors. eta vs tors. theta energy: -185.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2372.421376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.421376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.421376 (E_RNA) where: Base-Base interactions energy: -1577.964 where: short stacking energy: -688.205 Base-Backbone interact. energy: 3.195 local terms energy: -797.652541 where: bonds (distance) C4'-P energy: -152.837 bonds (distance) P-C4' energy: -170.751 flat angles C4'-P-C4' energy: -189.339 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -187.117 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: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2266.107818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.107818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.107818 (E_RNA) where: Base-Base interactions energy: -1503.426 where: short stacking energy: -657.111 Base-Backbone interact. energy: 1.845 local terms energy: -764.526683 where: bonds (distance) C4'-P energy: -153.764 bonds (distance) P-C4' energy: -160.324 flat angles C4'-P-C4' energy: -168.990 flat angles P-C4'-P energy: -105.107 tors. eta vs tors. theta energy: -176.342 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: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1801.754581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.754581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.754581 (E_RNA) where: Base-Base interactions energy: -1130.341 where: short stacking energy: -518.765 Base-Backbone interact. energy: -1.414 local terms energy: -669.998715 where: bonds (distance) C4'-P energy: -145.203 bonds (distance) P-C4' energy: -159.590 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -92.618 tors. eta vs tors. theta energy: -109.607 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: 222 Temperature: 1.250000 Total energy: -1362.894113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.894113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.894113 (E_RNA) where: Base-Base interactions energy: -743.094 where: short stacking energy: -362.909 Base-Backbone interact. energy: 0.139 local terms energy: -619.939330 where: bonds (distance) C4'-P energy: -153.631 bonds (distance) P-C4' energy: -175.488 flat angles C4'-P-C4' energy: -140.952 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -55.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -862.698742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.698742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.698742 (E_RNA) where: Base-Base interactions energy: -386.529 where: short stacking energy: -255.393 Base-Backbone interact. energy: 10.751 local terms energy: -486.920938 where: bonds (distance) C4'-P energy: -160.900 bonds (distance) P-C4' energy: -155.839 flat angles C4'-P-C4' energy: -109.823 flat angles P-C4'-P energy: -71.552 tors. eta vs tors. theta energy: 11.192 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: 222 Temperature: 1.350000 Total energy: -693.981409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.981409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.981409 (E_RNA) where: Base-Base interactions energy: -221.689 where: short stacking energy: -161.357 Base-Backbone interact. energy: -0.131 local terms energy: -472.161822 where: bonds (distance) C4'-P energy: -156.741 bonds (distance) P-C4' energy: -164.157 flat angles C4'-P-C4' energy: -131.856 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: 51.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2980.860253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.860253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.860253 (E_RNA) where: Base-Base interactions energy: -1984.771 where: short stacking energy: -873.387 Base-Backbone interact. energy: -5.016 local terms energy: -991.073265 where: bonds (distance) C4'-P energy: -177.474 bonds (distance) P-C4' energy: -181.312 flat angles C4'-P-C4' energy: -224.133 flat angles P-C4'-P energy: -145.600 tors. eta vs tors. theta energy: -262.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2878.371637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.371637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.371637 (E_RNA) where: Base-Base interactions energy: -1926.815 where: short stacking energy: -868.215 Base-Backbone interact. energy: -1.293 local terms energy: -950.263350 where: bonds (distance) C4'-P energy: -179.045 bonds (distance) P-C4' energy: -167.797 flat angles C4'-P-C4' energy: -213.873 flat angles P-C4'-P energy: -124.627 tors. eta vs tors. theta energy: -264.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2794.289025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.289025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.289025 (E_RNA) where: Base-Base interactions energy: -1894.099 where: short stacking energy: -826.220 Base-Backbone interact. energy: -1.838 local terms energy: -898.352316 where: bonds (distance) C4'-P energy: -154.964 bonds (distance) P-C4' energy: -174.441 flat angles C4'-P-C4' energy: -186.926 flat angles P-C4'-P energy: -124.257 tors. eta vs tors. theta energy: -257.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2462.167713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.167713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.167713 (E_RNA) where: Base-Base interactions energy: -1604.276 where: short stacking energy: -733.034 Base-Backbone interact. energy: -0.391 local terms energy: -857.501290 where: bonds (distance) C4'-P energy: -173.888 bonds (distance) P-C4' energy: -169.901 flat angles C4'-P-C4' energy: -183.811 flat angles P-C4'-P energy: -120.875 tors. eta vs tors. theta energy: -209.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2355.836108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.836108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.836108 (E_RNA) where: Base-Base interactions energy: -1560.466 where: short stacking energy: -695.709 Base-Backbone interact. energy: -2.012 local terms energy: -793.357930 where: bonds (distance) C4'-P energy: -153.975 bonds (distance) P-C4' energy: -172.377 flat angles C4'-P-C4' energy: -171.997 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -186.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2245.671980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.671980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.671980 (E_RNA) where: Base-Base interactions energy: -1517.443 where: short stacking energy: -672.694 Base-Backbone interact. energy: 0.241 local terms energy: -728.469552 where: bonds (distance) C4'-P energy: -154.765 bonds (distance) P-C4' energy: -145.454 flat angles C4'-P-C4' energy: -147.219 flat angles P-C4'-P energy: -117.227 tors. eta vs tors. theta energy: -163.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1852.104366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.104366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.104366 (E_RNA) where: Base-Base interactions energy: -1127.058 where: short stacking energy: -541.508 Base-Backbone interact. energy: -4.948 local terms energy: -720.098401 where: bonds (distance) C4'-P energy: -137.242 bonds (distance) P-C4' energy: -152.756 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -129.310 tors. eta vs tors. theta energy: -145.436 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: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1360.998211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.998211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.998211 (E_RNA) where: Base-Base interactions energy: -796.619 where: short stacking energy: -403.145 Base-Backbone interact. energy: 3.151 local terms energy: -567.530216 where: bonds (distance) C4'-P energy: -133.552 bonds (distance) P-C4' energy: -161.493 flat angles C4'-P-C4' energy: -137.437 flat angles P-C4'-P energy: -88.572 tors. eta vs tors. theta energy: -46.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -893.747022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.747022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.747022 (E_RNA) where: Base-Base interactions energy: -377.311 where: short stacking energy: -234.602 Base-Backbone interact. energy: -1.710 local terms energy: -514.726393 where: bonds (distance) C4'-P energy: -168.893 bonds (distance) P-C4' energy: -178.828 flat angles C4'-P-C4' energy: -103.861 flat angles P-C4'-P energy: -79.688 tors. eta vs tors. theta energy: 16.544 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: 223 Temperature: 1.350000 Total energy: -704.134144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.134144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.134144 (E_RNA) where: Base-Base interactions energy: -249.804 where: short stacking energy: -179.193 Base-Backbone interact. energy: -0.965 local terms energy: -453.364356 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -134.743 flat angles C4'-P-C4' energy: -121.695 flat angles P-C4'-P energy: -79.143 tors. eta vs tors. theta energy: 34.561 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: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2956.745671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.745671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.745671 (E_RNA) where: Base-Base interactions energy: -1976.532 where: short stacking energy: -896.537 Base-Backbone interact. energy: 0.255 local terms energy: -980.468995 where: bonds (distance) C4'-P energy: -176.338 bonds (distance) P-C4' energy: -196.147 flat angles C4'-P-C4' energy: -205.584 flat angles P-C4'-P energy: -139.269 tors. eta vs tors. theta energy: -263.131 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: 224 Temperature: 0.950000 Total energy: -2960.948530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.948530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.948530 (E_RNA) where: Base-Base interactions energy: -1997.596 where: short stacking energy: -892.500 Base-Backbone interact. energy: -2.087 local terms energy: -961.265711 where: bonds (distance) C4'-P energy: -176.994 bonds (distance) P-C4' energy: -187.041 flat angles C4'-P-C4' energy: -211.872 flat angles P-C4'-P energy: -123.733 tors. eta vs tors. theta energy: -261.626 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: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2786.734428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.734428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.734428 (E_RNA) where: Base-Base interactions energy: -1888.172 where: short stacking energy: -807.115 Base-Backbone interact. energy: 1.605 local terms energy: -900.167809 where: bonds (distance) C4'-P energy: -185.560 bonds (distance) P-C4' energy: -167.585 flat angles C4'-P-C4' energy: -188.024 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -233.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2487.563527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.563527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.563527 (E_RNA) where: Base-Base interactions energy: -1637.924 where: short stacking energy: -738.270 Base-Backbone interact. energy: -0.883 local terms energy: -848.756845 where: bonds (distance) C4'-P energy: -167.523 bonds (distance) P-C4' energy: -172.984 flat angles C4'-P-C4' energy: -191.596 flat angles P-C4'-P energy: -111.517 tors. eta vs tors. theta energy: -205.137 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: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2369.178155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.178155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.178155 (E_RNA) where: Base-Base interactions energy: -1541.204 where: short stacking energy: -672.158 Base-Backbone interact. energy: 1.233 local terms energy: -829.206491 where: bonds (distance) C4'-P energy: -177.611 bonds (distance) P-C4' energy: -164.698 flat angles C4'-P-C4' energy: -180.475 flat angles P-C4'-P energy: -121.708 tors. eta vs tors. theta energy: -184.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2195.046854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.046854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.046854 (E_RNA) where: Base-Base interactions energy: -1423.893 where: short stacking energy: -612.535 Base-Backbone interact. energy: -1.860 local terms energy: -769.292997 where: bonds (distance) C4'-P energy: -146.148 bonds (distance) P-C4' energy: -162.446 flat angles C4'-P-C4' energy: -187.711 flat angles P-C4'-P energy: -106.842 tors. eta vs tors. theta energy: -166.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1874.317748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.317748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.317748 (E_RNA) where: Base-Base interactions energy: -1190.754 where: short stacking energy: -542.899 Base-Backbone interact. energy: 0.578 local terms energy: -684.141361 where: bonds (distance) C4'-P energy: -147.426 bonds (distance) P-C4' energy: -157.291 flat angles C4'-P-C4' energy: -153.400 flat angles P-C4'-P energy: -99.805 tors. eta vs tors. theta energy: -126.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1282.690147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.690147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.690147 (E_RNA) where: Base-Base interactions energy: -669.327 where: short stacking energy: -371.715 Base-Backbone interact. energy: -1.757 local terms energy: -611.605737 where: bonds (distance) C4'-P energy: -138.172 bonds (distance) P-C4' energy: -157.351 flat angles C4'-P-C4' energy: -152.856 flat angles P-C4'-P energy: -93.552 tors. eta vs tors. theta energy: -69.676 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: 224 Temperature: 1.300000 Total energy: -894.881641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.881641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.881641 (E_RNA) where: Base-Base interactions energy: -377.710 where: short stacking energy: -263.386 Base-Backbone interact. energy: 2.854 local terms energy: -520.025352 where: bonds (distance) C4'-P energy: -133.271 bonds (distance) P-C4' energy: -166.284 flat angles C4'-P-C4' energy: -124.084 flat angles P-C4'-P energy: -93.012 tors. eta vs tors. theta energy: -3.375 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: 224 Temperature: 1.350000 Total energy: -707.417369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.417369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.417369 (E_RNA) where: Base-Base interactions energy: -260.286 where: short stacking energy: -194.365 Base-Backbone interact. energy: 0.041 local terms energy: -447.172725 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -160.430 flat angles C4'-P-C4' energy: -142.793 flat angles P-C4'-P energy: -60.536 tors. eta vs tors. theta energy: 42.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3015.955166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.955166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.955166 (E_RNA) where: Base-Base interactions energy: -2034.192 where: short stacking energy: -908.041 Base-Backbone interact. energy: -4.493 local terms energy: -977.269514 where: bonds (distance) C4'-P energy: -191.942 bonds (distance) P-C4' energy: -172.676 flat angles C4'-P-C4' energy: -214.022 flat angles P-C4'-P energy: -134.644 tors. eta vs tors. theta energy: -263.986 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: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2943.932274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.932274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.932274 (E_RNA) where: Base-Base interactions energy: -2021.349 where: short stacking energy: -889.778 Base-Backbone interact. energy: -1.347 local terms energy: -921.235860 where: bonds (distance) C4'-P energy: -179.073 bonds (distance) P-C4' energy: -169.690 flat angles C4'-P-C4' energy: -199.169 flat angles P-C4'-P energy: -117.150 tors. eta vs tors. theta energy: -256.155 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: 225 Temperature: 1.000000 Total energy: -2823.214381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.214381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.214381 (E_RNA) where: Base-Base interactions energy: -1895.609 where: short stacking energy: -812.513 Base-Backbone interact. energy: -2.150 local terms energy: -925.455408 where: bonds (distance) C4'-P energy: -194.368 bonds (distance) P-C4' energy: -165.993 flat angles C4'-P-C4' energy: -204.906 flat angles P-C4'-P energy: -123.641 tors. eta vs tors. theta energy: -236.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2444.170297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.170297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.170297 (E_RNA) where: Base-Base interactions energy: -1605.832 where: short stacking energy: -717.363 Base-Backbone interact. energy: 1.291 local terms energy: -839.629303 where: bonds (distance) C4'-P energy: -170.175 bonds (distance) P-C4' energy: -169.615 flat angles C4'-P-C4' energy: -185.948 flat angles P-C4'-P energy: -112.200 tors. eta vs tors. theta energy: -201.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2333.291981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.291981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.291981 (E_RNA) where: Base-Base interactions energy: -1540.497 where: short stacking energy: -644.715 Base-Backbone interact. energy: 1.395 local terms energy: -794.189583 where: bonds (distance) C4'-P energy: -154.710 bonds (distance) P-C4' energy: -176.622 flat angles C4'-P-C4' energy: -178.257 flat angles P-C4'-P energy: -110.479 tors. eta vs tors. theta energy: -174.121 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: 225 Temperature: 1.150000 Total energy: -2180.540270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.540270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.540270 (E_RNA) where: Base-Base interactions energy: -1419.803 where: short stacking energy: -609.641 Base-Backbone interact. energy: -1.900 local terms energy: -758.837771 where: bonds (distance) C4'-P energy: -147.097 bonds (distance) P-C4' energy: -180.159 flat angles C4'-P-C4' energy: -170.094 flat angles P-C4'-P energy: -99.540 tors. eta vs tors. theta energy: -161.948 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: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1880.923992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.923992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.923992 (E_RNA) where: Base-Base interactions energy: -1199.331 where: short stacking energy: -556.085 Base-Backbone interact. energy: 4.599 local terms energy: -686.191942 where: bonds (distance) C4'-P energy: -161.357 bonds (distance) P-C4' energy: -154.665 flat angles C4'-P-C4' energy: -139.248 flat angles P-C4'-P energy: -101.484 tors. eta vs tors. theta energy: -129.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1303.182538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.182538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.182538 (E_RNA) where: Base-Base interactions energy: -743.954 where: short stacking energy: -374.726 Base-Backbone interact. energy: -2.783 local terms energy: -556.445941 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -169.104 flat angles C4'-P-C4' energy: -135.336 flat angles P-C4'-P energy: -67.175 tors. eta vs tors. theta energy: -54.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -911.487674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.487674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.487674 (E_RNA) where: Base-Base interactions energy: -445.877 where: short stacking energy: -283.522 Base-Backbone interact. energy: 0.546 local terms energy: -466.155762 where: bonds (distance) C4'-P energy: -143.322 bonds (distance) P-C4' energy: -154.119 flat angles C4'-P-C4' energy: -126.378 flat angles P-C4'-P energy: -36.435 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -729.680106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.680106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.680106 (E_RNA) where: Base-Base interactions energy: -280.845 where: short stacking energy: -203.796 Base-Backbone interact. energy: 4.315 local terms energy: -453.150219 where: bonds (distance) C4'-P energy: -135.570 bonds (distance) P-C4' energy: -139.170 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -76.729 tors. eta vs tors. theta energy: 29.714 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: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2989.286106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.286106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.286106 (E_RNA) where: Base-Base interactions energy: -2000.374 where: short stacking energy: -903.948 Base-Backbone interact. energy: -3.384 local terms energy: -985.527673 where: bonds (distance) C4'-P energy: -198.859 bonds (distance) P-C4' energy: -179.497 flat angles C4'-P-C4' energy: -200.844 flat angles P-C4'-P energy: -138.091 tors. eta vs tors. theta energy: -268.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2946.114745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.114745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.114745 (E_RNA) where: Base-Base interactions energy: -2025.629 where: short stacking energy: -864.193 Base-Backbone interact. energy: -3.846 local terms energy: -916.639199 where: bonds (distance) C4'-P energy: -170.288 bonds (distance) P-C4' energy: -179.179 flat angles C4'-P-C4' energy: -200.874 flat angles P-C4'-P energy: -115.462 tors. eta vs tors. theta energy: -250.835 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: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2797.476255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.476255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.476255 (E_RNA) where: Base-Base interactions energy: -1900.525 where: short stacking energy: -828.372 Base-Backbone interact. energy: -1.967 local terms energy: -894.983648 where: bonds (distance) C4'-P energy: -175.322 bonds (distance) P-C4' energy: -166.628 flat angles C4'-P-C4' energy: -196.505 flat angles P-C4'-P energy: -118.305 tors. eta vs tors. theta energy: -238.224 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: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2427.983377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.983377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.983377 (E_RNA) where: Base-Base interactions energy: -1586.331 where: short stacking energy: -727.369 Base-Backbone interact. energy: -0.752 local terms energy: -840.900315 where: bonds (distance) C4'-P energy: -149.569 bonds (distance) P-C4' energy: -178.876 flat angles C4'-P-C4' energy: -180.974 flat angles P-C4'-P energy: -116.656 tors. eta vs tors. theta energy: -214.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2320.883368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.883368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.883368 (E_RNA) where: Base-Base interactions energy: -1533.447 where: short stacking energy: -651.454 Base-Backbone interact. energy: 1.208 local terms energy: -788.644705 where: bonds (distance) C4'-P energy: -150.531 bonds (distance) P-C4' energy: -180.332 flat angles C4'-P-C4' energy: -170.065 flat angles P-C4'-P energy: -116.981 tors. eta vs tors. theta energy: -170.736 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: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2235.573350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.573350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.573350 (E_RNA) where: Base-Base interactions energy: -1512.749 where: short stacking energy: -640.027 Base-Backbone interact. energy: -3.233 local terms energy: -719.591126 where: bonds (distance) C4'-P energy: -140.539 bonds (distance) P-C4' energy: -139.729 flat angles C4'-P-C4' energy: -179.109 flat angles P-C4'-P energy: -112.456 tors. eta vs tors. theta energy: -147.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1849.247576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.247576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.247576 (E_RNA) where: Base-Base interactions energy: -1138.436 where: short stacking energy: -515.371 Base-Backbone interact. energy: -1.894 local terms energy: -708.917840 where: bonds (distance) C4'-P energy: -150.146 bonds (distance) P-C4' energy: -162.293 flat angles C4'-P-C4' energy: -162.768 flat angles P-C4'-P energy: -113.429 tors. eta vs tors. theta energy: -120.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1355.881933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.881933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.881933 (E_RNA) where: Base-Base interactions energy: -771.505 where: short stacking energy: -378.228 Base-Backbone interact. energy: 3.609 local terms energy: -587.985790 where: bonds (distance) C4'-P energy: -145.036 bonds (distance) P-C4' energy: -161.800 flat angles C4'-P-C4' energy: -148.557 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -52.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -985.411193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.411193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.411193 (E_RNA) where: Base-Base interactions energy: -464.264 where: short stacking energy: -296.224 Base-Backbone interact. energy: 2.432 local terms energy: -523.578382 where: bonds (distance) C4'-P energy: -149.167 bonds (distance) P-C4' energy: -163.372 flat angles C4'-P-C4' energy: -136.340 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -7.824 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: 226 Temperature: 1.350000 Total energy: -714.025612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.025612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.025612 (E_RNA) where: Base-Base interactions energy: -249.697 where: short stacking energy: -187.824 Base-Backbone interact. energy: -1.424 local terms energy: -462.904947 where: bonds (distance) C4'-P energy: -139.733 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -129.766 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: 16.951 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: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3014.862913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.862913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.862913 (E_RNA) where: Base-Base interactions energy: -2036.003 where: short stacking energy: -917.230 Base-Backbone interact. energy: -0.448 local terms energy: -978.411880 where: bonds (distance) C4'-P energy: -184.228 bonds (distance) P-C4' energy: -172.734 flat angles C4'-P-C4' energy: -200.219 flat angles P-C4'-P energy: -150.148 tors. eta vs tors. theta energy: -271.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2902.869526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.869526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.869526 (E_RNA) where: Base-Base interactions energy: -1940.891 where: short stacking energy: -846.901 Base-Backbone interact. energy: -2.903 local terms energy: -959.075526 where: bonds (distance) C4'-P energy: -191.550 bonds (distance) P-C4' energy: -192.614 flat angles C4'-P-C4' energy: -208.788 flat angles P-C4'-P energy: -110.212 tors. eta vs tors. theta energy: -255.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2809.863469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.863469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.863469 (E_RNA) where: Base-Base interactions energy: -1904.493 where: short stacking energy: -813.627 Base-Backbone interact. energy: -2.894 local terms energy: -902.475759 where: bonds (distance) C4'-P energy: -166.710 bonds (distance) P-C4' energy: -160.665 flat angles C4'-P-C4' energy: -197.917 flat angles P-C4'-P energy: -131.030 tors. eta vs tors. theta energy: -246.153 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: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2471.717357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.717357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.717357 (E_RNA) where: Base-Base interactions energy: -1608.664 where: short stacking energy: -731.904 Base-Backbone interact. energy: -1.665 local terms energy: -861.388646 where: bonds (distance) C4'-P energy: -176.208 bonds (distance) P-C4' energy: -176.846 flat angles C4'-P-C4' energy: -183.972 flat angles P-C4'-P energy: -111.806 tors. eta vs tors. theta energy: -212.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2358.644751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.644751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.644751 (E_RNA) where: Base-Base interactions energy: -1543.918 where: short stacking energy: -649.334 Base-Backbone interact. energy: -2.745 local terms energy: -811.981378 where: bonds (distance) C4'-P energy: -150.889 bonds (distance) P-C4' energy: -164.711 flat angles C4'-P-C4' energy: -192.783 flat angles P-C4'-P energy: -117.558 tors. eta vs tors. theta energy: -186.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2193.228776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.228776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.228776 (E_RNA) where: Base-Base interactions energy: -1413.913 where: short stacking energy: -606.948 Base-Backbone interact. energy: -2.079 local terms energy: -777.236285 where: bonds (distance) C4'-P energy: -164.080 bonds (distance) P-C4' energy: -184.633 flat angles C4'-P-C4' energy: -174.682 flat angles P-C4'-P energy: -104.533 tors. eta vs tors. theta energy: -149.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1786.823774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.823774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.823774 (E_RNA) where: Base-Base interactions energy: -1099.697 where: short stacking energy: -492.160 Base-Backbone interact. energy: -3.228 local terms energy: -683.898169 where: bonds (distance) C4'-P energy: -136.661 bonds (distance) P-C4' energy: -169.175 flat angles C4'-P-C4' energy: -170.723 flat angles P-C4'-P energy: -102.843 tors. eta vs tors. theta energy: -104.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1302.004409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.004409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.004409 (E_RNA) where: Base-Base interactions energy: -737.397 where: short stacking energy: -355.344 Base-Backbone interact. energy: 5.185 local terms energy: -569.791901 where: bonds (distance) C4'-P energy: -163.580 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -128.395 flat angles P-C4'-P energy: -90.862 tors. eta vs tors. theta energy: -30.125 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: 227 Temperature: 1.300000 Total energy: -1056.811593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.811593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.811593 (E_RNA) where: Base-Base interactions energy: -514.618 where: short stacking energy: -269.460 Base-Backbone interact. energy: -5.453 local terms energy: -536.740795 where: bonds (distance) C4'-P energy: -155.243 bonds (distance) P-C4' energy: -164.561 flat angles C4'-P-C4' energy: -135.206 flat angles P-C4'-P energy: -89.211 tors. eta vs tors. theta energy: 7.481 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: 227 Temperature: 1.350000 Total energy: -655.009055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.009055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.009055 (E_RNA) where: Base-Base interactions energy: -204.286 where: short stacking energy: -169.158 Base-Backbone interact. energy: -1.351 local terms energy: -449.372665 where: bonds (distance) C4'-P energy: -145.723 bonds (distance) P-C4' energy: -163.795 flat angles C4'-P-C4' energy: -130.799 flat angles P-C4'-P energy: -57.487 tors. eta vs tors. theta energy: 48.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2958.524729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.524729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.524729 (E_RNA) where: Base-Base interactions energy: -1981.976 where: short stacking energy: -918.168 Base-Backbone interact. energy: -3.729 local terms energy: -972.819637 where: bonds (distance) C4'-P energy: -183.161 bonds (distance) P-C4' energy: -173.881 flat angles C4'-P-C4' energy: -212.321 flat angles P-C4'-P energy: -126.118 tors. eta vs tors. theta energy: -277.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2913.450057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.450057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.450057 (E_RNA) where: Base-Base interactions energy: -1975.568 where: short stacking energy: -879.786 Base-Backbone interact. energy: -4.710 local terms energy: -933.171939 where: bonds (distance) C4'-P energy: -167.750 bonds (distance) P-C4' energy: -179.610 flat angles C4'-P-C4' energy: -202.950 flat angles P-C4'-P energy: -117.238 tors. eta vs tors. theta energy: -265.625 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: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2775.381545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.381545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.381545 (E_RNA) where: Base-Base interactions energy: -1863.451 where: short stacking energy: -791.834 Base-Backbone interact. energy: -3.774 local terms energy: -908.156607 where: bonds (distance) C4'-P energy: -174.277 bonds (distance) P-C4' energy: -165.076 flat angles C4'-P-C4' energy: -207.804 flat angles P-C4'-P energy: -124.082 tors. eta vs tors. theta energy: -236.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2453.141867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.141867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.141867 (E_RNA) where: Base-Base interactions energy: -1601.867 where: short stacking energy: -753.523 Base-Backbone interact. energy: -3.522 local terms energy: -847.752950 where: bonds (distance) C4'-P energy: -167.452 bonds (distance) P-C4' energy: -157.747 flat angles C4'-P-C4' energy: -179.301 flat angles P-C4'-P energy: -126.597 tors. eta vs tors. theta energy: -216.656 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: 228 Temperature: 1.100000 Total energy: -2350.525175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.525175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.525175 (E_RNA) where: Base-Base interactions energy: -1559.376 where: short stacking energy: -680.466 Base-Backbone interact. energy: 3.948 local terms energy: -795.097707 where: bonds (distance) C4'-P energy: -162.471 bonds (distance) P-C4' energy: -174.515 flat angles C4'-P-C4' energy: -157.517 flat angles P-C4'-P energy: -115.994 tors. eta vs tors. theta energy: -184.602 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: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2174.673606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.673606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.673606 (E_RNA) where: Base-Base interactions energy: -1454.476 where: short stacking energy: -638.549 Base-Backbone interact. energy: 4.707 local terms energy: -724.904664 where: bonds (distance) C4'-P energy: -146.538 bonds (distance) P-C4' energy: -159.708 flat angles C4'-P-C4' energy: -168.414 flat angles P-C4'-P energy: -101.097 tors. eta vs tors. theta energy: -149.148 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: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1730.332544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.332544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.332544 (E_RNA) where: Base-Base interactions energy: -1081.851 where: short stacking energy: -498.342 Base-Backbone interact. energy: -0.733 local terms energy: -647.747907 where: bonds (distance) C4'-P energy: -168.562 bonds (distance) P-C4' energy: -152.332 flat angles C4'-P-C4' energy: -146.548 flat angles P-C4'-P energy: -75.609 tors. eta vs tors. theta energy: -104.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1321.284498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.284498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.284498 (E_RNA) where: Base-Base interactions energy: -742.080 where: short stacking energy: -363.377 Base-Backbone interact. energy: 3.606 local terms energy: -582.810054 where: bonds (distance) C4'-P energy: -147.653 bonds (distance) P-C4' energy: -173.996 flat angles C4'-P-C4' energy: -133.949 flat angles P-C4'-P energy: -78.803 tors. eta vs tors. theta energy: -48.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1092.806770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.806770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.806770 (E_RNA) where: Base-Base interactions energy: -569.846 where: short stacking energy: -307.745 Base-Backbone interact. energy: -0.889 local terms energy: -522.071625 where: bonds (distance) C4'-P energy: -148.465 bonds (distance) P-C4' energy: -159.122 flat angles C4'-P-C4' energy: -118.771 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -19.186 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: 10, replica: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -655.726685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.726685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.726685 (E_RNA) where: Base-Base interactions energy: -229.232 where: short stacking energy: -163.015 Base-Backbone interact. energy: 5.887 local terms energy: -432.381467 where: bonds (distance) C4'-P energy: -149.743 bonds (distance) P-C4' energy: -152.911 flat angles C4'-P-C4' energy: -130.990 flat angles P-C4'-P energy: -60.555 tors. eta vs tors. theta energy: 61.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2973.729314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.729314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.729314 (E_RNA) where: Base-Base interactions energy: -1979.648 where: short stacking energy: -878.486 Base-Backbone interact. energy: 4.545 local terms energy: -998.626197 where: bonds (distance) C4'-P energy: -188.338 bonds (distance) P-C4' energy: -197.377 flat angles C4'-P-C4' energy: -216.036 flat angles P-C4'-P energy: -136.416 tors. eta vs tors. theta energy: -260.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2879.184182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.184182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.184182 (E_RNA) where: Base-Base interactions energy: -1993.106 where: short stacking energy: -865.310 Base-Backbone interact. energy: -1.407 local terms energy: -884.671757 where: bonds (distance) C4'-P energy: -170.090 bonds (distance) P-C4' energy: -164.127 flat angles C4'-P-C4' energy: -197.731 flat angles P-C4'-P energy: -121.686 tors. eta vs tors. theta energy: -231.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2784.480039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.480039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.480039 (E_RNA) where: Base-Base interactions energy: -1897.369 where: short stacking energy: -833.686 Base-Backbone interact. energy: -5.065 local terms energy: -882.045456 where: bonds (distance) C4'-P energy: -156.902 bonds (distance) P-C4' energy: -176.254 flat angles C4'-P-C4' energy: -195.043 flat angles P-C4'-P energy: -123.929 tors. eta vs tors. theta energy: -229.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2534.871753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.871753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.871753 (E_RNA) where: Base-Base interactions energy: -1721.077 where: short stacking energy: -758.617 Base-Backbone interact. energy: -4.801 local terms energy: -808.994008 where: bonds (distance) C4'-P energy: -165.802 bonds (distance) P-C4' energy: -160.060 flat angles C4'-P-C4' energy: -185.865 flat angles P-C4'-P energy: -94.525 tors. eta vs tors. theta energy: -202.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2365.656894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.656894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.656894 (E_RNA) where: Base-Base interactions energy: -1594.168 where: short stacking energy: -676.446 Base-Backbone interact. energy: -0.859 local terms energy: -770.629354 where: bonds (distance) C4'-P energy: -151.559 bonds (distance) P-C4' energy: -162.175 flat angles C4'-P-C4' energy: -171.322 flat angles P-C4'-P energy: -105.187 tors. eta vs tors. theta energy: -180.386 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: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2158.380509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.380509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.380509 (E_RNA) where: Base-Base interactions energy: -1408.718 where: short stacking energy: -599.636 Base-Backbone interact. energy: -1.460 local terms energy: -748.202103 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -164.284 flat angles C4'-P-C4' energy: -173.382 flat angles P-C4'-P energy: -116.613 tors. eta vs tors. theta energy: -138.441 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: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1732.255291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.255291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.255291 (E_RNA) where: Base-Base interactions energy: -1101.088 where: short stacking energy: -524.324 Base-Backbone interact. energy: -1.828 local terms energy: -629.339507 where: bonds (distance) C4'-P energy: -138.143 bonds (distance) P-C4' energy: -132.704 flat angles C4'-P-C4' energy: -144.178 flat angles P-C4'-P energy: -98.095 tors. eta vs tors. theta energy: -116.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1340.193106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.193106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.193106 (E_RNA) where: Base-Base interactions energy: -751.192 where: short stacking energy: -372.239 Base-Backbone interact. energy: -0.865 local terms energy: -588.136055 where: bonds (distance) C4'-P energy: -134.302 bonds (distance) P-C4' energy: -171.536 flat angles C4'-P-C4' energy: -136.294 flat angles P-C4'-P energy: -86.968 tors. eta vs tors. theta energy: -59.035 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: 229 Temperature: 1.300000 Total energy: -1117.017600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.017600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.017600 (E_RNA) where: Base-Base interactions energy: -588.964 where: short stacking energy: -331.667 Base-Backbone interact. energy: 8.699 local terms energy: -536.752427 where: bonds (distance) C4'-P energy: -158.996 bonds (distance) P-C4' energy: -144.179 flat angles C4'-P-C4' energy: -122.341 flat angles P-C4'-P energy: -79.968 tors. eta vs tors. theta energy: -31.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -650.568020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.568020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.568020 (E_RNA) where: Base-Base interactions energy: -225.501 where: short stacking energy: -195.377 Base-Backbone interact. energy: -3.701 local terms energy: -421.365797 where: bonds (distance) C4'-P energy: -135.843 bonds (distance) P-C4' energy: -138.435 flat angles C4'-P-C4' energy: -122.330 flat angles P-C4'-P energy: -66.176 tors. eta vs tors. theta energy: 41.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2972.601928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.601928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.601928 (E_RNA) where: Base-Base interactions energy: -2012.166 where: short stacking energy: -924.710 Base-Backbone interact. energy: -6.486 local terms energy: -953.949707 where: bonds (distance) C4'-P energy: -160.614 bonds (distance) P-C4' energy: -179.364 flat angles C4'-P-C4' energy: -209.729 flat angles P-C4'-P energy: -136.902 tors. eta vs tors. theta energy: -267.341 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2939.749776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.749776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.749776 (E_RNA) where: Base-Base interactions energy: -2037.346 where: short stacking energy: -868.216 Base-Backbone interact. energy: 2.566 local terms energy: -904.970142 where: bonds (distance) C4'-P energy: -166.975 bonds (distance) P-C4' energy: -180.864 flat angles C4'-P-C4' energy: -196.505 flat angles P-C4'-P energy: -119.268 tors. eta vs tors. theta energy: -241.358 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: 230 Temperature: 1.000000 Total energy: -2821.921753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.921753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.921753 (E_RNA) where: Base-Base interactions energy: -1872.190 where: short stacking energy: -801.668 Base-Backbone interact. energy: 0.382 local terms energy: -950.113642 where: bonds (distance) C4'-P energy: -193.710 bonds (distance) P-C4' energy: -167.858 flat angles C4'-P-C4' energy: -204.517 flat angles P-C4'-P energy: -134.325 tors. eta vs tors. theta energy: -249.705 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: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2510.145907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.145907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.145907 (E_RNA) where: Base-Base interactions energy: -1657.656 where: short stacking energy: -724.868 Base-Backbone interact. energy: 0.481 local terms energy: -852.971310 where: bonds (distance) C4'-P energy: -169.259 bonds (distance) P-C4' energy: -158.227 flat angles C4'-P-C4' energy: -191.395 flat angles P-C4'-P energy: -125.424 tors. eta vs tors. theta energy: -208.666 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: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2289.730128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.730128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.730128 (E_RNA) where: Base-Base interactions energy: -1481.155 where: short stacking energy: -655.809 Base-Backbone interact. energy: -2.016 local terms energy: -806.559101 where: bonds (distance) C4'-P energy: -160.397 bonds (distance) P-C4' energy: -177.107 flat angles C4'-P-C4' energy: -179.964 flat angles P-C4'-P energy: -109.742 tors. eta vs tors. theta energy: -179.349 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: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2116.610869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.610869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.610869 (E_RNA) where: Base-Base interactions energy: -1387.141 where: short stacking energy: -607.124 Base-Backbone interact. energy: 0.820 local terms energy: -730.289481 where: bonds (distance) C4'-P energy: -174.224 bonds (distance) P-C4' energy: -156.452 flat angles C4'-P-C4' energy: -154.785 flat angles P-C4'-P energy: -100.452 tors. eta vs tors. theta energy: -144.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1655.978278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.978278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.978278 (E_RNA) where: Base-Base interactions energy: -1022.680 where: short stacking energy: -480.977 Base-Backbone interact. energy: -1.410 local terms energy: -631.888315 where: bonds (distance) C4'-P energy: -147.463 bonds (distance) P-C4' energy: -149.089 flat angles C4'-P-C4' energy: -144.138 flat angles P-C4'-P energy: -108.566 tors. eta vs tors. theta energy: -82.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1334.876618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.876618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.876618 (E_RNA) where: Base-Base interactions energy: -749.839 where: short stacking energy: -386.988 Base-Backbone interact. energy: 1.821 local terms energy: -586.859234 where: bonds (distance) C4'-P energy: -171.503 bonds (distance) P-C4' energy: -162.677 flat angles C4'-P-C4' energy: -143.535 flat angles P-C4'-P energy: -53.481 tors. eta vs tors. theta energy: -55.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1004.277179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.277179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.277179 (E_RNA) where: Base-Base interactions energy: -512.788 where: short stacking energy: -276.457 Base-Backbone interact. energy: -2.218 local terms energy: -489.270963 where: bonds (distance) C4'-P energy: -148.744 bonds (distance) P-C4' energy: -150.439 flat angles C4'-P-C4' energy: -113.481 flat angles P-C4'-P energy: -78.665 tors. eta vs tors. theta energy: 2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -658.949244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.949244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.949244 (E_RNA) where: Base-Base interactions energy: -245.980 where: short stacking energy: -202.985 Base-Backbone interact. energy: 11.938 local terms energy: -424.907114 where: bonds (distance) C4'-P energy: -163.198 bonds (distance) P-C4' energy: -155.034 flat angles C4'-P-C4' energy: -79.804 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: 41.243 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: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3034.620009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.620009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.620009 (E_RNA) where: Base-Base interactions energy: -2013.449 where: short stacking energy: -929.560 Base-Backbone interact. energy: -0.652 local terms energy: -1020.518408 where: bonds (distance) C4'-P energy: -196.915 bonds (distance) P-C4' energy: -185.279 flat angles C4'-P-C4' energy: -227.223 flat angles P-C4'-P energy: -127.551 tors. eta vs tors. theta energy: -283.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2919.093653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.093653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.093653 (E_RNA) where: Base-Base interactions energy: -2023.691 where: short stacking energy: -884.743 Base-Backbone interact. energy: -3.459 local terms energy: -891.944024 where: bonds (distance) C4'-P energy: -154.401 bonds (distance) P-C4' energy: -173.445 flat angles C4'-P-C4' energy: -200.429 flat angles P-C4'-P energy: -114.001 tors. eta vs tors. theta energy: -249.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2810.473672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.473672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.473672 (E_RNA) where: Base-Base interactions energy: -1894.878 where: short stacking energy: -840.796 Base-Backbone interact. energy: 6.895 local terms energy: -922.490510 where: bonds (distance) C4'-P energy: -168.688 bonds (distance) P-C4' energy: -189.270 flat angles C4'-P-C4' energy: -205.359 flat angles P-C4'-P energy: -121.074 tors. eta vs tors. theta energy: -238.100 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: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2504.950366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.950366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.950366 (E_RNA) where: Base-Base interactions energy: -1623.966 where: short stacking energy: -736.507 Base-Backbone interact. energy: -3.551 local terms energy: -877.433570 where: bonds (distance) C4'-P energy: -179.976 bonds (distance) P-C4' energy: -175.110 flat angles C4'-P-C4' energy: -190.137 flat angles P-C4'-P energy: -110.635 tors. eta vs tors. theta energy: -221.575 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: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2263.917389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.917389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.917389 (E_RNA) where: Base-Base interactions energy: -1486.243 where: short stacking energy: -676.639 Base-Backbone interact. energy: 2.236 local terms energy: -779.910004 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -145.498 flat angles C4'-P-C4' energy: -172.246 flat angles P-C4'-P energy: -126.677 tors. eta vs tors. theta energy: -180.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2144.256223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.256223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.256223 (E_RNA) where: Base-Base interactions energy: -1409.454 where: short stacking energy: -613.642 Base-Backbone interact. energy: 1.097 local terms energy: -735.898439 where: bonds (distance) C4'-P energy: -155.595 bonds (distance) P-C4' energy: -162.205 flat angles C4'-P-C4' energy: -170.337 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -148.469 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: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1626.870899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.870899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.870899 (E_RNA) where: Base-Base interactions energy: -999.906 where: short stacking energy: -452.833 Base-Backbone interact. energy: 1.899 local terms energy: -628.863207 where: bonds (distance) C4'-P energy: -168.980 bonds (distance) P-C4' energy: -151.254 flat angles C4'-P-C4' energy: -151.713 flat angles P-C4'-P energy: -84.063 tors. eta vs tors. theta energy: -72.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1360.975727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.975727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.975727 (E_RNA) where: Base-Base interactions energy: -801.718 where: short stacking energy: -392.675 Base-Backbone interact. energy: -0.235 local terms energy: -559.022695 where: bonds (distance) C4'-P energy: -138.640 bonds (distance) P-C4' energy: -142.095 flat angles C4'-P-C4' energy: -144.264 flat angles P-C4'-P energy: -96.080 tors. eta vs tors. theta energy: -37.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -919.227024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.227024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.227024 (E_RNA) where: Base-Base interactions energy: -397.248 where: short stacking energy: -253.449 Base-Backbone interact. energy: 7.953 local terms energy: -529.931848 where: bonds (distance) C4'-P energy: -150.919 bonds (distance) P-C4' energy: -161.049 flat angles C4'-P-C4' energy: -118.596 flat angles P-C4'-P energy: -94.093 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -674.161543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.161543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.161543 (E_RNA) where: Base-Base interactions energy: -231.093 where: short stacking energy: -167.550 Base-Backbone interact. energy: -2.125 local terms energy: -440.943377 where: bonds (distance) C4'-P energy: -134.669 bonds (distance) P-C4' energy: -164.544 flat angles C4'-P-C4' energy: -98.158 flat angles P-C4'-P energy: -82.507 tors. eta vs tors. theta energy: 38.934 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: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3008.349348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.349348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.349348 (E_RNA) where: Base-Base interactions energy: -2023.349 where: short stacking energy: -943.551 Base-Backbone interact. energy: 1.441 local terms energy: -986.442286 where: bonds (distance) C4'-P energy: -179.894 bonds (distance) P-C4' energy: -188.145 flat angles C4'-P-C4' energy: -216.805 flat angles P-C4'-P energy: -125.838 tors. eta vs tors. theta energy: -275.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2915.276288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.276288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.276288 (E_RNA) where: Base-Base interactions energy: -1984.073 where: short stacking energy: -878.408 Base-Backbone interact. energy: -4.819 local terms energy: -926.384949 where: bonds (distance) C4'-P energy: -169.672 bonds (distance) P-C4' energy: -176.906 flat angles C4'-P-C4' energy: -205.512 flat angles P-C4'-P energy: -112.561 tors. eta vs tors. theta energy: -261.733 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: 232 Temperature: 1.000000 Total energy: -2838.499208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.499208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.499208 (E_RNA) where: Base-Base interactions energy: -1927.951 where: short stacking energy: -854.413 Base-Backbone interact. energy: -8.816 local terms energy: -901.731763 where: bonds (distance) C4'-P energy: -176.670 bonds (distance) P-C4' energy: -168.396 flat angles C4'-P-C4' energy: -181.587 flat angles P-C4'-P energy: -122.881 tors. eta vs tors. theta energy: -252.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2435.872687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.872687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.872687 (E_RNA) where: Base-Base interactions energy: -1601.974 where: short stacking energy: -703.243 Base-Backbone interact. energy: 2.234 local terms energy: -836.133267 where: bonds (distance) C4'-P energy: -163.398 bonds (distance) P-C4' energy: -166.810 flat angles C4'-P-C4' energy: -185.188 flat angles P-C4'-P energy: -116.483 tors. eta vs tors. theta energy: -204.255 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: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2283.626752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.626752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.626752 (E_RNA) where: Base-Base interactions energy: -1502.689 where: short stacking energy: -660.032 Base-Backbone interact. energy: -0.134 local terms energy: -780.803694 where: bonds (distance) C4'-P energy: -172.179 bonds (distance) P-C4' energy: -166.314 flat angles C4'-P-C4' energy: -174.670 flat angles P-C4'-P energy: -106.610 tors. eta vs tors. theta energy: -161.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2206.633273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.633273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.633273 (E_RNA) where: Base-Base interactions energy: -1453.411 where: short stacking energy: -624.510 Base-Backbone interact. energy: -1.954 local terms energy: -751.268449 where: bonds (distance) C4'-P energy: -150.842 bonds (distance) P-C4' energy: -164.806 flat angles C4'-P-C4' energy: -162.788 flat angles P-C4'-P energy: -125.051 tors. eta vs tors. theta energy: -147.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1721.335089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.335089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.335089 (E_RNA) where: Base-Base interactions energy: -1059.648 where: short stacking energy: -473.302 Base-Backbone interact. energy: 2.894 local terms energy: -664.580854 where: bonds (distance) C4'-P energy: -150.243 bonds (distance) P-C4' energy: -164.560 flat angles C4'-P-C4' energy: -156.283 flat angles P-C4'-P energy: -100.681 tors. eta vs tors. theta energy: -92.813 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: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1372.474561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.474561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.474561 (E_RNA) where: Base-Base interactions energy: -775.535 where: short stacking energy: -397.890 Base-Backbone interact. energy: 6.896 local terms energy: -603.835072 where: bonds (distance) C4'-P energy: -150.624 bonds (distance) P-C4' energy: -165.954 flat angles C4'-P-C4' energy: -149.974 flat angles P-C4'-P energy: -84.673 tors. eta vs tors. theta energy: -52.611 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: 232 Temperature: 1.300000 Total energy: -964.590434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.590434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.590434 (E_RNA) where: Base-Base interactions energy: -485.809 where: short stacking energy: -301.437 Base-Backbone interact. energy: 1.681 local terms energy: -480.462396 where: bonds (distance) C4'-P energy: -141.377 bonds (distance) P-C4' energy: -145.571 flat angles C4'-P-C4' energy: -125.189 flat angles P-C4'-P energy: -50.988 tors. eta vs tors. theta energy: -17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -680.869519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.869519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.869519 (E_RNA) where: Base-Base interactions energy: -224.398 where: short stacking energy: -191.627 Base-Backbone interact. energy: 9.185 local terms energy: -465.656921 where: bonds (distance) C4'-P energy: -132.655 bonds (distance) P-C4' energy: -172.672 flat angles C4'-P-C4' energy: -121.663 flat angles P-C4'-P energy: -58.678 tors. eta vs tors. theta energy: 20.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3022.748550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.748550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.748550 (E_RNA) where: Base-Base interactions energy: -2025.758 where: short stacking energy: -919.240 Base-Backbone interact. energy: -3.176 local terms energy: -993.814880 where: bonds (distance) C4'-P energy: -186.827 bonds (distance) P-C4' energy: -184.575 flat angles C4'-P-C4' energy: -209.360 flat angles P-C4'-P energy: -139.645 tors. eta vs tors. theta energy: -273.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2890.390006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.390006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.390006 (E_RNA) where: Base-Base interactions energy: -1971.696 where: short stacking energy: -863.158 Base-Backbone interact. energy: -4.963 local terms energy: -913.730578 where: bonds (distance) C4'-P energy: -176.711 bonds (distance) P-C4' energy: -185.102 flat angles C4'-P-C4' energy: -196.924 flat angles P-C4'-P energy: -108.938 tors. eta vs tors. theta energy: -246.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2841.534732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.534732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.534732 (E_RNA) where: Base-Base interactions energy: -1954.536 where: short stacking energy: -839.458 Base-Backbone interact. energy: -7.253 local terms energy: -879.745601 where: bonds (distance) C4'-P energy: -178.192 bonds (distance) P-C4' energy: -153.131 flat angles C4'-P-C4' energy: -188.195 flat angles P-C4'-P energy: -119.076 tors. eta vs tors. theta energy: -241.152 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: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2503.319656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.319656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.319656 (E_RNA) where: Base-Base interactions energy: -1653.937 where: short stacking energy: -761.760 Base-Backbone interact. energy: -4.710 local terms energy: -844.672613 where: bonds (distance) C4'-P energy: -161.399 bonds (distance) P-C4' energy: -159.166 flat angles C4'-P-C4' energy: -188.596 flat angles P-C4'-P energy: -112.466 tors. eta vs tors. theta energy: -223.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2341.125878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.125878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.125878 (E_RNA) where: Base-Base interactions energy: -1534.601 where: short stacking energy: -657.246 Base-Backbone interact. energy: -0.975 local terms energy: -805.549447 where: bonds (distance) C4'-P energy: -162.059 bonds (distance) P-C4' energy: -157.544 flat angles C4'-P-C4' energy: -164.487 flat angles P-C4'-P energy: -136.411 tors. eta vs tors. theta energy: -185.049 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: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2165.563467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.563467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.563467 (E_RNA) where: Base-Base interactions energy: -1396.558 where: short stacking energy: -622.005 Base-Backbone interact. energy: -2.220 local terms energy: -766.785322 where: bonds (distance) C4'-P energy: -144.944 bonds (distance) P-C4' energy: -158.521 flat angles C4'-P-C4' energy: -196.941 flat angles P-C4'-P energy: -112.534 tors. eta vs tors. theta energy: -153.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1740.706463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.706463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.706463 (E_RNA) where: Base-Base interactions energy: -1111.019 where: short stacking energy: -472.015 Base-Backbone interact. energy: 0.219 local terms energy: -629.905843 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -161.909 flat angles C4'-P-C4' energy: -172.396 flat angles P-C4'-P energy: -87.282 tors. eta vs tors. theta energy: -71.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1310.593289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.593289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.593289 (E_RNA) where: Base-Base interactions energy: -745.195 where: short stacking energy: -375.133 Base-Backbone interact. energy: -2.608 local terms energy: -562.790166 where: bonds (distance) C4'-P energy: -159.693 bonds (distance) P-C4' energy: -144.300 flat angles C4'-P-C4' energy: -152.591 flat angles P-C4'-P energy: -72.733 tors. eta vs tors. theta energy: -33.473 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: 233 Temperature: 1.300000 Total energy: -1027.024698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.024698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.024698 (E_RNA) where: Base-Base interactions energy: -514.056 where: short stacking energy: -277.574 Base-Backbone interact. energy: 1.359 local terms energy: -514.328272 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -152.754 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -82.537 tors. eta vs tors. theta energy: 4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -676.807243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.807243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.807243 (E_RNA) where: Base-Base interactions energy: -228.242 where: short stacking energy: -167.052 Base-Backbone interact. energy: -1.263 local terms energy: -447.302227 where: bonds (distance) C4'-P energy: -147.458 bonds (distance) P-C4' energy: -156.535 flat angles C4'-P-C4' energy: -122.241 flat angles P-C4'-P energy: -61.350 tors. eta vs tors. theta energy: 40.282 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: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3017.739115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.739115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.739115 (E_RNA) where: Base-Base interactions energy: -2030.964 where: short stacking energy: -920.766 Base-Backbone interact. energy: -7.053 local terms energy: -979.722112 where: bonds (distance) C4'-P energy: -201.140 bonds (distance) P-C4' energy: -168.484 flat angles C4'-P-C4' energy: -206.208 flat angles P-C4'-P energy: -126.273 tors. eta vs tors. theta energy: -277.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2868.001651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.001651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.001651 (E_RNA) where: Base-Base interactions energy: -1931.627 where: short stacking energy: -846.066 Base-Backbone interact. energy: -4.927 local terms energy: -931.447622 where: bonds (distance) C4'-P energy: -174.114 bonds (distance) P-C4' energy: -188.372 flat angles C4'-P-C4' energy: -187.405 flat angles P-C4'-P energy: -129.194 tors. eta vs tors. theta energy: -252.362 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: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2858.350141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.350141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.350141 (E_RNA) where: Base-Base interactions energy: -1950.751 where: short stacking energy: -817.975 Base-Backbone interact. energy: -5.776 local terms energy: -901.823051 where: bonds (distance) C4'-P energy: -161.511 bonds (distance) P-C4' energy: -185.022 flat angles C4'-P-C4' energy: -195.751 flat angles P-C4'-P energy: -103.942 tors. eta vs tors. theta energy: -255.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2450.439850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.439850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.439850 (E_RNA) where: Base-Base interactions energy: -1611.470 where: short stacking energy: -728.579 Base-Backbone interact. energy: 0.835 local terms energy: -839.805597 where: bonds (distance) C4'-P energy: -156.921 bonds (distance) P-C4' energy: -186.783 flat angles C4'-P-C4' energy: -190.855 flat angles P-C4'-P energy: -108.791 tors. eta vs tors. theta energy: -196.456 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: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2430.609533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.609533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.609533 (E_RNA) where: Base-Base interactions energy: -1635.031 where: short stacking energy: -692.219 Base-Backbone interact. energy: -2.839 local terms energy: -792.739375 where: bonds (distance) C4'-P energy: -152.815 bonds (distance) P-C4' energy: -160.017 flat angles C4'-P-C4' energy: -179.532 flat angles P-C4'-P energy: -102.543 tors. eta vs tors. theta energy: -197.832 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: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2142.868542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.868542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.868542 (E_RNA) where: Base-Base interactions energy: -1414.425 where: short stacking energy: -584.921 Base-Backbone interact. energy: -0.771 local terms energy: -727.672255 where: bonds (distance) C4'-P energy: -166.049 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -153.565 flat angles P-C4'-P energy: -111.154 tors. eta vs tors. theta energy: -146.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1725.383435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.383435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.383435 (E_RNA) where: Base-Base interactions energy: -1055.630 where: short stacking energy: -477.806 Base-Backbone interact. energy: 2.365 local terms energy: -672.117948 where: bonds (distance) C4'-P energy: -165.371 bonds (distance) P-C4' energy: -153.708 flat angles C4'-P-C4' energy: -139.890 flat angles P-C4'-P energy: -112.993 tors. eta vs tors. theta energy: -100.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1317.245103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.245103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.245103 (E_RNA) where: Base-Base interactions energy: -742.864 where: short stacking energy: -333.466 Base-Backbone interact. energy: -3.783 local terms energy: -570.598527 where: bonds (distance) C4'-P energy: -135.877 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -148.411 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -38.307 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: 234 Temperature: 1.300000 Total energy: -1029.509658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.509658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.509658 (E_RNA) where: Base-Base interactions energy: -538.480 where: short stacking energy: -314.906 Base-Backbone interact. energy: 9.644 local terms energy: -500.674222 where: bonds (distance) C4'-P energy: -133.277 bonds (distance) P-C4' energy: -123.770 flat angles C4'-P-C4' energy: -144.145 flat angles P-C4'-P energy: -85.197 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: 234 Temperature: 1.350000 Total energy: -650.793599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.793599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.793599 (E_RNA) where: Base-Base interactions energy: -226.086 where: short stacking energy: -199.905 Base-Backbone interact. energy: 2.774 local terms energy: -427.481560 where: bonds (distance) C4'-P energy: -144.642 bonds (distance) P-C4' energy: -144.124 flat angles C4'-P-C4' energy: -127.319 flat angles P-C4'-P energy: -62.337 tors. eta vs tors. theta energy: 50.940 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: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2971.334163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.334163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.334163 (E_RNA) where: Base-Base interactions energy: -1981.726 where: short stacking energy: -922.546 Base-Backbone interact. energy: 0.244 local terms energy: -989.851990 where: bonds (distance) C4'-P energy: -177.902 bonds (distance) P-C4' energy: -178.248 flat angles C4'-P-C4' energy: -209.219 flat angles P-C4'-P energy: -145.773 tors. eta vs tors. theta energy: -278.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2909.953763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.953763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.953763 (E_RNA) where: Base-Base interactions energy: -1966.941 where: short stacking energy: -870.358 Base-Backbone interact. energy: 1.812 local terms energy: -944.824401 where: bonds (distance) C4'-P energy: -166.954 bonds (distance) P-C4' energy: -182.987 flat angles C4'-P-C4' energy: -203.498 flat angles P-C4'-P energy: -137.283 tors. eta vs tors. theta energy: -254.102 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: 235 Temperature: 1.000000 Total energy: -2819.372141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.372141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.372141 (E_RNA) where: Base-Base interactions energy: -1925.706 where: short stacking energy: -816.464 Base-Backbone interact. energy: -5.369 local terms energy: -888.297060 where: bonds (distance) C4'-P energy: -167.492 bonds (distance) P-C4' energy: -178.447 flat angles C4'-P-C4' energy: -184.905 flat angles P-C4'-P energy: -113.014 tors. eta vs tors. theta energy: -244.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2465.316443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.316443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.316443 (E_RNA) where: Base-Base interactions energy: -1642.657 where: short stacking energy: -721.886 Base-Backbone interact. energy: -1.435 local terms energy: -821.225037 where: bonds (distance) C4'-P energy: -171.028 bonds (distance) P-C4' energy: -171.518 flat angles C4'-P-C4' energy: -163.443 flat angles P-C4'-P energy: -114.630 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: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2312.425235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.425235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.425235 (E_RNA) where: Base-Base interactions energy: -1512.267 where: short stacking energy: -693.277 Base-Backbone interact. energy: -2.852 local terms energy: -797.306594 where: bonds (distance) C4'-P energy: -156.546 bonds (distance) P-C4' energy: -161.777 flat angles C4'-P-C4' energy: -183.084 flat angles P-C4'-P energy: -105.725 tors. eta vs tors. theta energy: -190.175 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: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2120.440750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.440750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.440750 (E_RNA) where: Base-Base interactions energy: -1391.517 where: short stacking energy: -595.808 Base-Backbone interact. energy: 5.610 local terms energy: -734.533292 where: bonds (distance) C4'-P energy: -155.045 bonds (distance) P-C4' energy: -171.713 flat angles C4'-P-C4' energy: -163.468 flat angles P-C4'-P energy: -107.421 tors. eta vs tors. theta energy: -136.886 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: 235 Temperature: 1.200000 Total energy: -1717.436163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.436163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.436163 (E_RNA) where: Base-Base interactions energy: -1068.546 where: short stacking energy: -494.623 Base-Backbone interact. energy: 0.071 local terms energy: -648.960440 where: bonds (distance) C4'-P energy: -166.056 bonds (distance) P-C4' energy: -163.635 flat angles C4'-P-C4' energy: -145.099 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -96.273 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: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1399.100255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.100255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.100255 (E_RNA) where: Base-Base interactions energy: -820.862 where: short stacking energy: -422.318 Base-Backbone interact. energy: 2.271 local terms energy: -580.509184 where: bonds (distance) C4'-P energy: -140.573 bonds (distance) P-C4' energy: -141.284 flat angles C4'-P-C4' energy: -132.394 flat angles P-C4'-P energy: -90.873 tors. eta vs tors. theta energy: -75.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1060.150803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.150803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.150803 (E_RNA) where: Base-Base interactions energy: -563.306 where: short stacking energy: -305.130 Base-Backbone interact. energy: -3.757 local terms energy: -493.087685 where: bonds (distance) C4'-P energy: -137.600 bonds (distance) P-C4' energy: -148.096 flat angles C4'-P-C4' energy: -118.365 flat angles P-C4'-P energy: -82.548 tors. eta vs tors. theta energy: -6.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -683.207044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.207044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.207044 (E_RNA) where: Base-Base interactions energy: -229.919 where: short stacking energy: -200.710 Base-Backbone interact. energy: 0.421 local terms energy: -453.709625 where: bonds (distance) C4'-P energy: -140.923 bonds (distance) P-C4' energy: -158.758 flat angles C4'-P-C4' energy: -139.146 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: 42.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3011.944168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.944168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.944168 (E_RNA) where: Base-Base interactions energy: -2049.210 where: short stacking energy: -931.914 Base-Backbone interact. energy: -0.159 local terms energy: -962.575861 where: bonds (distance) C4'-P energy: -159.669 bonds (distance) P-C4' energy: -184.773 flat angles C4'-P-C4' energy: -208.768 flat angles P-C4'-P energy: -139.819 tors. eta vs tors. theta energy: -269.548 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: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2917.584846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.584846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.584846 (E_RNA) where: Base-Base interactions energy: -1960.590 where: short stacking energy: -879.964 Base-Backbone interact. energy: -2.010 local terms energy: -954.984888 where: bonds (distance) C4'-P energy: -177.626 bonds (distance) P-C4' energy: -193.320 flat angles C4'-P-C4' energy: -203.338 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -261.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2788.048005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.048005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.048005 (E_RNA) where: Base-Base interactions energy: -1879.818 where: short stacking energy: -830.462 Base-Backbone interact. energy: -4.167 local terms energy: -904.063013 where: bonds (distance) C4'-P energy: -159.963 bonds (distance) P-C4' energy: -170.747 flat angles C4'-P-C4' energy: -207.216 flat angles P-C4'-P energy: -118.044 tors. eta vs tors. theta energy: -248.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2532.967372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.967372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.967372 (E_RNA) where: Base-Base interactions energy: -1663.069 where: short stacking energy: -709.884 Base-Backbone interact. energy: -1.449 local terms energy: -868.449193 where: bonds (distance) C4'-P energy: -171.257 bonds (distance) P-C4' energy: -180.824 flat angles C4'-P-C4' energy: -198.736 flat angles P-C4'-P energy: -136.190 tors. eta vs tors. theta energy: -181.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2308.544428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.544428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.544428 (E_RNA) where: Base-Base interactions energy: -1523.221 where: short stacking energy: -690.855 Base-Backbone interact. energy: -3.226 local terms energy: -782.097240 where: bonds (distance) C4'-P energy: -149.613 bonds (distance) P-C4' energy: -150.648 flat angles C4'-P-C4' energy: -185.715 flat angles P-C4'-P energy: -96.224 tors. eta vs tors. theta energy: -199.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2161.449691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.449691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.449691 (E_RNA) where: Base-Base interactions energy: -1425.722 where: short stacking energy: -616.972 Base-Backbone interact. energy: -1.827 local terms energy: -733.900515 where: bonds (distance) C4'-P energy: -126.641 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -189.501 flat angles P-C4'-P energy: -100.298 tors. eta vs tors. theta energy: -156.527 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: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1631.330368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.330368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.330368 (E_RNA) where: Base-Base interactions energy: -987.765 where: short stacking energy: -456.875 Base-Backbone interact. energy: -3.548 local terms energy: -640.017271 where: bonds (distance) C4'-P energy: -153.346 bonds (distance) P-C4' energy: -163.126 flat angles C4'-P-C4' energy: -169.271 flat angles P-C4'-P energy: -75.375 tors. eta vs tors. theta energy: -78.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1423.963667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.963667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.963667 (E_RNA) where: Base-Base interactions energy: -820.187 where: short stacking energy: -381.297 Base-Backbone interact. energy: 8.983 local terms energy: -612.760285 where: bonds (distance) C4'-P energy: -158.928 bonds (distance) P-C4' energy: -161.346 flat angles C4'-P-C4' energy: -152.423 flat angles P-C4'-P energy: -74.048 tors. eta vs tors. theta energy: -66.016 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: 236 Temperature: 1.300000 Total energy: -1038.277258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.277258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.277258 (E_RNA) where: Base-Base interactions energy: -522.242 where: short stacking energy: -291.558 Base-Backbone interact. energy: -2.640 local terms energy: -513.395920 where: bonds (distance) C4'-P energy: -154.118 bonds (distance) P-C4' energy: -157.652 flat angles C4'-P-C4' energy: -121.370 flat angles P-C4'-P energy: -58.855 tors. eta vs tors. theta energy: -21.401 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: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -710.293693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.293693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.293693 (E_RNA) where: Base-Base interactions energy: -261.044 where: short stacking energy: -204.649 Base-Backbone interact. energy: 1.796 local terms energy: -451.045034 where: bonds (distance) C4'-P energy: -151.189 bonds (distance) P-C4' energy: -138.242 flat angles C4'-P-C4' energy: -124.512 flat angles P-C4'-P energy: -78.517 tors. eta vs tors. theta energy: 41.415 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: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2986.018599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.018599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.018599 (E_RNA) where: Base-Base interactions energy: -1998.329 where: short stacking energy: -907.737 Base-Backbone interact. energy: -2.081 local terms energy: -985.607978 where: bonds (distance) C4'-P energy: -186.499 bonds (distance) P-C4' energy: -184.869 flat angles C4'-P-C4' energy: -203.729 flat angles P-C4'-P energy: -137.262 tors. eta vs tors. theta energy: -273.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2901.458366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.458366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.458366 (E_RNA) where: Base-Base interactions energy: -1968.550 where: short stacking energy: -887.354 Base-Backbone interact. energy: -3.973 local terms energy: -928.935227 where: bonds (distance) C4'-P energy: -169.475 bonds (distance) P-C4' energy: -176.876 flat angles C4'-P-C4' energy: -198.230 flat angles P-C4'-P energy: -132.121 tors. eta vs tors. theta energy: -252.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2821.158802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.158802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.158802 (E_RNA) where: Base-Base interactions energy: -1896.945 where: short stacking energy: -831.785 Base-Backbone interact. energy: -3.241 local terms energy: -920.972799 where: bonds (distance) C4'-P energy: -185.591 bonds (distance) P-C4' energy: -177.430 flat angles C4'-P-C4' energy: -205.039 flat angles P-C4'-P energy: -110.796 tors. eta vs tors. theta energy: -242.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2510.954206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.954206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.954206 (E_RNA) where: Base-Base interactions energy: -1669.076 where: short stacking energy: -741.544 Base-Backbone interact. energy: 0.481 local terms energy: -842.359318 where: bonds (distance) C4'-P energy: -160.974 bonds (distance) P-C4' energy: -162.456 flat angles C4'-P-C4' energy: -188.199 flat angles P-C4'-P energy: -118.130 tors. eta vs tors. theta energy: -212.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2302.582155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.582155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.582155 (E_RNA) where: Base-Base interactions energy: -1503.358 where: short stacking energy: -697.175 Base-Backbone interact. energy: -4.261 local terms energy: -794.962769 where: bonds (distance) C4'-P energy: -149.416 bonds (distance) P-C4' energy: -168.502 flat angles C4'-P-C4' energy: -161.095 flat angles P-C4'-P energy: -122.687 tors. eta vs tors. theta energy: -193.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2182.125591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.125591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.125591 (E_RNA) where: Base-Base interactions energy: -1392.443 where: short stacking energy: -626.425 Base-Backbone interact. energy: -0.282 local terms energy: -789.400596 where: bonds (distance) C4'-P energy: -169.524 bonds (distance) P-C4' energy: -190.845 flat angles C4'-P-C4' energy: -166.003 flat angles P-C4'-P energy: -107.360 tors. eta vs tors. theta energy: -155.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1611.292697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.292697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.292697 (E_RNA) where: Base-Base interactions energy: -1002.947 where: short stacking energy: -505.395 Base-Backbone interact. energy: 5.203 local terms energy: -613.548653 where: bonds (distance) C4'-P energy: -130.567 bonds (distance) P-C4' energy: -160.801 flat angles C4'-P-C4' energy: -148.843 flat angles P-C4'-P energy: -91.680 tors. eta vs tors. theta energy: -81.658 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: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1397.521882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.521882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.521882 (E_RNA) where: Base-Base interactions energy: -817.302 where: short stacking energy: -404.480 Base-Backbone interact. energy: -1.590 local terms energy: -578.629631 where: bonds (distance) C4'-P energy: -138.912 bonds (distance) P-C4' energy: -139.103 flat angles C4'-P-C4' energy: -158.201 flat angles P-C4'-P energy: -73.954 tors. eta vs tors. theta energy: -68.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1117.932776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.932776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.932776 (E_RNA) where: Base-Base interactions energy: -639.697 where: short stacking energy: -350.400 Base-Backbone interact. energy: 7.984 local terms energy: -486.220433 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -155.180 flat angles C4'-P-C4' energy: -98.718 flat angles P-C4'-P energy: -69.764 tors. eta vs tors. theta energy: -30.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -678.697572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.697572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.697572 (E_RNA) where: Base-Base interactions energy: -237.928 where: short stacking energy: -195.887 Base-Backbone interact. energy: 1.166 local terms energy: -441.934821 where: bonds (distance) C4'-P energy: -138.160 bonds (distance) P-C4' energy: -129.843 flat angles C4'-P-C4' energy: -122.067 flat angles P-C4'-P energy: -67.725 tors. eta vs tors. theta energy: 15.860 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: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3015.358559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.358559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.358559 (E_RNA) where: Base-Base interactions energy: -2014.110 where: short stacking energy: -911.733 Base-Backbone interact. energy: -6.753 local terms energy: -994.495113 where: bonds (distance) C4'-P energy: -185.927 bonds (distance) P-C4' energy: -186.395 flat angles C4'-P-C4' energy: -205.137 flat angles P-C4'-P energy: -137.406 tors. eta vs tors. theta energy: -279.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2953.713263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.713263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.713263 (E_RNA) where: Base-Base interactions energy: -1997.725 where: short stacking energy: -898.128 Base-Backbone interact. energy: -0.630 local terms energy: -955.357522 where: bonds (distance) C4'-P energy: -168.143 bonds (distance) P-C4' energy: -175.452 flat angles C4'-P-C4' energy: -204.486 flat angles P-C4'-P energy: -134.306 tors. eta vs tors. theta energy: -272.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2811.113575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.113575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.113575 (E_RNA) where: Base-Base interactions energy: -1885.747 where: short stacking energy: -820.297 Base-Backbone interact. energy: -1.064 local terms energy: -924.302164 where: bonds (distance) C4'-P energy: -159.912 bonds (distance) P-C4' energy: -165.103 flat angles C4'-P-C4' energy: -215.232 flat angles P-C4'-P energy: -130.548 tors. eta vs tors. theta energy: -253.507 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: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2458.457565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.457565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.457565 (E_RNA) where: Base-Base interactions energy: -1644.500 where: short stacking energy: -732.946 Base-Backbone interact. energy: -0.622 local terms energy: -813.335883 where: bonds (distance) C4'-P energy: -159.078 bonds (distance) P-C4' energy: -183.873 flat angles C4'-P-C4' energy: -185.047 flat angles P-C4'-P energy: -88.034 tors. eta vs tors. theta energy: -197.304 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: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2278.542949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.542949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.542949 (E_RNA) where: Base-Base interactions energy: -1475.537 where: short stacking energy: -677.570 Base-Backbone interact. energy: -1.048 local terms energy: -801.957279 where: bonds (distance) C4'-P energy: -168.660 bonds (distance) P-C4' energy: -166.516 flat angles C4'-P-C4' energy: -178.478 flat angles P-C4'-P energy: -113.024 tors. eta vs tors. theta energy: -175.279 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: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2215.479038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.479038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.479038 (E_RNA) where: Base-Base interactions energy: -1451.977 where: short stacking energy: -643.293 Base-Backbone interact. energy: -3.558 local terms energy: -759.944558 where: bonds (distance) C4'-P energy: -156.587 bonds (distance) P-C4' energy: -162.944 flat angles C4'-P-C4' energy: -171.171 flat angles P-C4'-P energy: -98.108 tors. eta vs tors. theta energy: -171.134 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: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1702.980108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.980108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.980108 (E_RNA) where: Base-Base interactions energy: -1046.683 where: short stacking energy: -497.052 Base-Backbone interact. energy: 4.591 local terms energy: -660.887289 where: bonds (distance) C4'-P energy: -155.946 bonds (distance) P-C4' energy: -152.199 flat angles C4'-P-C4' energy: -160.970 flat angles P-C4'-P energy: -100.369 tors. eta vs tors. theta energy: -91.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1436.310853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.310853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.310853 (E_RNA) where: Base-Base interactions energy: -856.260 where: short stacking energy: -420.465 Base-Backbone interact. energy: 6.950 local terms energy: -587.000135 where: bonds (distance) C4'-P energy: -156.446 bonds (distance) P-C4' energy: -168.876 flat angles C4'-P-C4' energy: -131.866 flat angles P-C4'-P energy: -86.071 tors. eta vs tors. theta energy: -43.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1131.494393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.494393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.494393 (E_RNA) where: Base-Base interactions energy: -606.343 where: short stacking energy: -298.334 Base-Backbone interact. energy: 0.372 local terms energy: -525.524027 where: bonds (distance) C4'-P energy: -155.557 bonds (distance) P-C4' energy: -157.352 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -69.748 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -707.827591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.827591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.827591 (E_RNA) where: Base-Base interactions energy: -244.511 where: short stacking energy: -221.968 Base-Backbone interact. energy: -1.283 local terms energy: -462.033627 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -150.756 flat angles C4'-P-C4' energy: -102.827 flat angles P-C4'-P energy: -89.235 tors. eta vs tors. theta energy: 13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2996.257771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.257771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.257771 (E_RNA) where: Base-Base interactions energy: -2004.628 where: short stacking energy: -929.238 Base-Backbone interact. energy: -6.573 local terms energy: -985.056485 where: bonds (distance) C4'-P energy: -178.390 bonds (distance) P-C4' energy: -175.093 flat angles C4'-P-C4' energy: -216.123 flat angles P-C4'-P energy: -124.074 tors. eta vs tors. theta energy: -291.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2942.637150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.637150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.637150 (E_RNA) where: Base-Base interactions energy: -2001.572 where: short stacking energy: -902.757 Base-Backbone interact. energy: 2.376 local terms energy: -943.441317 where: bonds (distance) C4'-P energy: -151.000 bonds (distance) P-C4' energy: -178.017 flat angles C4'-P-C4' energy: -210.090 flat angles P-C4'-P energy: -128.603 tors. eta vs tors. theta energy: -275.731 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: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2837.502433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.502433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.502433 (E_RNA) where: Base-Base interactions energy: -1910.321 where: short stacking energy: -854.393 Base-Backbone interact. energy: -3.623 local terms energy: -923.558902 where: bonds (distance) C4'-P energy: -162.045 bonds (distance) P-C4' energy: -163.644 flat angles C4'-P-C4' energy: -196.852 flat angles P-C4'-P energy: -136.112 tors. eta vs tors. theta energy: -264.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2498.332987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.332987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.332987 (E_RNA) where: Base-Base interactions energy: -1649.668 where: short stacking energy: -733.258 Base-Backbone interact. energy: -1.103 local terms energy: -847.562535 where: bonds (distance) C4'-P energy: -179.565 bonds (distance) P-C4' energy: -156.672 flat angles C4'-P-C4' energy: -178.794 flat angles P-C4'-P energy: -119.087 tors. eta vs tors. theta energy: -213.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2362.328742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.328742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.328742 (E_RNA) where: Base-Base interactions energy: -1538.173 where: short stacking energy: -686.845 Base-Backbone interact. energy: -1.114 local terms energy: -823.041932 where: bonds (distance) C4'-P energy: -157.341 bonds (distance) P-C4' energy: -157.071 flat angles C4'-P-C4' energy: -198.556 flat angles P-C4'-P energy: -103.786 tors. eta vs tors. theta energy: -206.289 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: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2185.801367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.801367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.801367 (E_RNA) where: Base-Base interactions energy: -1440.049 where: short stacking energy: -646.336 Base-Backbone interact. energy: 2.671 local terms energy: -748.423766 where: bonds (distance) C4'-P energy: -145.406 bonds (distance) P-C4' energy: -162.610 flat angles C4'-P-C4' energy: -174.824 flat angles P-C4'-P energy: -108.625 tors. eta vs tors. theta energy: -156.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1768.924257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.924257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.924257 (E_RNA) where: Base-Base interactions energy: -1086.239 where: short stacking energy: -530.325 Base-Backbone interact. energy: -1.640 local terms energy: -681.044979 where: bonds (distance) C4'-P energy: -141.232 bonds (distance) P-C4' energy: -167.816 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -114.519 tors. eta vs tors. theta energy: -112.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1477.548781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.548781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.548781 (E_RNA) where: Base-Base interactions energy: -873.130 where: short stacking energy: -407.193 Base-Backbone interact. energy: 0.472 local terms energy: -604.891251 where: bonds (distance) C4'-P energy: -146.213 bonds (distance) P-C4' energy: -171.406 flat angles C4'-P-C4' energy: -144.619 flat angles P-C4'-P energy: -83.130 tors. eta vs tors. theta energy: -59.523 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: 239 Temperature: 1.300000 Total energy: -1165.683211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.683211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.683211 (E_RNA) where: Base-Base interactions energy: -627.240 where: short stacking energy: -300.175 Base-Backbone interact. energy: 4.463 local terms energy: -542.905985 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -154.180 flat angles C4'-P-C4' energy: -137.967 flat angles P-C4'-P energy: -93.078 tors. eta vs tors. theta energy: -17.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -672.180473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.180473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.180473 (E_RNA) where: Base-Base interactions energy: -245.035 where: short stacking energy: -194.023 Base-Backbone interact. energy: -3.827 local terms energy: -423.318109 where: bonds (distance) C4'-P energy: -146.146 bonds (distance) P-C4' energy: -139.651 flat angles C4'-P-C4' energy: -106.251 flat angles P-C4'-P energy: -62.890 tors. eta vs tors. theta energy: 31.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3019.896762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.896762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.896762 (E_RNA) where: Base-Base interactions energy: -2026.910 where: short stacking energy: -945.729 Base-Backbone interact. energy: -2.081 local terms energy: -990.906024 where: bonds (distance) C4'-P energy: -181.090 bonds (distance) P-C4' energy: -186.029 flat angles C4'-P-C4' energy: -215.850 flat angles P-C4'-P energy: -132.500 tors. eta vs tors. theta energy: -275.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2927.588688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.588688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.588688 (E_RNA) where: Base-Base interactions energy: -1972.723 where: short stacking energy: -879.958 Base-Backbone interact. energy: -4.950 local terms energy: -949.915391 where: bonds (distance) C4'-P energy: -162.923 bonds (distance) P-C4' energy: -199.650 flat angles C4'-P-C4' energy: -199.240 flat angles P-C4'-P energy: -125.666 tors. eta vs tors. theta energy: -262.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2819.427922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.427922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.427922 (E_RNA) where: Base-Base interactions energy: -1922.791 where: short stacking energy: -829.872 Base-Backbone interact. energy: -1.793 local terms energy: -894.844117 where: bonds (distance) C4'-P energy: -175.655 bonds (distance) P-C4' energy: -161.565 flat angles C4'-P-C4' energy: -195.176 flat angles P-C4'-P energy: -113.886 tors. eta vs tors. theta energy: -248.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2492.747856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.747856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.747856 (E_RNA) where: Base-Base interactions energy: -1652.856 where: short stacking energy: -736.009 Base-Backbone interact. energy: -3.960 local terms energy: -835.932059 where: bonds (distance) C4'-P energy: -181.631 bonds (distance) P-C4' energy: -154.339 flat angles C4'-P-C4' energy: -189.994 flat angles P-C4'-P energy: -117.039 tors. eta vs tors. theta energy: -192.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2379.421988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.421988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.421988 (E_RNA) where: Base-Base interactions energy: -1600.126 where: short stacking energy: -713.918 Base-Backbone interact. energy: -2.067 local terms energy: -777.229899 where: bonds (distance) C4'-P energy: -138.156 bonds (distance) P-C4' energy: -160.106 flat angles C4'-P-C4' energy: -177.906 flat angles P-C4'-P energy: -103.796 tors. eta vs tors. theta energy: -197.266 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2152.876721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.876721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.876721 (E_RNA) where: Base-Base interactions energy: -1397.327 where: short stacking energy: -611.846 Base-Backbone interact. energy: -6.173 local terms energy: -749.377174 where: bonds (distance) C4'-P energy: -157.886 bonds (distance) P-C4' energy: -175.144 flat angles C4'-P-C4' energy: -168.144 flat angles P-C4'-P energy: -106.497 tors. eta vs tors. theta energy: -141.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1811.992954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.992954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.992954 (E_RNA) where: Base-Base interactions energy: -1132.689 where: short stacking energy: -513.793 Base-Backbone interact. energy: 2.489 local terms energy: -681.792288 where: bonds (distance) C4'-P energy: -143.098 bonds (distance) P-C4' energy: -167.704 flat angles C4'-P-C4' energy: -150.656 flat angles P-C4'-P energy: -108.652 tors. eta vs tors. theta energy: -111.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1475.566912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.566912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.566912 (E_RNA) where: Base-Base interactions energy: -852.513 where: short stacking energy: -400.067 Base-Backbone interact. energy: -1.123 local terms energy: -621.930701 where: bonds (distance) C4'-P energy: -155.762 bonds (distance) P-C4' energy: -161.790 flat angles C4'-P-C4' energy: -146.795 flat angles P-C4'-P energy: -84.372 tors. eta vs tors. theta energy: -73.212 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: 240 Temperature: 1.300000 Total energy: -1138.105139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.105139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.105139 (E_RNA) where: Base-Base interactions energy: -600.111 where: short stacking energy: -308.691 Base-Backbone interact. energy: 8.629 local terms energy: -546.622570 where: bonds (distance) C4'-P energy: -161.697 bonds (distance) P-C4' energy: -155.509 flat angles C4'-P-C4' energy: -139.310 flat angles P-C4'-P energy: -75.383 tors. eta vs tors. theta energy: -14.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -672.567186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.567186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.567186 (E_RNA) where: Base-Base interactions energy: -262.644 where: short stacking energy: -186.865 Base-Backbone interact. energy: 1.567 local terms energy: -411.489503 where: bonds (distance) C4'-P energy: -124.551 bonds (distance) P-C4' energy: -129.038 flat angles C4'-P-C4' energy: -131.341 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: 37.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3026.419769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.419769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.419769 (E_RNA) where: Base-Base interactions energy: -2015.981 where: short stacking energy: -918.330 Base-Backbone interact. energy: -3.749 local terms energy: -1006.689480 where: bonds (distance) C4'-P energy: -165.251 bonds (distance) P-C4' energy: -190.269 flat angles C4'-P-C4' energy: -229.839 flat angles P-C4'-P energy: -138.479 tors. eta vs tors. theta energy: -282.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2926.331384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.331384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.331384 (E_RNA) where: Base-Base interactions energy: -1973.663 where: short stacking energy: -833.109 Base-Backbone interact. energy: -0.763 local terms energy: -951.904619 where: bonds (distance) C4'-P energy: -200.180 bonds (distance) P-C4' energy: -156.268 flat angles C4'-P-C4' energy: -214.199 flat angles P-C4'-P energy: -126.122 tors. eta vs tors. theta energy: -255.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2878.140082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.140082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.140082 (E_RNA) where: Base-Base interactions energy: -1934.158 where: short stacking energy: -838.606 Base-Backbone interact. energy: -0.871 local terms energy: -943.111253 where: bonds (distance) C4'-P energy: -179.758 bonds (distance) P-C4' energy: -166.924 flat angles C4'-P-C4' energy: -191.427 flat angles P-C4'-P energy: -143.713 tors. eta vs tors. theta energy: -261.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2554.469736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.469736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.469736 (E_RNA) where: Base-Base interactions energy: -1709.164 where: short stacking energy: -742.427 Base-Backbone interact. energy: -3.980 local terms energy: -841.326480 where: bonds (distance) C4'-P energy: -151.355 bonds (distance) P-C4' energy: -165.079 flat angles C4'-P-C4' energy: -200.920 flat angles P-C4'-P energy: -110.414 tors. eta vs tors. theta energy: -213.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2357.240262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.240262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.240262 (E_RNA) where: Base-Base interactions energy: -1522.933 where: short stacking energy: -673.545 Base-Backbone interact. energy: -3.438 local terms energy: -830.869478 where: bonds (distance) C4'-P energy: -159.725 bonds (distance) P-C4' energy: -166.153 flat angles C4'-P-C4' energy: -189.518 flat angles P-C4'-P energy: -113.801 tors. eta vs tors. theta energy: -201.672 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: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2065.999534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.999534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.999534 (E_RNA) where: Base-Base interactions energy: -1346.955 where: short stacking energy: -603.572 Base-Backbone interact. energy: -0.964 local terms energy: -718.080108 where: bonds (distance) C4'-P energy: -128.944 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -174.554 flat angles P-C4'-P energy: -102.237 tors. eta vs tors. theta energy: -159.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1852.654763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.654763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.654763 (E_RNA) where: Base-Base interactions energy: -1153.459 where: short stacking energy: -579.552 Base-Backbone interact. energy: -0.554 local terms energy: -698.641428 where: bonds (distance) C4'-P energy: -128.278 bonds (distance) P-C4' energy: -175.104 flat angles C4'-P-C4' energy: -175.056 flat angles P-C4'-P energy: -86.945 tors. eta vs tors. theta energy: -133.258 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: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1448.618076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.618076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.618076 (E_RNA) where: Base-Base interactions energy: -858.217 where: short stacking energy: -426.720 Base-Backbone interact. energy: 2.869 local terms energy: -593.270209 where: bonds (distance) C4'-P energy: -132.961 bonds (distance) P-C4' energy: -171.477 flat angles C4'-P-C4' energy: -130.212 flat angles P-C4'-P energy: -87.625 tors. eta vs tors. theta energy: -70.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1214.705320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.705320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.705320 (E_RNA) where: Base-Base interactions energy: -715.925 where: short stacking energy: -393.163 Base-Backbone interact. energy: -2.873 local terms energy: -495.907432 where: bonds (distance) C4'-P energy: -127.175 bonds (distance) P-C4' energy: -129.079 flat angles C4'-P-C4' energy: -123.744 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -45.754 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: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -671.058194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.058194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.058194 (E_RNA) where: Base-Base interactions energy: -220.522 where: short stacking energy: -178.350 Base-Backbone interact. energy: 3.190 local terms energy: -453.726487 where: bonds (distance) C4'-P energy: -153.412 bonds (distance) P-C4' energy: -155.520 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -63.821 tors. eta vs tors. theta energy: 40.401 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: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3008.999905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.999905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.999905 (E_RNA) where: Base-Base interactions energy: -2033.322 where: short stacking energy: -916.766 Base-Backbone interact. energy: -2.552 local terms energy: -973.125910 where: bonds (distance) C4'-P energy: -181.650 bonds (distance) P-C4' energy: -184.990 flat angles C4'-P-C4' energy: -197.322 flat angles P-C4'-P energy: -139.414 tors. eta vs tors. theta energy: -269.750 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: 242 Temperature: 0.950000 Total energy: -2911.211571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.211571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.211571 (E_RNA) where: Base-Base interactions energy: -1971.320 where: short stacking energy: -863.607 Base-Backbone interact. energy: -2.782 local terms energy: -937.109441 where: bonds (distance) C4'-P energy: -165.351 bonds (distance) P-C4' energy: -182.192 flat angles C4'-P-C4' energy: -205.505 flat angles P-C4'-P energy: -129.934 tors. eta vs tors. theta energy: -254.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2911.052510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.052510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.052510 (E_RNA) where: Base-Base interactions energy: -1968.549 where: short stacking energy: -872.784 Base-Backbone interact. energy: -0.445 local terms energy: -942.058743 where: bonds (distance) C4'-P energy: -195.960 bonds (distance) P-C4' energy: -172.619 flat angles C4'-P-C4' energy: -200.918 flat angles P-C4'-P energy: -119.803 tors. eta vs tors. theta energy: -252.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2575.650062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.650062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.650062 (E_RNA) where: Base-Base interactions energy: -1702.748 where: short stacking energy: -755.784 Base-Backbone interact. energy: 1.658 local terms energy: -874.560454 where: bonds (distance) C4'-P energy: -169.056 bonds (distance) P-C4' energy: -175.335 flat angles C4'-P-C4' energy: -190.751 flat angles P-C4'-P energy: -122.468 tors. eta vs tors. theta energy: -216.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2329.851836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.851836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.851836 (E_RNA) where: Base-Base interactions energy: -1538.667 where: short stacking energy: -687.178 Base-Backbone interact. energy: -1.880 local terms energy: -789.304594 where: bonds (distance) C4'-P energy: -152.702 bonds (distance) P-C4' energy: -157.016 flat angles C4'-P-C4' energy: -193.329 flat angles P-C4'-P energy: -116.452 tors. eta vs tors. theta energy: -169.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2086.901128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.901128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.901128 (E_RNA) where: Base-Base interactions energy: -1326.404 where: short stacking energy: -609.937 Base-Backbone interact. energy: 1.810 local terms energy: -762.307083 where: bonds (distance) C4'-P energy: -154.251 bonds (distance) P-C4' energy: -164.115 flat angles C4'-P-C4' energy: -174.170 flat angles P-C4'-P energy: -116.804 tors. eta vs tors. theta energy: -152.967 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: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1900.992076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.992076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.992076 (E_RNA) where: Base-Base interactions energy: -1202.305 where: short stacking energy: -554.768 Base-Backbone interact. energy: -2.594 local terms energy: -696.093687 where: bonds (distance) C4'-P energy: -141.563 bonds (distance) P-C4' energy: -163.009 flat angles C4'-P-C4' energy: -155.206 flat angles P-C4'-P energy: -88.464 tors. eta vs tors. theta energy: -147.851 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: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1486.336689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.336689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.336689 (E_RNA) where: Base-Base interactions energy: -877.745 where: short stacking energy: -385.801 Base-Backbone interact. energy: -0.843 local terms energy: -607.749068 where: bonds (distance) C4'-P energy: -154.513 bonds (distance) P-C4' energy: -165.087 flat angles C4'-P-C4' energy: -142.742 flat angles P-C4'-P energy: -96.199 tors. eta vs tors. theta energy: -49.208 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: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1206.845836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.845836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.845836 (E_RNA) where: Base-Base interactions energy: -681.174 where: short stacking energy: -349.164 Base-Backbone interact. energy: 6.659 local terms energy: -532.331475 where: bonds (distance) C4'-P energy: -143.920 bonds (distance) P-C4' energy: -135.147 flat angles C4'-P-C4' energy: -123.730 flat angles P-C4'-P energy: -102.498 tors. eta vs tors. theta energy: -27.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -676.012702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.012702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.012702 (E_RNA) where: Base-Base interactions energy: -213.213 where: short stacking energy: -170.909 Base-Backbone interact. energy: 6.896 local terms energy: -469.695993 where: bonds (distance) C4'-P energy: -153.288 bonds (distance) P-C4' energy: -143.792 flat angles C4'-P-C4' energy: -134.660 flat angles P-C4'-P energy: -81.143 tors. eta vs tors. theta energy: 43.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3010.636932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.636932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.636932 (E_RNA) where: Base-Base interactions energy: -2012.983 where: short stacking energy: -908.898 Base-Backbone interact. energy: -2.858 local terms energy: -994.796508 where: bonds (distance) C4'-P energy: -175.391 bonds (distance) P-C4' energy: -186.816 flat angles C4'-P-C4' energy: -214.680 flat angles P-C4'-P energy: -135.306 tors. eta vs tors. theta energy: -282.604 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: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2950.185663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.185663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.185663 (E_RNA) where: Base-Base interactions energy: -2045.163 where: short stacking energy: -896.812 Base-Backbone interact. energy: -0.301 local terms energy: -904.722139 where: bonds (distance) C4'-P energy: -164.643 bonds (distance) P-C4' energy: -162.468 flat angles C4'-P-C4' energy: -196.885 flat angles P-C4'-P energy: -120.998 tors. eta vs tors. theta energy: -259.727 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: 243 Temperature: 1.000000 Total energy: -2852.428669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.428669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.428669 (E_RNA) where: Base-Base interactions energy: -1923.457 where: short stacking energy: -865.380 Base-Backbone interact. energy: -0.201 local terms energy: -928.770999 where: bonds (distance) C4'-P energy: -173.143 bonds (distance) P-C4' energy: -181.596 flat angles C4'-P-C4' energy: -192.740 flat angles P-C4'-P energy: -118.847 tors. eta vs tors. theta energy: -262.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2568.595431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.595431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.595431 (E_RNA) where: Base-Base interactions energy: -1710.050 where: short stacking energy: -728.996 Base-Backbone interact. energy: 1.645 local terms energy: -860.191204 where: bonds (distance) C4'-P energy: -165.342 bonds (distance) P-C4' energy: -166.372 flat angles C4'-P-C4' energy: -196.756 flat angles P-C4'-P energy: -127.933 tors. eta vs tors. theta energy: -203.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2380.825820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.825820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.825820 (E_RNA) where: Base-Base interactions energy: -1581.628 where: short stacking energy: -698.689 Base-Backbone interact. energy: 0.456 local terms energy: -799.653902 where: bonds (distance) C4'-P energy: -137.326 bonds (distance) P-C4' energy: -175.659 flat angles C4'-P-C4' energy: -169.502 flat angles P-C4'-P energy: -121.248 tors. eta vs tors. theta energy: -195.919 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: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1995.523892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.523892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.523892 (E_RNA) where: Base-Base interactions energy: -1262.074 where: short stacking energy: -591.504 Base-Backbone interact. energy: -3.748 local terms energy: -729.702461 where: bonds (distance) C4'-P energy: -148.680 bonds (distance) P-C4' energy: -165.313 flat angles C4'-P-C4' energy: -175.405 flat angles P-C4'-P energy: -91.504 tors. eta vs tors. theta energy: -148.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1860.527234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.527234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.527234 (E_RNA) where: Base-Base interactions energy: -1162.431 where: short stacking energy: -539.430 Base-Backbone interact. energy: -2.643 local terms energy: -695.453608 where: bonds (distance) C4'-P energy: -155.706 bonds (distance) P-C4' energy: -149.395 flat angles C4'-P-C4' energy: -138.084 flat angles P-C4'-P energy: -116.920 tors. eta vs tors. theta energy: -135.349 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: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1424.829108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.829108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.829108 (E_RNA) where: Base-Base interactions energy: -856.229 where: short stacking energy: -425.732 Base-Backbone interact. energy: -1.438 local terms energy: -567.161561 where: bonds (distance) C4'-P energy: -164.083 bonds (distance) P-C4' energy: -159.059 flat angles C4'-P-C4' energy: -129.776 flat angles P-C4'-P energy: -51.327 tors. eta vs tors. theta energy: -62.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1156.732285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.732285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.732285 (E_RNA) where: Base-Base interactions energy: -625.351 where: short stacking energy: -315.074 Base-Backbone interact. energy: 0.329 local terms energy: -531.710146 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -136.991 flat angles C4'-P-C4' energy: -164.603 flat angles P-C4'-P energy: -64.761 tors. eta vs tors. theta energy: -19.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -690.184503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.184503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.184503 (E_RNA) where: Base-Base interactions energy: -247.163 where: short stacking energy: -197.496 Base-Backbone interact. energy: 3.186 local terms energy: -446.208141 where: bonds (distance) C4'-P energy: -137.433 bonds (distance) P-C4' energy: -160.283 flat angles C4'-P-C4' energy: -111.476 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: 33.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3033.169223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.169223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.169223 (E_RNA) where: Base-Base interactions energy: -2018.753 where: short stacking energy: -923.263 Base-Backbone interact. energy: -3.116 local terms energy: -1011.300066 where: bonds (distance) C4'-P energy: -196.283 bonds (distance) P-C4' energy: -188.879 flat angles C4'-P-C4' energy: -214.897 flat angles P-C4'-P energy: -131.776 tors. eta vs tors. theta energy: -279.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2943.847146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.847146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.847146 (E_RNA) where: Base-Base interactions energy: -1994.690 where: short stacking energy: -885.891 Base-Backbone interact. energy: -1.931 local terms energy: -947.225624 where: bonds (distance) C4'-P energy: -179.197 bonds (distance) P-C4' energy: -190.406 flat angles C4'-P-C4' energy: -190.476 flat angles P-C4'-P energy: -128.548 tors. eta vs tors. theta energy: -258.598 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: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2810.676041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.676041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.676041 (E_RNA) where: Base-Base interactions energy: -1878.146 where: short stacking energy: -818.264 Base-Backbone interact. energy: -2.564 local terms energy: -929.966279 where: bonds (distance) C4'-P energy: -169.161 bonds (distance) P-C4' energy: -173.746 flat angles C4'-P-C4' energy: -205.244 flat angles P-C4'-P energy: -126.034 tors. eta vs tors. theta energy: -255.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2506.833272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.833272 (E_RNA) where: Base-Base interactions energy: -1651.303 where: short stacking energy: -725.602 Base-Backbone interact. energy: 2.150 local terms energy: -857.680578 where: bonds (distance) C4'-P energy: -177.975 bonds (distance) P-C4' energy: -169.564 flat angles C4'-P-C4' energy: -181.988 flat angles P-C4'-P energy: -116.486 tors. eta vs tors. theta energy: -211.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2406.038311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.038311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.038311 (E_RNA) where: Base-Base interactions energy: -1610.756 where: short stacking energy: -729.241 Base-Backbone interact. energy: 1.626 local terms energy: -796.909059 where: bonds (distance) C4'-P energy: -151.542 bonds (distance) P-C4' energy: -167.947 flat angles C4'-P-C4' energy: -189.502 flat angles P-C4'-P energy: -97.835 tors. eta vs tors. theta energy: -190.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2007.861451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.861451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.861451 (E_RNA) where: Base-Base interactions energy: -1272.900 where: short stacking energy: -587.642 Base-Backbone interact. energy: 1.294 local terms energy: -736.255892 where: bonds (distance) C4'-P energy: -173.944 bonds (distance) P-C4' energy: -150.576 flat angles C4'-P-C4' energy: -163.621 flat angles P-C4'-P energy: -109.606 tors. eta vs tors. theta energy: -138.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1884.577184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.577184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.577184 (E_RNA) where: Base-Base interactions energy: -1181.429 where: short stacking energy: -557.864 Base-Backbone interact. energy: 5.933 local terms energy: -709.081072 where: bonds (distance) C4'-P energy: -168.199 bonds (distance) P-C4' energy: -161.732 flat angles C4'-P-C4' energy: -161.099 flat angles P-C4'-P energy: -91.600 tors. eta vs tors. theta energy: -126.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1413.090249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.090249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.090249 (E_RNA) where: Base-Base interactions energy: -845.613 where: short stacking energy: -374.511 Base-Backbone interact. energy: 2.901 local terms energy: -570.377750 where: bonds (distance) C4'-P energy: -165.858 bonds (distance) P-C4' energy: -152.743 flat angles C4'-P-C4' energy: -138.332 flat angles P-C4'-P energy: -78.952 tors. eta vs tors. theta energy: -34.493 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: 244 Temperature: 1.300000 Total energy: -1138.689580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.689580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.689580 (E_RNA) where: Base-Base interactions energy: -612.747 where: short stacking energy: -323.700 Base-Backbone interact. energy: -0.992 local terms energy: -524.950574 where: bonds (distance) C4'-P energy: -132.932 bonds (distance) P-C4' energy: -143.244 flat angles C4'-P-C4' energy: -124.813 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -33.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -694.077963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.077963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.077963 (E_RNA) where: Base-Base interactions energy: -234.467 where: short stacking energy: -178.795 Base-Backbone interact. energy: -2.654 local terms energy: -456.957556 where: bonds (distance) C4'-P energy: -151.724 bonds (distance) P-C4' energy: -135.761 flat angles C4'-P-C4' energy: -134.134 flat angles P-C4'-P energy: -60.541 tors. eta vs tors. theta energy: 25.202 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: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3015.545340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.545340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.545340 (E_RNA) where: Base-Base interactions energy: -2009.977 where: short stacking energy: -934.927 Base-Backbone interact. energy: -4.112 local terms energy: -1001.456325 where: bonds (distance) C4'-P energy: -183.427 bonds (distance) P-C4' energy: -187.300 flat angles C4'-P-C4' energy: -203.423 flat angles P-C4'-P energy: -137.960 tors. eta vs tors. theta energy: -289.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2984.901573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.901573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.901573 (E_RNA) where: Base-Base interactions energy: -2002.201 where: short stacking energy: -904.091 Base-Backbone interact. energy: -3.934 local terms energy: -978.767346 where: bonds (distance) C4'-P energy: -165.834 bonds (distance) P-C4' energy: -186.858 flat angles C4'-P-C4' energy: -206.134 flat angles P-C4'-P energy: -141.680 tors. eta vs tors. theta energy: -278.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2815.345791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.345791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.345791 (E_RNA) where: Base-Base interactions energy: -1919.769 where: short stacking energy: -835.844 Base-Backbone interact. energy: -5.172 local terms energy: -890.405146 where: bonds (distance) C4'-P energy: -174.980 bonds (distance) P-C4' energy: -164.967 flat angles C4'-P-C4' energy: -187.943 flat angles P-C4'-P energy: -108.154 tors. eta vs tors. theta energy: -254.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2590.704940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.704940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.704940 (E_RNA) where: Base-Base interactions energy: -1758.342 where: short stacking energy: -777.552 Base-Backbone interact. energy: -5.934 local terms energy: -826.428711 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -145.287 flat angles C4'-P-C4' energy: -187.724 flat angles P-C4'-P energy: -123.763 tors. eta vs tors. theta energy: -228.918 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: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2466.146883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.146883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.146883 (E_RNA) where: Base-Base interactions energy: -1672.132 where: short stacking energy: -694.038 Base-Backbone interact. energy: -1.481 local terms energy: -792.533701 where: bonds (distance) C4'-P energy: -142.718 bonds (distance) P-C4' energy: -166.803 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -109.326 tors. eta vs tors. theta energy: -191.263 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: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1999.231264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.231264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.231264 (E_RNA) where: Base-Base interactions energy: -1259.932 where: short stacking energy: -541.412 Base-Backbone interact. energy: -1.831 local terms energy: -737.467715 where: bonds (distance) C4'-P energy: -171.606 bonds (distance) P-C4' energy: -151.304 flat angles C4'-P-C4' energy: -184.887 flat angles P-C4'-P energy: -110.600 tors. eta vs tors. theta energy: -119.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1835.697807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.697807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.697807 (E_RNA) where: Base-Base interactions energy: -1149.860 where: short stacking energy: -532.093 Base-Backbone interact. energy: 0.960 local terms energy: -686.796918 where: bonds (distance) C4'-P energy: -146.923 bonds (distance) P-C4' energy: -166.139 flat angles C4'-P-C4' energy: -150.328 flat angles P-C4'-P energy: -96.303 tors. eta vs tors. theta energy: -127.104 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: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1435.309299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.309299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.309299 (E_RNA) where: Base-Base interactions energy: -811.372 where: short stacking energy: -382.334 Base-Backbone interact. energy: -2.687 local terms energy: -621.251041 where: bonds (distance) C4'-P energy: -161.166 bonds (distance) P-C4' energy: -170.659 flat angles C4'-P-C4' energy: -141.728 flat angles P-C4'-P energy: -78.640 tors. eta vs tors. theta energy: -69.058 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: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1241.305013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.305013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.305013 (E_RNA) where: Base-Base interactions energy: -692.014 where: short stacking energy: -339.528 Base-Backbone interact. energy: -2.507 local terms energy: -546.784214 where: bonds (distance) C4'-P energy: -154.874 bonds (distance) P-C4' energy: -165.151 flat angles C4'-P-C4' energy: -125.698 flat angles P-C4'-P energy: -65.187 tors. eta vs tors. theta energy: -35.874 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: 245 Temperature: 1.350000 Total energy: -658.813305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.813305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.813305 (E_RNA) where: Base-Base interactions energy: -229.926 where: short stacking energy: -181.155 Base-Backbone interact. energy: 1.798 local terms energy: -430.685214 where: bonds (distance) C4'-P energy: -126.662 bonds (distance) P-C4' energy: -159.732 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -77.288 tors. eta vs tors. theta energy: 32.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2990.899662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.899662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.899662 (E_RNA) where: Base-Base interactions energy: -1998.419 where: short stacking energy: -920.260 Base-Backbone interact. energy: -0.344 local terms energy: -992.135837 where: bonds (distance) C4'-P energy: -178.870 bonds (distance) P-C4' energy: -191.186 flat angles C4'-P-C4' energy: -200.233 flat angles P-C4'-P energy: -135.587 tors. eta vs tors. theta energy: -286.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2987.692445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.692445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.692445 (E_RNA) where: Base-Base interactions energy: -2034.632 where: short stacking energy: -915.379 Base-Backbone interact. energy: -1.324 local terms energy: -951.736606 where: bonds (distance) C4'-P energy: -166.692 bonds (distance) P-C4' energy: -167.001 flat angles C4'-P-C4' energy: -216.200 flat angles P-C4'-P energy: -143.301 tors. eta vs tors. theta energy: -258.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2808.474060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.474060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.474060 (E_RNA) where: Base-Base interactions energy: -1867.786 where: short stacking energy: -870.785 Base-Backbone interact. energy: -3.061 local terms energy: -937.626839 where: bonds (distance) C4'-P energy: -184.189 bonds (distance) P-C4' energy: -171.772 flat angles C4'-P-C4' energy: -194.862 flat angles P-C4'-P energy: -118.175 tors. eta vs tors. theta energy: -268.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2554.415072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.415072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.415072 (E_RNA) where: Base-Base interactions energy: -1714.374 where: short stacking energy: -731.966 Base-Backbone interact. energy: -1.370 local terms energy: -838.670894 where: bonds (distance) C4'-P energy: -146.943 bonds (distance) P-C4' energy: -165.390 flat angles C4'-P-C4' energy: -189.218 flat angles P-C4'-P energy: -128.512 tors. eta vs tors. theta energy: -208.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2504.055877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.055877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.055877 (E_RNA) where: Base-Base interactions energy: -1657.515 where: short stacking energy: -705.590 Base-Backbone interact. energy: -4.732 local terms energy: -841.808990 where: bonds (distance) C4'-P energy: -157.970 bonds (distance) P-C4' energy: -171.342 flat angles C4'-P-C4' energy: -184.633 flat angles P-C4'-P energy: -121.320 tors. eta vs tors. theta energy: -206.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1972.678817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.678817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.678817 (E_RNA) where: Base-Base interactions energy: -1218.361 where: short stacking energy: -582.414 Base-Backbone interact. energy: -1.828 local terms energy: -752.490195 where: bonds (distance) C4'-P energy: -156.583 bonds (distance) P-C4' energy: -185.010 flat angles C4'-P-C4' energy: -183.765 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -133.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1787.109304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.109304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.109304 (E_RNA) where: Base-Base interactions energy: -1116.937 where: short stacking energy: -525.491 Base-Backbone interact. energy: 1.968 local terms energy: -672.139869 where: bonds (distance) C4'-P energy: -151.012 bonds (distance) P-C4' energy: -163.937 flat angles C4'-P-C4' energy: -156.539 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -110.717 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: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1435.409011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.409011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.409011 (E_RNA) where: Base-Base interactions energy: -861.724 where: short stacking energy: -390.473 Base-Backbone interact. energy: 2.225 local terms energy: -575.910164 where: bonds (distance) C4'-P energy: -148.444 bonds (distance) P-C4' energy: -161.056 flat angles C4'-P-C4' energy: -146.444 flat angles P-C4'-P energy: -68.696 tors. eta vs tors. theta energy: -51.270 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: 246 Temperature: 1.300000 Total energy: -1176.556323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.556323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.556323 (E_RNA) where: Base-Base interactions energy: -632.036 where: short stacking energy: -340.303 Base-Backbone interact. energy: 3.146 local terms energy: -547.666492 where: bonds (distance) C4'-P energy: -158.233 bonds (distance) P-C4' energy: -146.233 flat angles C4'-P-C4' energy: -123.020 flat angles P-C4'-P energy: -88.658 tors. eta vs tors. theta energy: -31.521 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: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -688.958211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.958211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.958211 (E_RNA) where: Base-Base interactions energy: -261.559 where: short stacking energy: -182.408 Base-Backbone interact. energy: 2.023 local terms energy: -429.422287 where: bonds (distance) C4'-P energy: -142.471 bonds (distance) P-C4' energy: -151.649 flat angles C4'-P-C4' energy: -120.740 flat angles P-C4'-P energy: -73.316 tors. eta vs tors. theta energy: 58.754 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: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3019.340436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.340436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.340436 (E_RNA) where: Base-Base interactions energy: -2019.014 where: short stacking energy: -932.535 Base-Backbone interact. energy: -4.781 local terms energy: -995.545751 where: bonds (distance) C4'-P energy: -198.970 bonds (distance) P-C4' energy: -185.492 flat angles C4'-P-C4' energy: -208.829 flat angles P-C4'-P energy: -125.239 tors. eta vs tors. theta energy: -277.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2966.268526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.268526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.268526 (E_RNA) where: Base-Base interactions energy: -1999.640 where: short stacking energy: -873.498 Base-Backbone interact. energy: -6.079 local terms energy: -960.550325 where: bonds (distance) C4'-P energy: -181.718 bonds (distance) P-C4' energy: -181.019 flat angles C4'-P-C4' energy: -192.485 flat angles P-C4'-P energy: -132.482 tors. eta vs tors. theta energy: -272.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2753.357902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.357902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.357902 (E_RNA) where: Base-Base interactions energy: -1858.305 where: short stacking energy: -825.717 Base-Backbone interact. energy: -2.556 local terms energy: -892.497039 where: bonds (distance) C4'-P energy: -157.491 bonds (distance) P-C4' energy: -178.704 flat angles C4'-P-C4' energy: -190.177 flat angles P-C4'-P energy: -121.671 tors. eta vs tors. theta energy: -244.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2611.555728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.555728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.555728 (E_RNA) where: Base-Base interactions energy: -1756.444 where: short stacking energy: -752.033 Base-Backbone interact. energy: -2.089 local terms energy: -853.022854 where: bonds (distance) C4'-P energy: -164.639 bonds (distance) P-C4' energy: -178.938 flat angles C4'-P-C4' energy: -174.515 flat angles P-C4'-P energy: -120.077 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: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2565.700381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.700381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.700381 (E_RNA) where: Base-Base interactions energy: -1726.711 where: short stacking energy: -732.907 Base-Backbone interact. energy: -3.273 local terms energy: -835.716254 where: bonds (distance) C4'-P energy: -154.527 bonds (distance) P-C4' energy: -175.809 flat angles C4'-P-C4' energy: -188.777 flat angles P-C4'-P energy: -119.388 tors. eta vs tors. theta energy: -197.216 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: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1975.804481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.804481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.804481 (E_RNA) where: Base-Base interactions energy: -1255.278 where: short stacking energy: -578.091 Base-Backbone interact. energy: 6.867 local terms energy: -727.393054 where: bonds (distance) C4'-P energy: -165.888 bonds (distance) P-C4' energy: -164.922 flat angles C4'-P-C4' energy: -169.421 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -134.258 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: 7, replica: 5 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1775.904588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.904588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.904588 (E_RNA) where: Base-Base interactions energy: -1091.695 where: short stacking energy: -494.540 Base-Backbone interact. energy: 4.725 local terms energy: -688.934053 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -172.080 flat angles C4'-P-C4' energy: -169.541 flat angles P-C4'-P energy: -102.475 tors. eta vs tors. theta energy: -88.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1425.153266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.153266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.153266 (E_RNA) where: Base-Base interactions energy: -835.827 where: short stacking energy: -385.722 Base-Backbone interact. energy: -0.838 local terms energy: -588.488384 where: bonds (distance) C4'-P energy: -147.671 bonds (distance) P-C4' energy: -154.642 flat angles C4'-P-C4' energy: -147.420 flat angles P-C4'-P energy: -95.597 tors. eta vs tors. theta energy: -43.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1265.089777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.089777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.089777 (E_RNA) where: Base-Base interactions energy: -679.276 where: short stacking energy: -377.472 Base-Backbone interact. energy: 2.020 local terms energy: -587.833170 where: bonds (distance) C4'-P energy: -168.334 bonds (distance) P-C4' energy: -135.502 flat angles C4'-P-C4' energy: -154.025 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -53.695 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: 247 Temperature: 1.350000 Total energy: -717.549610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.549610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.549610 (E_RNA) where: Base-Base interactions energy: -252.159 where: short stacking energy: -189.193 Base-Backbone interact. energy: 3.594 local terms energy: -468.984345 where: bonds (distance) C4'-P energy: -158.503 bonds (distance) P-C4' energy: -147.680 flat angles C4'-P-C4' energy: -147.063 flat angles P-C4'-P energy: -48.634 tors. eta vs tors. theta energy: 32.897 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: 248 Temperature: 0.900000 Total energy: -3042.219212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.219212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.219212 (E_RNA) where: Base-Base interactions energy: -2045.374 where: short stacking energy: -903.281 Base-Backbone interact. energy: -3.775 local terms energy: -993.070253 where: bonds (distance) C4'-P energy: -173.170 bonds (distance) P-C4' energy: -199.112 flat angles C4'-P-C4' energy: -210.214 flat angles P-C4'-P energy: -147.397 tors. eta vs tors. theta energy: -263.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2931.007105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.007105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.007105 (E_RNA) where: Base-Base interactions energy: -1951.552 where: short stacking energy: -887.544 Base-Backbone interact. energy: -0.113 local terms energy: -979.342742 where: bonds (distance) C4'-P energy: -186.017 bonds (distance) P-C4' energy: -187.630 flat angles C4'-P-C4' energy: -202.818 flat angles P-C4'-P energy: -131.600 tors. eta vs tors. theta energy: -271.277 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: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2781.002736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.002736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.002736 (E_RNA) where: Base-Base interactions energy: -1876.027 where: short stacking energy: -786.423 Base-Backbone interact. energy: -2.507 local terms energy: -902.469016 where: bonds (distance) C4'-P energy: -156.535 bonds (distance) P-C4' energy: -196.186 flat angles C4'-P-C4' energy: -195.968 flat angles P-C4'-P energy: -110.251 tors. eta vs tors. theta energy: -243.529 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: 248 Temperature: 1.050000 Total energy: -2611.190008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.190008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.190008 (E_RNA) where: Base-Base interactions energy: -1769.048 where: short stacking energy: -763.548 Base-Backbone interact. energy: -5.725 local terms energy: -836.416547 where: bonds (distance) C4'-P energy: -157.912 bonds (distance) P-C4' energy: -166.396 flat angles C4'-P-C4' energy: -192.000 flat angles P-C4'-P energy: -109.729 tors. eta vs tors. theta energy: -210.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2468.413048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.413048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.413048 (E_RNA) where: Base-Base interactions energy: -1649.983 where: short stacking energy: -703.439 Base-Backbone interact. energy: 0.852 local terms energy: -819.281188 where: bonds (distance) C4'-P energy: -154.594 bonds (distance) P-C4' energy: -179.989 flat angles C4'-P-C4' energy: -159.406 flat angles P-C4'-P energy: -121.293 tors. eta vs tors. theta energy: -203.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2016.785862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.785862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.785862 (E_RNA) where: Base-Base interactions energy: -1303.949 where: short stacking energy: -578.470 Base-Backbone interact. energy: -4.763 local terms energy: -708.073689 where: bonds (distance) C4'-P energy: -130.080 bonds (distance) P-C4' energy: -157.142 flat angles C4'-P-C4' energy: -175.453 flat angles P-C4'-P energy: -107.369 tors. eta vs tors. theta energy: -138.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1731.861220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.861220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.861220 (E_RNA) where: Base-Base interactions energy: -1087.494 where: short stacking energy: -487.522 Base-Backbone interact. energy: 1.617 local terms energy: -645.983886 where: bonds (distance) C4'-P energy: -134.638 bonds (distance) P-C4' energy: -147.707 flat angles C4'-P-C4' energy: -164.626 flat angles P-C4'-P energy: -108.977 tors. eta vs tors. theta energy: -90.036 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: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1400.465238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.465238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.465238 (E_RNA) where: Base-Base interactions energy: -791.983 where: short stacking energy: -388.768 Base-Backbone interact. energy: 1.843 local terms energy: -610.325250 where: bonds (distance) C4'-P energy: -143.206 bonds (distance) P-C4' energy: -167.973 flat angles C4'-P-C4' energy: -142.709 flat angles P-C4'-P energy: -107.863 tors. eta vs tors. theta energy: -48.574 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: 248 Temperature: 1.300000 Total energy: -1211.236588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.236588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.236588 (E_RNA) where: Base-Base interactions energy: -692.436 where: short stacking energy: -375.624 Base-Backbone interact. energy: -4.370 local terms energy: -514.431191 where: bonds (distance) C4'-P energy: -132.769 bonds (distance) P-C4' energy: -151.500 flat angles C4'-P-C4' energy: -124.014 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: -27.312 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: 248 Temperature: 1.350000 Total energy: -660.576176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.576176 (E_RNA) where: Base-Base interactions energy: -194.543 where: short stacking energy: -151.730 Base-Backbone interact. energy: 0.062 local terms energy: -466.094548 where: bonds (distance) C4'-P energy: -125.389 bonds (distance) P-C4' energy: -159.804 flat angles C4'-P-C4' energy: -151.443 flat angles P-C4'-P energy: -72.246 tors. eta vs tors. theta energy: 42.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3090.309824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.309824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.309824 (E_RNA) where: Base-Base interactions energy: -2091.250 where: short stacking energy: -922.921 Base-Backbone interact. energy: -2.266 local terms energy: -996.794477 where: bonds (distance) C4'-P energy: -184.856 bonds (distance) P-C4' energy: -186.891 flat angles C4'-P-C4' energy: -214.642 flat angles P-C4'-P energy: -138.239 tors. eta vs tors. theta energy: -272.166 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: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2930.038174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.038174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.038174 (E_RNA) where: Base-Base interactions energy: -1946.968 where: short stacking energy: -888.741 Base-Backbone interact. energy: 1.697 local terms energy: -984.766920 where: bonds (distance) C4'-P energy: -189.229 bonds (distance) P-C4' energy: -181.472 flat angles C4'-P-C4' energy: -205.478 flat angles P-C4'-P energy: -134.187 tors. eta vs tors. theta energy: -274.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2774.688292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.688292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.688292 (E_RNA) where: Base-Base interactions energy: -1862.369 where: short stacking energy: -832.034 Base-Backbone interact. energy: -2.695 local terms energy: -909.624220 where: bonds (distance) C4'-P energy: -161.340 bonds (distance) P-C4' energy: -181.697 flat angles C4'-P-C4' energy: -200.400 flat angles P-C4'-P energy: -110.335 tors. eta vs tors. theta energy: -255.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2617.249058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.249058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.249058 (E_RNA) where: Base-Base interactions energy: -1792.733 where: short stacking energy: -732.432 Base-Backbone interact. energy: -0.084 local terms energy: -824.432904 where: bonds (distance) C4'-P energy: -143.567 bonds (distance) P-C4' energy: -160.160 flat angles C4'-P-C4' energy: -197.013 flat angles P-C4'-P energy: -112.462 tors. eta vs tors. theta energy: -211.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2484.990341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.990341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.990341 (E_RNA) where: Base-Base interactions energy: -1636.849 where: short stacking energy: -732.750 Base-Backbone interact. energy: -0.216 local terms energy: -847.925322 where: bonds (distance) C4'-P energy: -151.623 bonds (distance) P-C4' energy: -162.913 flat angles C4'-P-C4' energy: -196.045 flat angles P-C4'-P energy: -126.950 tors. eta vs tors. theta energy: -210.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1991.466798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.466798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.466798 (E_RNA) where: Base-Base interactions energy: -1243.375 where: short stacking energy: -598.278 Base-Backbone interact. energy: -3.784 local terms energy: -744.308177 where: bonds (distance) C4'-P energy: -154.416 bonds (distance) P-C4' energy: -139.109 flat angles C4'-P-C4' energy: -171.798 flat angles P-C4'-P energy: -114.376 tors. eta vs tors. theta energy: -164.610 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: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1815.619318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.619318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.619318 (E_RNA) where: Base-Base interactions energy: -1156.324 where: short stacking energy: -547.839 Base-Backbone interact. energy: -1.471 local terms energy: -657.824925 where: bonds (distance) C4'-P energy: -148.154 bonds (distance) P-C4' energy: -138.032 flat angles C4'-P-C4' energy: -165.655 flat angles P-C4'-P energy: -96.462 tors. eta vs tors. theta energy: -109.522 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: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1416.483965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.483965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.483965 (E_RNA) where: Base-Base interactions energy: -786.916 where: short stacking energy: -342.782 Base-Backbone interact. energy: -5.266 local terms energy: -624.302224 where: bonds (distance) C4'-P energy: -162.778 bonds (distance) P-C4' energy: -165.049 flat angles C4'-P-C4' energy: -169.815 flat angles P-C4'-P energy: -97.804 tors. eta vs tors. theta energy: -28.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1206.247583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.247583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.247583 (E_RNA) where: Base-Base interactions energy: -669.693 where: short stacking energy: -336.496 Base-Backbone interact. energy: 4.514 local terms energy: -541.068536 where: bonds (distance) C4'-P energy: -130.886 bonds (distance) P-C4' energy: -146.863 flat angles C4'-P-C4' energy: -143.855 flat angles P-C4'-P energy: -84.781 tors. eta vs tors. theta energy: -34.683 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: 249 Temperature: 1.350000 Total energy: -677.548011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.548011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.548011 (E_RNA) where: Base-Base interactions energy: -221.839 where: short stacking energy: -179.200 Base-Backbone interact. energy: 2.899 local terms energy: -458.608083 where: bonds (distance) C4'-P energy: -156.586 bonds (distance) P-C4' energy: -158.309 flat angles C4'-P-C4' energy: -95.391 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: 14.737 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: 250 Temperature: 0.900000 Total energy: -3087.454185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.454185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.454185 (E_RNA) where: Base-Base interactions energy: -2091.339 where: short stacking energy: -928.412 Base-Backbone interact. energy: 1.918 local terms energy: -998.032913 where: bonds (distance) C4'-P energy: -172.080 bonds (distance) P-C4' energy: -189.189 flat angles C4'-P-C4' energy: -202.028 flat angles P-C4'-P energy: -151.235 tors. eta vs tors. theta energy: -283.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2905.560982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.560982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.560982 (E_RNA) where: Base-Base interactions energy: -1941.202 where: short stacking energy: -865.975 Base-Backbone interact. energy: -2.429 local terms energy: -961.930087 where: bonds (distance) C4'-P energy: -194.235 bonds (distance) P-C4' energy: -182.257 flat angles C4'-P-C4' energy: -190.376 flat angles P-C4'-P energy: -131.833 tors. eta vs tors. theta energy: -263.229 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: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2766.183098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.183098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.183098 (E_RNA) where: Base-Base interactions energy: -1854.062 where: short stacking energy: -821.001 Base-Backbone interact. energy: -3.402 local terms energy: -908.718825 where: bonds (distance) C4'-P energy: -167.752 bonds (distance) P-C4' energy: -187.952 flat angles C4'-P-C4' energy: -187.014 flat angles P-C4'-P energy: -115.987 tors. eta vs tors. theta energy: -250.014 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: 250 Temperature: 1.050000 Total energy: -2680.720208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.720208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.720208 (E_RNA) where: Base-Base interactions energy: -1801.214 where: short stacking energy: -770.399 Base-Backbone interact. energy: -4.587 local terms energy: -874.918955 where: bonds (distance) C4'-P energy: -178.569 bonds (distance) P-C4' energy: -173.449 flat angles C4'-P-C4' energy: -185.882 flat angles P-C4'-P energy: -117.932 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: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2498.138462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.138462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.138462 (E_RNA) where: Base-Base interactions energy: -1673.082 where: short stacking energy: -714.340 Base-Backbone interact. energy: -0.286 local terms energy: -824.771272 where: bonds (distance) C4'-P energy: -164.702 bonds (distance) P-C4' energy: -154.501 flat angles C4'-P-C4' energy: -167.819 flat angles P-C4'-P energy: -122.223 tors. eta vs tors. theta energy: -215.527 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: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1951.775257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.775257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.775257 (E_RNA) where: Base-Base interactions energy: -1257.317 where: short stacking energy: -568.116 Base-Backbone interact. energy: -2.891 local terms energy: -691.567198 where: bonds (distance) C4'-P energy: -149.808 bonds (distance) P-C4' energy: -150.371 flat angles C4'-P-C4' energy: -169.361 flat angles P-C4'-P energy: -94.970 tors. eta vs tors. theta energy: -127.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1854.360642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.360642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.360642 (E_RNA) where: Base-Base interactions energy: -1168.555 where: short stacking energy: -529.790 Base-Backbone interact. energy: 0.382 local terms energy: -686.187313 where: bonds (distance) C4'-P energy: -167.458 bonds (distance) P-C4' energy: -156.824 flat angles C4'-P-C4' energy: -157.664 flat angles P-C4'-P energy: -104.067 tors. eta vs tors. theta energy: -100.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1402.866889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.866889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.866889 (E_RNA) where: Base-Base interactions energy: -777.599 where: short stacking energy: -385.847 Base-Backbone interact. energy: -4.170 local terms energy: -621.097707 where: bonds (distance) C4'-P energy: -167.773 bonds (distance) P-C4' energy: -162.416 flat angles C4'-P-C4' energy: -142.760 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -72.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1239.189084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.189084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.189084 (E_RNA) where: Base-Base interactions energy: -663.624 where: short stacking energy: -356.868 Base-Backbone interact. energy: -1.997 local terms energy: -573.567515 where: bonds (distance) C4'-P energy: -148.381 bonds (distance) P-C4' energy: -172.803 flat angles C4'-P-C4' energy: -134.121 flat angles P-C4'-P energy: -87.498 tors. eta vs tors. theta energy: -30.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -677.424761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.424761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.424761 (E_RNA) where: Base-Base interactions energy: -222.084 where: short stacking energy: -177.085 Base-Backbone interact. energy: -0.487 local terms energy: -454.853907 where: bonds (distance) C4'-P energy: -143.051 bonds (distance) P-C4' energy: -149.441 flat angles C4'-P-C4' energy: -113.868 flat angles P-C4'-P energy: -75.108 tors. eta vs tors. theta energy: 26.614 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: 251 Temperature: 0.900000 Total energy: -3055.552361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.552361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.552361 (E_RNA) where: Base-Base interactions energy: -2081.611 where: short stacking energy: -895.779 Base-Backbone interact. energy: -4.112 local terms energy: -969.829521 where: bonds (distance) C4'-P energy: -183.639 bonds (distance) P-C4' energy: -187.517 flat angles C4'-P-C4' energy: -208.426 flat angles P-C4'-P energy: -117.640 tors. eta vs tors. theta energy: -272.607 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: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2877.150541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.150541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.150541 (E_RNA) where: Base-Base interactions energy: -1935.487 where: short stacking energy: -867.096 Base-Backbone interact. energy: -2.529 local terms energy: -939.133847 where: bonds (distance) C4'-P energy: -169.013 bonds (distance) P-C4' energy: -178.910 flat angles C4'-P-C4' energy: -204.076 flat angles P-C4'-P energy: -131.794 tors. eta vs tors. theta energy: -255.341 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: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2772.506854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.506854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.506854 (E_RNA) where: Base-Base interactions energy: -1850.505 where: short stacking energy: -846.573 Base-Backbone interact. energy: -3.408 local terms energy: -918.593916 where: bonds (distance) C4'-P energy: -155.741 bonds (distance) P-C4' energy: -167.168 flat angles C4'-P-C4' energy: -198.221 flat angles P-C4'-P energy: -144.915 tors. eta vs tors. theta energy: -252.548 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: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2685.300014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.300014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.300014 (E_RNA) where: Base-Base interactions energy: -1818.708 where: short stacking energy: -779.097 Base-Backbone interact. energy: 4.977 local terms energy: -871.569157 where: bonds (distance) C4'-P energy: -154.944 bonds (distance) P-C4' energy: -176.904 flat angles C4'-P-C4' energy: -189.960 flat angles P-C4'-P energy: -118.586 tors. eta vs tors. theta energy: -231.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2488.804426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.804426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.804426 (E_RNA) where: Base-Base interactions energy: -1640.456 where: short stacking energy: -723.940 Base-Backbone interact. energy: -1.532 local terms energy: -846.817015 where: bonds (distance) C4'-P energy: -169.609 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -195.303 flat angles P-C4'-P energy: -125.026 tors. eta vs tors. theta energy: -197.783 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: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1966.826155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.826155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.826155 (E_RNA) where: Base-Base interactions energy: -1259.559 where: short stacking energy: -553.071 Base-Backbone interact. energy: -5.920 local terms energy: -701.347416 where: bonds (distance) C4'-P energy: -142.226 bonds (distance) P-C4' energy: -168.943 flat angles C4'-P-C4' energy: -184.822 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -112.986 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: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1645.000527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.000527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.000527 (E_RNA) where: Base-Base interactions energy: -997.462 where: short stacking energy: -471.720 Base-Backbone interact. energy: -4.579 local terms energy: -642.959249 where: bonds (distance) C4'-P energy: -149.061 bonds (distance) P-C4' energy: -164.769 flat angles C4'-P-C4' energy: -149.527 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -75.286 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: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1451.662113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.662113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.662113 (E_RNA) where: Base-Base interactions energy: -876.374 where: short stacking energy: -408.735 Base-Backbone interact. energy: -0.658 local terms energy: -574.630682 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -161.227 flat angles C4'-P-C4' energy: -140.447 flat angles P-C4'-P energy: -90.663 tors. eta vs tors. theta energy: -45.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1268.724162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.724162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.724162 (E_RNA) where: Base-Base interactions energy: -668.633 where: short stacking energy: -332.809 Base-Backbone interact. energy: 0.992 local terms energy: -601.083622 where: bonds (distance) C4'-P energy: -157.400 bonds (distance) P-C4' energy: -159.093 flat angles C4'-P-C4' energy: -155.848 flat angles P-C4'-P energy: -85.078 tors. eta vs tors. theta energy: -43.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -694.813928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.813928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.813928 (E_RNA) where: Base-Base interactions energy: -299.983 where: short stacking energy: -179.360 Base-Backbone interact. energy: 7.904 local terms energy: -402.734670 where: bonds (distance) C4'-P energy: -147.626 bonds (distance) P-C4' energy: -145.193 flat angles C4'-P-C4' energy: -106.089 flat angles P-C4'-P energy: -60.515 tors. eta vs tors. theta energy: 56.689 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: 252 Temperature: 0.900000 Total energy: -3053.076061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.076061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.076061 (E_RNA) where: Base-Base interactions energy: -2075.671 where: short stacking energy: -932.209 Base-Backbone interact. energy: -0.671 local terms energy: -976.733627 where: bonds (distance) C4'-P energy: -161.050 bonds (distance) P-C4' energy: -196.370 flat angles C4'-P-C4' energy: -208.058 flat angles P-C4'-P energy: -128.629 tors. eta vs tors. theta energy: -282.627 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: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2925.152000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.152000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.152000 (E_RNA) where: Base-Base interactions energy: -1947.008 where: short stacking energy: -872.452 Base-Backbone interact. energy: -2.365 local terms energy: -975.779787 where: bonds (distance) C4'-P energy: -188.431 bonds (distance) P-C4' energy: -195.969 flat angles C4'-P-C4' energy: -205.108 flat angles P-C4'-P energy: -129.324 tors. eta vs tors. theta energy: -256.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2792.722558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.722558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.722558 (E_RNA) where: Base-Base interactions energy: -1854.256 where: short stacking energy: -824.843 Base-Backbone interact. energy: -0.658 local terms energy: -937.808445 where: bonds (distance) C4'-P energy: -197.925 bonds (distance) P-C4' energy: -158.339 flat angles C4'-P-C4' energy: -191.299 flat angles P-C4'-P energy: -127.787 tors. eta vs tors. theta energy: -262.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2721.550148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.550148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.550148 (E_RNA) where: Base-Base interactions energy: -1877.625 where: short stacking energy: -831.810 Base-Backbone interact. energy: -0.944 local terms energy: -842.981398 where: bonds (distance) C4'-P energy: -152.012 bonds (distance) P-C4' energy: -167.239 flat angles C4'-P-C4' energy: -180.214 flat angles P-C4'-P energy: -122.810 tors. eta vs tors. theta energy: -220.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2482.756532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.756532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.756532 (E_RNA) where: Base-Base interactions energy: -1657.039 where: short stacking energy: -699.301 Base-Backbone interact. energy: -2.925 local terms energy: -822.792679 where: bonds (distance) C4'-P energy: -171.090 bonds (distance) P-C4' energy: -160.061 flat angles C4'-P-C4' energy: -180.669 flat angles P-C4'-P energy: -119.219 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: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1899.219882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.219882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.219882 (E_RNA) where: Base-Base interactions energy: -1199.773 where: short stacking energy: -551.562 Base-Backbone interact. energy: -5.656 local terms energy: -693.791639 where: bonds (distance) C4'-P energy: -149.891 bonds (distance) P-C4' energy: -146.720 flat angles C4'-P-C4' energy: -154.015 flat angles P-C4'-P energy: -99.768 tors. eta vs tors. theta energy: -143.397 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: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1820.236208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.236208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.236208 (E_RNA) where: Base-Base interactions energy: -1140.890 where: short stacking energy: -558.296 Base-Backbone interact. energy: 3.745 local terms energy: -683.091007 where: bonds (distance) C4'-P energy: -164.691 bonds (distance) P-C4' energy: -160.155 flat angles C4'-P-C4' energy: -157.399 flat angles P-C4'-P energy: -81.240 tors. eta vs tors. theta energy: -119.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1400.810049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.810049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.810049 (E_RNA) where: Base-Base interactions energy: -812.980 where: short stacking energy: -389.860 Base-Backbone interact. energy: -0.229 local terms energy: -587.601321 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -154.756 flat angles C4'-P-C4' energy: -138.235 flat angles P-C4'-P energy: -105.744 tors. eta vs tors. theta energy: -41.188 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: 252 Temperature: 1.300000 Total energy: -1298.022769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.022769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.022769 (E_RNA) where: Base-Base interactions energy: -730.757 where: short stacking energy: -370.144 Base-Backbone interact. energy: -1.543 local terms energy: -565.722283 where: bonds (distance) C4'-P energy: -150.645 bonds (distance) P-C4' energy: -150.804 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -87.695 tors. eta vs tors. theta energy: -65.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -705.430390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.430390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.430390 (E_RNA) where: Base-Base interactions energy: -262.025 where: short stacking energy: -173.223 Base-Backbone interact. energy: 1.435 local terms energy: -444.840682 where: bonds (distance) C4'-P energy: -137.129 bonds (distance) P-C4' energy: -162.534 flat angles C4'-P-C4' energy: -124.664 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: 48.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3063.044612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.044612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.044612 (E_RNA) where: Base-Base interactions energy: -2065.070 where: short stacking energy: -907.722 Base-Backbone interact. energy: -5.247 local terms energy: -992.727781 where: bonds (distance) C4'-P energy: -199.950 bonds (distance) P-C4' energy: -180.493 flat angles C4'-P-C4' energy: -206.754 flat angles P-C4'-P energy: -138.756 tors. eta vs tors. theta energy: -266.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2924.803123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.803123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.803123 (E_RNA) where: Base-Base interactions energy: -1951.980 where: short stacking energy: -900.792 Base-Backbone interact. energy: -1.902 local terms energy: -970.921678 where: bonds (distance) C4'-P energy: -191.621 bonds (distance) P-C4' energy: -180.063 flat angles C4'-P-C4' energy: -202.081 flat angles P-C4'-P energy: -131.949 tors. eta vs tors. theta energy: -265.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2755.201789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.201789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.201789 (E_RNA) where: Base-Base interactions energy: -1855.186 where: short stacking energy: -816.834 Base-Backbone interact. energy: -5.815 local terms energy: -894.201255 where: bonds (distance) C4'-P energy: -174.284 bonds (distance) P-C4' energy: -175.426 flat angles C4'-P-C4' energy: -182.973 flat angles P-C4'-P energy: -110.187 tors. eta vs tors. theta energy: -251.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2737.966333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.966333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.966333 (E_RNA) where: Base-Base interactions energy: -1842.808 where: short stacking energy: -754.126 Base-Backbone interact. energy: -2.242 local terms energy: -892.915519 where: bonds (distance) C4'-P energy: -166.862 bonds (distance) P-C4' energy: -173.859 flat angles C4'-P-C4' energy: -190.382 flat angles P-C4'-P energy: -133.164 tors. eta vs tors. theta energy: -228.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2447.361686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.361686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.361686 (E_RNA) where: Base-Base interactions energy: -1640.489 where: short stacking energy: -706.934 Base-Backbone interact. energy: -1.241 local terms energy: -805.631839 where: bonds (distance) C4'-P energy: -159.244 bonds (distance) P-C4' energy: -147.570 flat angles C4'-P-C4' energy: -184.278 flat angles P-C4'-P energy: -112.862 tors. eta vs tors. theta energy: -201.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1879.426060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.426060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.426060 (E_RNA) where: Base-Base interactions energy: -1184.851 where: short stacking energy: -573.260 Base-Backbone interact. energy: 0.301 local terms energy: -694.876233 where: bonds (distance) C4'-P energy: -142.422 bonds (distance) P-C4' energy: -159.513 flat angles C4'-P-C4' energy: -161.249 flat angles P-C4'-P energy: -96.828 tors. eta vs tors. theta energy: -134.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1793.547757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.547757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.547757 (E_RNA) where: Base-Base interactions energy: -1117.131 where: short stacking energy: -527.156 Base-Backbone interact. energy: 1.014 local terms energy: -677.430923 where: bonds (distance) C4'-P energy: -155.956 bonds (distance) P-C4' energy: -157.423 flat angles C4'-P-C4' energy: -153.126 flat angles P-C4'-P energy: -99.559 tors. eta vs tors. theta energy: -111.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1351.395912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.395912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.395912 (E_RNA) where: Base-Base interactions energy: -777.075 where: short stacking energy: -376.386 Base-Backbone interact. energy: -2.794 local terms energy: -571.527403 where: bonds (distance) C4'-P energy: -156.347 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -134.389 flat angles P-C4'-P energy: -74.740 tors. eta vs tors. theta energy: -39.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1275.972893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.972893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.972893 (E_RNA) where: Base-Base interactions energy: -731.785 where: short stacking energy: -354.401 Base-Backbone interact. energy: 4.595 local terms energy: -548.783095 where: bonds (distance) C4'-P energy: -133.050 bonds (distance) P-C4' energy: -157.100 flat angles C4'-P-C4' energy: -136.126 flat angles P-C4'-P energy: -79.192 tors. eta vs tors. theta energy: -43.315 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: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -696.886079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.886079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.886079 (E_RNA) where: Base-Base interactions energy: -240.400 where: short stacking energy: -176.995 Base-Backbone interact. energy: -2.910 local terms energy: -453.576259 where: bonds (distance) C4'-P energy: -132.445 bonds (distance) P-C4' energy: -160.279 flat angles C4'-P-C4' energy: -138.912 flat angles P-C4'-P energy: -86.291 tors. eta vs tors. theta energy: 64.350 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: 254 Temperature: 0.900000 Total energy: -3045.013525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.013525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.013525 (E_RNA) where: Base-Base interactions energy: -2077.393 where: short stacking energy: -916.880 Base-Backbone interact. energy: -3.912 local terms energy: -963.708320 where: bonds (distance) C4'-P energy: -183.317 bonds (distance) P-C4' energy: -178.908 flat angles C4'-P-C4' energy: -203.551 flat angles P-C4'-P energy: -133.766 tors. eta vs tors. theta energy: -264.166 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: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2921.351125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.351125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.351125 (E_RNA) where: Base-Base interactions energy: -1935.019 where: short stacking energy: -862.441 Base-Backbone interact. energy: -1.538 local terms energy: -984.793849 where: bonds (distance) C4'-P energy: -182.460 bonds (distance) P-C4' energy: -185.168 flat angles C4'-P-C4' energy: -204.316 flat angles P-C4'-P energy: -142.331 tors. eta vs tors. theta energy: -270.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2780.441746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.441746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.441746 (E_RNA) where: Base-Base interactions energy: -1860.159 where: short stacking energy: -838.850 Base-Backbone interact. energy: -3.892 local terms energy: -916.391220 where: bonds (distance) C4'-P energy: -175.803 bonds (distance) P-C4' energy: -182.643 flat angles C4'-P-C4' energy: -182.770 flat angles P-C4'-P energy: -128.280 tors. eta vs tors. theta energy: -246.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2770.347183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.347183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.347183 (E_RNA) where: Base-Base interactions energy: -1911.855 where: short stacking energy: -809.005 Base-Backbone interact. energy: -2.791 local terms energy: -855.700986 where: bonds (distance) C4'-P energy: -130.913 bonds (distance) P-C4' energy: -170.535 flat angles C4'-P-C4' energy: -195.444 flat angles P-C4'-P energy: -118.728 tors. eta vs tors. theta energy: -240.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2447.584603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.584603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.584603 (E_RNA) where: Base-Base interactions energy: -1636.625 where: short stacking energy: -715.901 Base-Backbone interact. energy: 8.517 local terms energy: -819.476862 where: bonds (distance) C4'-P energy: -164.686 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -180.536 flat angles P-C4'-P energy: -120.400 tors. eta vs tors. theta energy: -194.547 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: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1931.694078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.694078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.694078 (E_RNA) where: Base-Base interactions energy: -1242.889 where: short stacking energy: -570.381 Base-Backbone interact. energy: -1.669 local terms energy: -687.135486 where: bonds (distance) C4'-P energy: -154.157 bonds (distance) P-C4' energy: -136.284 flat angles C4'-P-C4' energy: -168.912 flat angles P-C4'-P energy: -92.716 tors. eta vs tors. theta energy: -135.067 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: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1824.221812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.221812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.221812 (E_RNA) where: Base-Base interactions energy: -1156.175 where: short stacking energy: -539.726 Base-Backbone interact. energy: 3.376 local terms energy: -671.422244 where: bonds (distance) C4'-P energy: -140.997 bonds (distance) P-C4' energy: -153.551 flat angles C4'-P-C4' energy: -166.264 flat angles P-C4'-P energy: -101.413 tors. eta vs tors. theta energy: -109.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1352.739009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.739009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.739009 (E_RNA) where: Base-Base interactions energy: -768.905 where: short stacking energy: -376.654 Base-Backbone interact. energy: -1.028 local terms energy: -582.805147 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -139.115 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -90.037 tors. eta vs tors. theta energy: -56.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1259.372148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.372148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.372148 (E_RNA) where: Base-Base interactions energy: -701.136 where: short stacking energy: -356.223 Base-Backbone interact. energy: -0.515 local terms energy: -557.721256 where: bonds (distance) C4'-P energy: -145.347 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -128.522 flat angles P-C4'-P energy: -80.054 tors. eta vs tors. theta energy: -52.620 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: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -727.437784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.437784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.437784 (E_RNA) where: Base-Base interactions energy: -294.241 where: short stacking energy: -197.195 Base-Backbone interact. energy: 6.393 local terms energy: -439.589707 where: bonds (distance) C4'-P energy: -161.473 bonds (distance) P-C4' energy: -138.047 flat angles C4'-P-C4' energy: -117.083 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: 46.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3041.693402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.693402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.693402 (E_RNA) where: Base-Base interactions energy: -2056.864 where: short stacking energy: -916.243 Base-Backbone interact. energy: -6.067 local terms energy: -978.762599 where: bonds (distance) C4'-P energy: -182.266 bonds (distance) P-C4' energy: -181.142 flat angles C4'-P-C4' energy: -206.864 flat angles P-C4'-P energy: -142.864 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2943.366338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.366338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.366338 (E_RNA) where: Base-Base interactions energy: -1990.666 where: short stacking energy: -872.720 Base-Backbone interact. energy: -0.664 local terms energy: -952.036750 where: bonds (distance) C4'-P energy: -183.973 bonds (distance) P-C4' energy: -174.633 flat angles C4'-P-C4' energy: -188.619 flat angles P-C4'-P energy: -132.031 tors. eta vs tors. theta energy: -272.781 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: 255 Temperature: 1.000000 Total energy: -2737.062453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.062453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.062453 (E_RNA) where: Base-Base interactions energy: -1821.976 where: short stacking energy: -825.360 Base-Backbone interact. energy: -6.505 local terms energy: -908.581736 where: bonds (distance) C4'-P energy: -175.266 bonds (distance) P-C4' energy: -166.844 flat angles C4'-P-C4' energy: -190.683 flat angles P-C4'-P energy: -126.392 tors. eta vs tors. theta energy: -249.397 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: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2731.449459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.449459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.449459 (E_RNA) where: Base-Base interactions energy: -1880.353 where: short stacking energy: -840.701 Base-Backbone interact. energy: -1.748 local terms energy: -849.348554 where: bonds (distance) C4'-P energy: -130.401 bonds (distance) P-C4' energy: -163.980 flat angles C4'-P-C4' energy: -179.794 flat angles P-C4'-P energy: -127.845 tors. eta vs tors. theta energy: -247.328 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: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2481.976766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.976766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.976766 (E_RNA) where: Base-Base interactions energy: -1642.058 where: short stacking energy: -708.515 Base-Backbone interact. energy: 0.109 local terms energy: -840.027932 where: bonds (distance) C4'-P energy: -165.080 bonds (distance) P-C4' energy: -183.289 flat angles C4'-P-C4' energy: -188.175 flat angles P-C4'-P energy: -124.885 tors. eta vs tors. theta energy: -178.599 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: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1987.749052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.749052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.749052 (E_RNA) where: Base-Base interactions energy: -1245.583 where: short stacking energy: -597.792 Base-Backbone interact. energy: -6.141 local terms energy: -736.025716 where: bonds (distance) C4'-P energy: -141.459 bonds (distance) P-C4' energy: -158.204 flat angles C4'-P-C4' energy: -160.334 flat angles P-C4'-P energy: -118.859 tors. eta vs tors. theta energy: -157.170 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: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1799.296867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.296867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.296867 (E_RNA) where: Base-Base interactions energy: -1089.264 where: short stacking energy: -465.232 Base-Backbone interact. energy: 0.294 local terms energy: -710.327338 where: bonds (distance) C4'-P energy: -172.392 bonds (distance) P-C4' energy: -165.763 flat angles C4'-P-C4' energy: -158.343 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -114.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1349.656238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.656238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.656238 (E_RNA) where: Base-Base interactions energy: -788.565 where: short stacking energy: -434.694 Base-Backbone interact. energy: 1.062 local terms energy: -562.154069 where: bonds (distance) C4'-P energy: -141.904 bonds (distance) P-C4' energy: -151.299 flat angles C4'-P-C4' energy: -128.210 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -55.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1273.991013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.991013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.991013 (E_RNA) where: Base-Base interactions energy: -710.679 where: short stacking energy: -331.419 Base-Backbone interact. energy: 0.634 local terms energy: -563.946123 where: bonds (distance) C4'-P energy: -131.243 bonds (distance) P-C4' energy: -158.744 flat angles C4'-P-C4' energy: -144.265 flat angles P-C4'-P energy: -81.429 tors. eta vs tors. theta energy: -48.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -699.679973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.679973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.679973 (E_RNA) where: Base-Base interactions energy: -212.725 where: short stacking energy: -197.453 Base-Backbone interact. energy: -0.583 local terms energy: -486.372047 where: bonds (distance) C4'-P energy: -144.033 bonds (distance) P-C4' energy: -142.054 flat angles C4'-P-C4' energy: -139.795 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: 18.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3067.498348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.498348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.498348 (E_RNA) where: Base-Base interactions energy: -2076.742 where: short stacking energy: -937.623 Base-Backbone interact. energy: 2.307 local terms energy: -993.063627 where: bonds (distance) C4'-P energy: -167.551 bonds (distance) P-C4' energy: -197.432 flat angles C4'-P-C4' energy: -212.656 flat angles P-C4'-P energy: -135.797 tors. eta vs tors. theta energy: -279.628 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: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2928.052593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.052593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.052593 (E_RNA) where: Base-Base interactions energy: -1979.255 where: short stacking energy: -882.075 Base-Backbone interact. energy: 2.488 local terms energy: -951.285736 where: bonds (distance) C4'-P energy: -177.167 bonds (distance) P-C4' energy: -180.307 flat angles C4'-P-C4' energy: -209.771 flat angles P-C4'-P energy: -125.578 tors. eta vs tors. theta energy: -258.463 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: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2853.299600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.299600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.299600 (E_RNA) where: Base-Base interactions energy: -1910.972 where: short stacking energy: -842.509 Base-Backbone interact. energy: -4.023 local terms energy: -938.305162 where: bonds (distance) C4'-P energy: -175.741 bonds (distance) P-C4' energy: -171.646 flat angles C4'-P-C4' energy: -207.467 flat angles P-C4'-P energy: -126.049 tors. eta vs tors. theta energy: -257.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2645.010317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.010317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.010317 (E_RNA) where: Base-Base interactions energy: -1788.717 where: short stacking energy: -780.937 Base-Backbone interact. energy: -4.879 local terms energy: -851.413920 where: bonds (distance) C4'-P energy: -160.869 bonds (distance) P-C4' energy: -160.704 flat angles C4'-P-C4' energy: -176.607 flat angles P-C4'-P energy: -116.608 tors. eta vs tors. theta energy: -236.627 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2426.827326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.827326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.827326 (E_RNA) where: Base-Base interactions energy: -1594.736 where: short stacking energy: -729.493 Base-Backbone interact. energy: -0.446 local terms energy: -831.645818 where: bonds (distance) C4'-P energy: -149.864 bonds (distance) P-C4' energy: -173.580 flat angles C4'-P-C4' energy: -177.406 flat angles P-C4'-P energy: -132.801 tors. eta vs tors. theta energy: -197.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1920.240202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.240202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.240202 (E_RNA) where: Base-Base interactions energy: -1217.649 where: short stacking energy: -550.726 Base-Backbone interact. energy: -0.458 local terms energy: -702.133326 where: bonds (distance) C4'-P energy: -150.452 bonds (distance) P-C4' energy: -155.514 flat angles C4'-P-C4' energy: -177.092 flat angles P-C4'-P energy: -108.960 tors. eta vs tors. theta energy: -110.115 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: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1795.716533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.716533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.716533 (E_RNA) where: Base-Base interactions energy: -1127.618 where: short stacking energy: -488.318 Base-Backbone interact. energy: 2.006 local terms energy: -670.103924 where: bonds (distance) C4'-P energy: -154.021 bonds (distance) P-C4' energy: -167.731 flat angles C4'-P-C4' energy: -152.906 flat angles P-C4'-P energy: -103.082 tors. eta vs tors. theta energy: -92.364 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: 8, replica: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1381.917670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.917670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.917670 (E_RNA) where: Base-Base interactions energy: -787.457 where: short stacking energy: -409.599 Base-Backbone interact. energy: 0.711 local terms energy: -595.172236 where: bonds (distance) C4'-P energy: -140.070 bonds (distance) P-C4' energy: -151.064 flat angles C4'-P-C4' energy: -147.498 flat angles P-C4'-P energy: -94.785 tors. eta vs tors. theta energy: -61.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1253.755019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.755019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.755019 (E_RNA) where: Base-Base interactions energy: -700.933 where: short stacking energy: -334.251 Base-Backbone interact. energy: 0.689 local terms energy: -553.511767 where: bonds (distance) C4'-P energy: -136.891 bonds (distance) P-C4' energy: -170.382 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -75.439 tors. eta vs tors. theta energy: -33.008 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: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -665.728574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.728574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.728574 (E_RNA) where: Base-Base interactions energy: -221.757 where: short stacking energy: -201.001 Base-Backbone interact. energy: 2.492 local terms energy: -446.463590 where: bonds (distance) C4'-P energy: -133.704 bonds (distance) P-C4' energy: -149.797 flat angles C4'-P-C4' energy: -118.449 flat angles P-C4'-P energy: -68.270 tors. eta vs tors. theta energy: 23.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3071.945693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.945693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.945693 (E_RNA) where: Base-Base interactions energy: -2111.714 where: short stacking energy: -940.653 Base-Backbone interact. energy: 0.143 local terms energy: -960.373815 where: bonds (distance) C4'-P energy: -160.072 bonds (distance) P-C4' energy: -180.823 flat angles C4'-P-C4' energy: -218.198 flat angles P-C4'-P energy: -126.188 tors. eta vs tors. theta energy: -275.093 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: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2880.479531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.479531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.479531 (E_RNA) where: Base-Base interactions energy: -1919.787 where: short stacking energy: -874.616 Base-Backbone interact. energy: 1.144 local terms energy: -961.837064 where: bonds (distance) C4'-P energy: -175.812 bonds (distance) P-C4' energy: -178.764 flat angles C4'-P-C4' energy: -203.945 flat angles P-C4'-P energy: -134.747 tors. eta vs tors. theta energy: -268.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2845.494032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.494032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.494032 (E_RNA) where: Base-Base interactions energy: -1931.492 where: short stacking energy: -824.410 Base-Backbone interact. energy: 4.029 local terms energy: -918.030822 where: bonds (distance) C4'-P energy: -169.385 bonds (distance) P-C4' energy: -172.420 flat angles C4'-P-C4' energy: -201.536 flat angles P-C4'-P energy: -125.568 tors. eta vs tors. theta energy: -249.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2624.419444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.419444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.419444 (E_RNA) where: Base-Base interactions energy: -1744.100 where: short stacking energy: -784.533 Base-Backbone interact. energy: -1.596 local terms energy: -878.722727 where: bonds (distance) C4'-P energy: -146.825 bonds (distance) P-C4' energy: -173.761 flat angles C4'-P-C4' energy: -196.541 flat angles P-C4'-P energy: -130.433 tors. eta vs tors. theta energy: -231.163 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: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2439.997606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.997606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.997606 (E_RNA) where: Base-Base interactions energy: -1640.556 where: short stacking energy: -732.047 Base-Backbone interact. energy: 0.390 local terms energy: -799.831474 where: bonds (distance) C4'-P energy: -130.616 bonds (distance) P-C4' energy: -158.446 flat angles C4'-P-C4' energy: -177.907 flat angles P-C4'-P energy: -134.557 tors. eta vs tors. theta energy: -198.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1959.521347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.521347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.521347 (E_RNA) where: Base-Base interactions energy: -1253.690 where: short stacking energy: -581.964 Base-Backbone interact. energy: -1.279 local terms energy: -704.552404 where: bonds (distance) C4'-P energy: -140.612 bonds (distance) P-C4' energy: -163.233 flat angles C4'-P-C4' energy: -171.579 flat angles P-C4'-P energy: -96.377 tors. eta vs tors. theta energy: -132.751 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: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1762.051913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.051913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.051913 (E_RNA) where: Base-Base interactions energy: -1121.103 where: short stacking energy: -527.398 Base-Backbone interact. energy: 2.990 local terms energy: -643.938714 where: bonds (distance) C4'-P energy: -144.635 bonds (distance) P-C4' energy: -143.522 flat angles C4'-P-C4' energy: -168.847 flat angles P-C4'-P energy: -92.366 tors. eta vs tors. theta energy: -94.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1360.642024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.642024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.642024 (E_RNA) where: Base-Base interactions energy: -777.801 where: short stacking energy: -404.789 Base-Backbone interact. energy: 0.627 local terms energy: -583.468536 where: bonds (distance) C4'-P energy: -132.735 bonds (distance) P-C4' energy: -157.073 flat angles C4'-P-C4' energy: -165.533 flat angles P-C4'-P energy: -76.831 tors. eta vs tors. theta energy: -51.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1149.941313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.941313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.941313 (E_RNA) where: Base-Base interactions energy: -625.271 where: short stacking energy: -315.663 Base-Backbone interact. energy: -1.225 local terms energy: -523.445847 where: bonds (distance) C4'-P energy: -145.998 bonds (distance) P-C4' energy: -153.000 flat angles C4'-P-C4' energy: -129.009 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -10.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -663.710358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.710358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.710358 (E_RNA) where: Base-Base interactions energy: -213.993 where: short stacking energy: -184.185 Base-Backbone interact. energy: 3.207 local terms energy: -452.924558 where: bonds (distance) C4'-P energy: -167.812 bonds (distance) P-C4' energy: -134.713 flat angles C4'-P-C4' energy: -124.650 flat angles P-C4'-P energy: -67.575 tors. eta vs tors. theta energy: 41.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3088.157001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.157001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.157001 (E_RNA) where: Base-Base interactions energy: -2098.878 where: short stacking energy: -938.024 Base-Backbone interact. energy: -4.418 local terms energy: -984.861558 where: bonds (distance) C4'-P energy: -165.122 bonds (distance) P-C4' energy: -192.199 flat angles C4'-P-C4' energy: -215.145 flat angles P-C4'-P energy: -135.018 tors. eta vs tors. theta energy: -277.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2910.513787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.513787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.513787 (E_RNA) where: Base-Base interactions energy: -1953.938 where: short stacking energy: -862.977 Base-Backbone interact. energy: -3.463 local terms energy: -953.113233 where: bonds (distance) C4'-P energy: -156.079 bonds (distance) P-C4' energy: -184.118 flat angles C4'-P-C4' energy: -215.583 flat angles P-C4'-P energy: -141.500 tors. eta vs tors. theta energy: -255.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2828.168801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.168801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.168801 (E_RNA) where: Base-Base interactions energy: -1922.834 where: short stacking energy: -816.069 Base-Backbone interact. energy: 2.878 local terms energy: -908.212833 where: bonds (distance) C4'-P energy: -159.444 bonds (distance) P-C4' energy: -183.353 flat angles C4'-P-C4' energy: -197.359 flat angles P-C4'-P energy: -124.131 tors. eta vs tors. theta energy: -243.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2618.242515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.242515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.242515 (E_RNA) where: Base-Base interactions energy: -1730.418 where: short stacking energy: -775.863 Base-Backbone interact. energy: -6.350 local terms energy: -881.474936 where: bonds (distance) C4'-P energy: -172.490 bonds (distance) P-C4' energy: -155.876 flat angles C4'-P-C4' energy: -186.096 flat angles P-C4'-P energy: -133.769 tors. eta vs tors. theta energy: -233.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2424.061653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.061653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.061653 (E_RNA) where: Base-Base interactions energy: -1609.186 where: short stacking energy: -682.277 Base-Backbone interact. energy: -5.015 local terms energy: -809.860600 where: bonds (distance) C4'-P energy: -157.045 bonds (distance) P-C4' energy: -176.633 flat angles C4'-P-C4' energy: -186.675 flat angles P-C4'-P energy: -103.033 tors. eta vs tors. theta energy: -186.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1941.112612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.112612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.112612 (E_RNA) where: Base-Base interactions energy: -1226.131 where: short stacking energy: -548.184 Base-Backbone interact. energy: 0.657 local terms energy: -715.638519 where: bonds (distance) C4'-P energy: -169.814 bonds (distance) P-C4' energy: -172.278 flat angles C4'-P-C4' energy: -158.391 flat angles P-C4'-P energy: -96.616 tors. eta vs tors. theta energy: -118.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1723.997905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.997905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.997905 (E_RNA) where: Base-Base interactions energy: -1040.442 where: short stacking energy: -507.231 Base-Backbone interact. energy: 0.340 local terms energy: -683.895481 where: bonds (distance) C4'-P energy: -157.332 bonds (distance) P-C4' energy: -165.120 flat angles C4'-P-C4' energy: -147.977 flat angles P-C4'-P energy: -99.590 tors. eta vs tors. theta energy: -113.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1368.968106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.968106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.968106 (E_RNA) where: Base-Base interactions energy: -777.456 where: short stacking energy: -371.201 Base-Backbone interact. energy: -1.983 local terms energy: -589.529311 where: bonds (distance) C4'-P energy: -140.495 bonds (distance) P-C4' energy: -148.234 flat angles C4'-P-C4' energy: -145.185 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -49.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1167.168394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.168394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.168394 (E_RNA) where: Base-Base interactions energy: -632.214 where: short stacking energy: -336.475 Base-Backbone interact. energy: -1.290 local terms energy: -533.664445 where: bonds (distance) C4'-P energy: -139.229 bonds (distance) P-C4' energy: -149.596 flat angles C4'-P-C4' energy: -149.899 flat angles P-C4'-P energy: -77.572 tors. eta vs tors. theta energy: -17.369 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: 258 Temperature: 1.350000 Total energy: -701.794118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.794118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.794118 (E_RNA) where: Base-Base interactions energy: -284.887 where: short stacking energy: -183.691 Base-Backbone interact. energy: 1.241 local terms energy: -418.148381 where: bonds (distance) C4'-P energy: -160.054 bonds (distance) P-C4' energy: -165.990 flat angles C4'-P-C4' energy: -98.667 flat angles P-C4'-P energy: -38.209 tors. eta vs tors. theta energy: 44.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3043.939763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.939763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.939763 (E_RNA) where: Base-Base interactions energy: -2069.941 where: short stacking energy: -912.558 Base-Backbone interact. energy: 1.530 local terms energy: -975.528243 where: bonds (distance) C4'-P energy: -186.521 bonds (distance) P-C4' energy: -188.252 flat angles C4'-P-C4' energy: -207.220 flat angles P-C4'-P energy: -128.420 tors. eta vs tors. theta energy: -265.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2905.866363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.866363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.866363 (E_RNA) where: Base-Base interactions energy: -1962.717 where: short stacking energy: -876.044 Base-Backbone interact. energy: 0.693 local terms energy: -943.842236 where: bonds (distance) C4'-P energy: -190.017 bonds (distance) P-C4' energy: -159.869 flat angles C4'-P-C4' energy: -199.038 flat angles P-C4'-P energy: -140.881 tors. eta vs tors. theta energy: -254.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2849.032919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.032919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.032919 (E_RNA) where: Base-Base interactions energy: -1959.861 where: short stacking energy: -844.733 Base-Backbone interact. energy: -2.112 local terms energy: -887.060044 where: bonds (distance) C4'-P energy: -168.482 bonds (distance) P-C4' energy: -157.702 flat angles C4'-P-C4' energy: -198.237 flat angles P-C4'-P energy: -115.872 tors. eta vs tors. theta energy: -246.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2604.369371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.369371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.369371 (E_RNA) where: Base-Base interactions energy: -1727.714 where: short stacking energy: -782.084 Base-Backbone interact. energy: 0.837 local terms energy: -877.492622 where: bonds (distance) C4'-P energy: -182.509 bonds (distance) P-C4' energy: -170.165 flat angles C4'-P-C4' energy: -181.960 flat angles P-C4'-P energy: -121.291 tors. eta vs tors. theta energy: -221.567 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: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2430.507589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.507589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.507589 (E_RNA) where: Base-Base interactions energy: -1606.917 where: short stacking energy: -694.369 Base-Backbone interact. energy: -3.900 local terms energy: -819.690482 where: bonds (distance) C4'-P energy: -155.894 bonds (distance) P-C4' energy: -164.886 flat angles C4'-P-C4' energy: -172.383 flat angles P-C4'-P energy: -117.324 tors. eta vs tors. theta energy: -209.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2045.980884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.980884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.980884 (E_RNA) where: Base-Base interactions energy: -1311.017 where: short stacking energy: -565.907 Base-Backbone interact. energy: -0.735 local terms energy: -734.228951 where: bonds (distance) C4'-P energy: -178.471 bonds (distance) P-C4' energy: -140.356 flat angles C4'-P-C4' energy: -175.482 flat angles P-C4'-P energy: -93.685 tors. eta vs tors. theta energy: -146.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1687.025479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.025479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.025479 (E_RNA) where: Base-Base interactions energy: -1034.791 where: short stacking energy: -474.411 Base-Backbone interact. energy: 5.141 local terms energy: -657.375470 where: bonds (distance) C4'-P energy: -146.778 bonds (distance) P-C4' energy: -154.596 flat angles C4'-P-C4' energy: -154.544 flat angles P-C4'-P energy: -97.483 tors. eta vs tors. theta energy: -103.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1328.476345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.476345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.476345 (E_RNA) where: Base-Base interactions energy: -758.221 where: short stacking energy: -378.204 Base-Backbone interact. energy: -0.978 local terms energy: -569.277074 where: bonds (distance) C4'-P energy: -126.344 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -167.754 flat angles P-C4'-P energy: -79.688 tors. eta vs tors. theta energy: -43.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1173.522379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.522379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.522379 (E_RNA) where: Base-Base interactions energy: -659.935 where: short stacking energy: -331.115 Base-Backbone interact. energy: -4.919 local terms energy: -508.668953 where: bonds (distance) C4'-P energy: -150.782 bonds (distance) P-C4' energy: -136.031 flat angles C4'-P-C4' energy: -117.973 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: -30.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -644.793802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.793802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.793802 (E_RNA) where: Base-Base interactions energy: -235.046 where: short stacking energy: -158.647 Base-Backbone interact. energy: 4.967 local terms energy: -414.714230 where: bonds (distance) C4'-P energy: -146.606 bonds (distance) P-C4' energy: -160.394 flat angles C4'-P-C4' energy: -97.992 flat angles P-C4'-P energy: -68.024 tors. eta vs tors. theta energy: 58.301 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: 260 Temperature: 0.900000 Total energy: -3029.479560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.479560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.479560 (E_RNA) where: Base-Base interactions energy: -2020.600 where: short stacking energy: -896.529 Base-Backbone interact. energy: -2.762 local terms energy: -1006.117756 where: bonds (distance) C4'-P energy: -190.540 bonds (distance) P-C4' energy: -189.086 flat angles C4'-P-C4' energy: -208.216 flat angles P-C4'-P energy: -131.892 tors. eta vs tors. theta energy: -286.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2915.600921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.600921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.600921 (E_RNA) where: Base-Base interactions energy: -1977.732 where: short stacking energy: -877.288 Base-Backbone interact. energy: -4.038 local terms energy: -933.830065 where: bonds (distance) C4'-P energy: -174.405 bonds (distance) P-C4' energy: -165.487 flat angles C4'-P-C4' energy: -202.334 flat angles P-C4'-P energy: -119.606 tors. eta vs tors. theta energy: -271.999 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: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2842.709498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.709498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.709498 (E_RNA) where: Base-Base interactions energy: -1915.250 where: short stacking energy: -832.537 Base-Backbone interact. energy: -1.635 local terms energy: -925.824712 where: bonds (distance) C4'-P energy: -173.123 bonds (distance) P-C4' energy: -168.667 flat angles C4'-P-C4' energy: -201.116 flat angles P-C4'-P energy: -136.178 tors. eta vs tors. theta energy: -246.742 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: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2654.821188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.821188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.821188 (E_RNA) where: Base-Base interactions energy: -1804.850 where: short stacking energy: -778.043 Base-Backbone interact. energy: -1.279 local terms energy: -848.692166 where: bonds (distance) C4'-P energy: -158.847 bonds (distance) P-C4' energy: -160.291 flat angles C4'-P-C4' energy: -188.031 flat angles P-C4'-P energy: -116.813 tors. eta vs tors. theta energy: -224.709 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: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2354.748419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.748419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.748419 (E_RNA) where: Base-Base interactions energy: -1546.068 where: short stacking energy: -677.544 Base-Backbone interact. energy: -0.642 local terms energy: -808.038522 where: bonds (distance) C4'-P energy: -153.628 bonds (distance) P-C4' energy: -175.665 flat angles C4'-P-C4' energy: -175.545 flat angles P-C4'-P energy: -111.517 tors. eta vs tors. theta energy: -191.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2065.334862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.334862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.334862 (E_RNA) where: Base-Base interactions energy: -1330.073 where: short stacking energy: -597.778 Base-Backbone interact. energy: 1.296 local terms energy: -736.558390 where: bonds (distance) C4'-P energy: -146.784 bonds (distance) P-C4' energy: -174.131 flat angles C4'-P-C4' energy: -166.370 flat angles P-C4'-P energy: -111.906 tors. eta vs tors. theta energy: -137.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1705.954511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.954511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.954511 (E_RNA) where: Base-Base interactions energy: -1064.011 where: short stacking energy: -480.528 Base-Backbone interact. energy: 2.764 local terms energy: -644.708027 where: bonds (distance) C4'-P energy: -152.723 bonds (distance) P-C4' energy: -133.596 flat angles C4'-P-C4' energy: -167.859 flat angles P-C4'-P energy: -81.199 tors. eta vs tors. theta energy: -109.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1380.963254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.963254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.963254 (E_RNA) where: Base-Base interactions energy: -764.231 where: short stacking energy: -413.085 Base-Backbone interact. energy: 0.349 local terms energy: -617.081207 where: bonds (distance) C4'-P energy: -142.794 bonds (distance) P-C4' energy: -162.035 flat angles C4'-P-C4' energy: -155.083 flat angles P-C4'-P energy: -85.997 tors. eta vs tors. theta energy: -71.171 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: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1188.384127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.384127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.384127 (E_RNA) where: Base-Base interactions energy: -709.827 where: short stacking energy: -319.216 Base-Backbone interact. energy: 0.419 local terms energy: -478.976224 where: bonds (distance) C4'-P energy: -131.943 bonds (distance) P-C4' energy: -160.200 flat angles C4'-P-C4' energy: -116.724 flat angles P-C4'-P energy: -54.290 tors. eta vs tors. theta energy: -15.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -721.808778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.808778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.808778 (E_RNA) where: Base-Base interactions energy: -265.087 where: short stacking energy: -232.874 Base-Backbone interact. energy: 1.817 local terms energy: -458.539121 where: bonds (distance) C4'-P energy: -137.539 bonds (distance) P-C4' energy: -155.724 flat angles C4'-P-C4' energy: -124.310 flat angles P-C4'-P energy: -66.528 tors. eta vs tors. theta energy: 25.562 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: 261 Temperature: 0.900000 Total energy: -3095.775849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.775849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.775849 (E_RNA) where: Base-Base interactions energy: -2097.747 where: short stacking energy: -944.408 Base-Backbone interact. energy: -1.393 local terms energy: -996.635636 where: bonds (distance) C4'-P energy: -179.445 bonds (distance) P-C4' energy: -192.041 flat angles C4'-P-C4' energy: -202.098 flat angles P-C4'-P energy: -146.043 tors. eta vs tors. theta energy: -277.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2913.457734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.457734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.457734 (E_RNA) where: Base-Base interactions energy: -1983.965 where: short stacking energy: -874.673 Base-Backbone interact. energy: -0.606 local terms energy: -928.887173 where: bonds (distance) C4'-P energy: -163.872 bonds (distance) P-C4' energy: -174.529 flat angles C4'-P-C4' energy: -205.270 flat angles P-C4'-P energy: -124.942 tors. eta vs tors. theta energy: -260.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2842.925417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.925417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.925417 (E_RNA) where: Base-Base interactions energy: -1938.442 where: short stacking energy: -833.704 Base-Backbone interact. energy: -6.813 local terms energy: -897.670697 where: bonds (distance) C4'-P energy: -175.121 bonds (distance) P-C4' energy: -158.748 flat angles C4'-P-C4' energy: -197.368 flat angles P-C4'-P energy: -125.405 tors. eta vs tors. theta energy: -241.028 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: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2591.198649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.198649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.198649 (E_RNA) where: Base-Base interactions energy: -1716.737 where: short stacking energy: -749.914 Base-Backbone interact. energy: -4.837 local terms energy: -869.624494 where: bonds (distance) C4'-P energy: -173.223 bonds (distance) P-C4' energy: -161.181 flat angles C4'-P-C4' energy: -187.312 flat angles P-C4'-P energy: -120.853 tors. eta vs tors. theta energy: -227.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2441.250568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.250568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.250568 (E_RNA) where: Base-Base interactions energy: -1619.709 where: short stacking energy: -714.084 Base-Backbone interact. energy: -1.498 local terms energy: -820.043158 where: bonds (distance) C4'-P energy: -169.265 bonds (distance) P-C4' energy: -171.154 flat angles C4'-P-C4' energy: -178.542 flat angles P-C4'-P energy: -96.685 tors. eta vs tors. theta energy: -204.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2063.307900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.307900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.307900 (E_RNA) where: Base-Base interactions energy: -1357.875 where: short stacking energy: -605.719 Base-Backbone interact. energy: 2.041 local terms energy: -707.473953 where: bonds (distance) C4'-P energy: -140.478 bonds (distance) P-C4' energy: -157.742 flat angles C4'-P-C4' energy: -174.304 flat angles P-C4'-P energy: -96.164 tors. eta vs tors. theta energy: -138.785 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: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1686.823667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.823667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.823667 (E_RNA) where: Base-Base interactions energy: -1024.113 where: short stacking energy: -511.440 Base-Backbone interact. energy: 3.378 local terms energy: -666.088902 where: bonds (distance) C4'-P energy: -152.270 bonds (distance) P-C4' energy: -158.174 flat angles C4'-P-C4' energy: -141.905 flat angles P-C4'-P energy: -109.466 tors. eta vs tors. theta energy: -104.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1360.613102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.613102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.613102 (E_RNA) where: Base-Base interactions energy: -759.632 where: short stacking energy: -394.005 Base-Backbone interact. energy: -1.309 local terms energy: -599.672192 where: bonds (distance) C4'-P energy: -169.283 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -150.713 flat angles P-C4'-P energy: -83.338 tors. eta vs tors. theta energy: -46.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1144.042373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.042373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.042373 (E_RNA) where: Base-Base interactions energy: -611.788 where: short stacking energy: -322.118 Base-Backbone interact. energy: 2.728 local terms energy: -534.982143 where: bonds (distance) C4'-P energy: -157.221 bonds (distance) P-C4' energy: -152.771 flat angles C4'-P-C4' energy: -138.676 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: -21.696 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: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -688.655714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.655714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.655714 (E_RNA) where: Base-Base interactions energy: -223.854 where: short stacking energy: -177.285 Base-Backbone interact. energy: -1.246 local terms energy: -463.556530 where: bonds (distance) C4'-P energy: -143.918 bonds (distance) P-C4' energy: -164.810 flat angles C4'-P-C4' energy: -121.965 flat angles P-C4'-P energy: -70.384 tors. eta vs tors. theta energy: 37.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3052.526707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.526707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.526707 (E_RNA) where: Base-Base interactions energy: -2062.768 where: short stacking energy: -957.626 Base-Backbone interact. energy: -0.492 local terms energy: -989.266544 where: bonds (distance) C4'-P energy: -180.226 bonds (distance) P-C4' energy: -195.393 flat angles C4'-P-C4' energy: -204.433 flat angles P-C4'-P energy: -138.199 tors. eta vs tors. theta energy: -271.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2932.302849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.302849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.302849 (E_RNA) where: Base-Base interactions energy: -1998.650 where: short stacking energy: -893.215 Base-Backbone interact. energy: -6.937 local terms energy: -926.715077 where: bonds (distance) C4'-P energy: -153.242 bonds (distance) P-C4' energy: -177.145 flat angles C4'-P-C4' energy: -205.213 flat angles P-C4'-P energy: -121.588 tors. eta vs tors. theta energy: -269.528 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: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2867.051932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.051932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.051932 (E_RNA) where: Base-Base interactions energy: -1965.828 where: short stacking energy: -840.633 Base-Backbone interact. energy: -2.941 local terms energy: -898.283046 where: bonds (distance) C4'-P energy: -164.994 bonds (distance) P-C4' energy: -173.498 flat angles C4'-P-C4' energy: -201.272 flat angles P-C4'-P energy: -113.682 tors. eta vs tors. theta energy: -244.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2560.417557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.417557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.417557 (E_RNA) where: Base-Base interactions energy: -1696.461 where: short stacking energy: -752.438 Base-Backbone interact. energy: 0.746 local terms energy: -864.702105 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -174.839 flat angles C4'-P-C4' energy: -190.339 flat angles P-C4'-P energy: -116.627 tors. eta vs tors. theta energy: -230.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2394.214356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.214356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.214356 (E_RNA) where: Base-Base interactions energy: -1584.967 where: short stacking energy: -718.659 Base-Backbone interact. energy: -0.573 local terms energy: -808.674640 where: bonds (distance) C4'-P energy: -156.021 bonds (distance) P-C4' energy: -168.612 flat angles C4'-P-C4' energy: -185.771 flat angles P-C4'-P energy: -106.906 tors. eta vs tors. theta energy: -191.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1913.962496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.962496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.962496 (E_RNA) where: Base-Base interactions energy: -1196.871 where: short stacking energy: -578.088 Base-Backbone interact. energy: 0.320 local terms energy: -717.411859 where: bonds (distance) C4'-P energy: -161.702 bonds (distance) P-C4' energy: -158.994 flat angles C4'-P-C4' energy: -159.835 flat angles P-C4'-P energy: -109.578 tors. eta vs tors. theta energy: -127.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1666.292869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.292869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.292869 (E_RNA) where: Base-Base interactions energy: -1021.413 where: short stacking energy: -498.978 Base-Backbone interact. energy: -1.223 local terms energy: -643.657023 where: bonds (distance) C4'-P energy: -142.165 bonds (distance) P-C4' energy: -140.816 flat angles C4'-P-C4' energy: -158.528 flat angles P-C4'-P energy: -93.517 tors. eta vs tors. theta energy: -108.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1367.583205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.583205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.583205 (E_RNA) where: Base-Base interactions energy: -775.913 where: short stacking energy: -381.098 Base-Backbone interact. energy: 1.506 local terms energy: -593.176612 where: bonds (distance) C4'-P energy: -138.191 bonds (distance) P-C4' energy: -167.829 flat angles C4'-P-C4' energy: -154.640 flat angles P-C4'-P energy: -73.281 tors. eta vs tors. theta energy: -59.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1105.830074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.830074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.830074 (E_RNA) where: Base-Base interactions energy: -592.136 where: short stacking energy: -312.908 Base-Backbone interact. energy: -0.353 local terms energy: -513.341168 where: bonds (distance) C4'-P energy: -138.605 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -75.786 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -658.107959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.107959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.107959 (E_RNA) where: Base-Base interactions energy: -218.235 where: short stacking energy: -174.427 Base-Backbone interact. energy: 1.883 local terms energy: -441.755856 where: bonds (distance) C4'-P energy: -144.586 bonds (distance) P-C4' energy: -153.266 flat angles C4'-P-C4' energy: -130.029 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: 40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3030.573153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.573153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.573153 (E_RNA) where: Base-Base interactions energy: -2053.593 where: short stacking energy: -934.448 Base-Backbone interact. energy: -2.089 local terms energy: -974.890794 where: bonds (distance) C4'-P energy: -173.712 bonds (distance) P-C4' energy: -187.245 flat angles C4'-P-C4' energy: -210.672 flat angles P-C4'-P energy: -123.392 tors. eta vs tors. theta energy: -279.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2926.624354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.624354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.624354 (E_RNA) where: Base-Base interactions energy: -1976.231 where: short stacking energy: -880.129 Base-Backbone interact. energy: -6.736 local terms energy: -943.657369 where: bonds (distance) C4'-P energy: -182.972 bonds (distance) P-C4' energy: -158.987 flat angles C4'-P-C4' energy: -198.338 flat angles P-C4'-P energy: -132.010 tors. eta vs tors. theta energy: -271.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2862.957746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.957746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.957746 (E_RNA) where: Base-Base interactions energy: -1981.928 where: short stacking energy: -866.075 Base-Backbone interact. energy: 2.711 local terms energy: -883.741025 where: bonds (distance) C4'-P energy: -140.594 bonds (distance) P-C4' energy: -172.402 flat angles C4'-P-C4' energy: -200.524 flat angles P-C4'-P energy: -122.023 tors. eta vs tors. theta energy: -248.198 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: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2554.766889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.766889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.766889 (E_RNA) where: Base-Base interactions energy: -1690.302 where: short stacking energy: -763.457 Base-Backbone interact. energy: -2.300 local terms energy: -862.164483 where: bonds (distance) C4'-P energy: -169.696 bonds (distance) P-C4' energy: -170.972 flat angles C4'-P-C4' energy: -181.219 flat angles P-C4'-P energy: -111.617 tors. eta vs tors. theta energy: -228.660 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: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2356.734259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.734259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.734259 (E_RNA) where: Base-Base interactions energy: -1588.168 where: short stacking energy: -668.458 Base-Backbone interact. energy: 1.858 local terms energy: -770.424120 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -143.695 flat angles C4'-P-C4' energy: -180.133 flat angles P-C4'-P energy: -113.289 tors. eta vs tors. theta energy: -181.634 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: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1944.143222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.143222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.143222 (E_RNA) where: Base-Base interactions energy: -1264.383 where: short stacking energy: -587.354 Base-Backbone interact. energy: 2.581 local terms energy: -682.341481 where: bonds (distance) C4'-P energy: -116.732 bonds (distance) P-C4' energy: -165.215 flat angles C4'-P-C4' energy: -167.482 flat angles P-C4'-P energy: -95.639 tors. eta vs tors. theta energy: -137.274 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: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1778.284751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.284751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.284751 (E_RNA) where: Base-Base interactions energy: -1107.048 where: short stacking energy: -529.545 Base-Backbone interact. energy: 3.689 local terms energy: -674.925712 where: bonds (distance) C4'-P energy: -141.334 bonds (distance) P-C4' energy: -182.379 flat angles C4'-P-C4' energy: -153.814 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -102.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1379.687712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.687712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.687712 (E_RNA) where: Base-Base interactions energy: -764.310 where: short stacking energy: -402.223 Base-Backbone interact. energy: -0.024 local terms energy: -615.353593 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -168.798 flat angles C4'-P-C4' energy: -138.092 flat angles P-C4'-P energy: -98.486 tors. eta vs tors. theta energy: -68.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1065.953166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.953166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.953166 (E_RNA) where: Base-Base interactions energy: -559.079 where: short stacking energy: -303.666 Base-Backbone interact. energy: 4.385 local terms energy: -511.259153 where: bonds (distance) C4'-P energy: -131.700 bonds (distance) P-C4' energy: -134.945 flat angles C4'-P-C4' energy: -140.688 flat angles P-C4'-P energy: -85.747 tors. eta vs tors. theta energy: -18.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -726.115570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.115570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.115570 (E_RNA) where: Base-Base interactions energy: -290.054 where: short stacking energy: -193.286 Base-Backbone interact. energy: 5.655 local terms energy: -441.715884 where: bonds (distance) C4'-P energy: -151.840 bonds (distance) P-C4' energy: -147.396 flat angles C4'-P-C4' energy: -100.027 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: 25.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3013.529852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.529852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.529852 (E_RNA) where: Base-Base interactions energy: -2025.353 where: short stacking energy: -906.203 Base-Backbone interact. energy: -4.124 local terms energy: -984.052361 where: bonds (distance) C4'-P energy: -172.634 bonds (distance) P-C4' energy: -187.148 flat angles C4'-P-C4' energy: -200.835 flat angles P-C4'-P energy: -145.030 tors. eta vs tors. theta energy: -278.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -3002.175061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.175061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.175061 (E_RNA) where: Base-Base interactions energy: -2022.866 where: short stacking energy: -905.051 Base-Backbone interact. energy: -5.818 local terms energy: -973.491442 where: bonds (distance) C4'-P energy: -182.459 bonds (distance) P-C4' energy: -188.433 flat angles C4'-P-C4' energy: -189.806 flat angles P-C4'-P energy: -138.136 tors. eta vs tors. theta energy: -274.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2821.821047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.821047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.821047 (E_RNA) where: Base-Base interactions energy: -1902.693 where: short stacking energy: -810.191 Base-Backbone interact. energy: -1.525 local terms energy: -917.602481 where: bonds (distance) C4'-P energy: -175.898 bonds (distance) P-C4' energy: -177.048 flat angles C4'-P-C4' energy: -192.439 flat angles P-C4'-P energy: -126.686 tors. eta vs tors. theta energy: -245.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2639.978180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.978180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.978180 (E_RNA) where: Base-Base interactions energy: -1751.482 where: short stacking energy: -792.717 Base-Backbone interact. energy: -5.513 local terms energy: -882.983321 where: bonds (distance) C4'-P energy: -148.868 bonds (distance) P-C4' energy: -176.077 flat angles C4'-P-C4' energy: -185.603 flat angles P-C4'-P energy: -130.760 tors. eta vs tors. theta energy: -241.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2409.544635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.544635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.544635 (E_RNA) where: Base-Base interactions energy: -1593.905 where: short stacking energy: -677.115 Base-Backbone interact. energy: -2.448 local terms energy: -813.191900 where: bonds (distance) C4'-P energy: -156.046 bonds (distance) P-C4' energy: -167.098 flat angles C4'-P-C4' energy: -187.890 flat angles P-C4'-P energy: -125.505 tors. eta vs tors. theta energy: -176.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1962.347849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.347849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.347849 (E_RNA) where: Base-Base interactions energy: -1250.848 where: short stacking energy: -561.810 Base-Backbone interact. energy: -0.960 local terms energy: -710.539914 where: bonds (distance) C4'-P energy: -158.555 bonds (distance) P-C4' energy: -149.536 flat angles C4'-P-C4' energy: -154.425 flat angles P-C4'-P energy: -105.277 tors. eta vs tors. theta energy: -142.747 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: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1810.564340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.564340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.564340 (E_RNA) where: Base-Base interactions energy: -1130.689 where: short stacking energy: -508.742 Base-Backbone interact. energy: -2.794 local terms energy: -677.080971 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -164.396 flat angles C4'-P-C4' energy: -166.983 flat angles P-C4'-P energy: -79.833 tors. eta vs tors. theta energy: -121.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1364.887267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.887267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.887267 (E_RNA) where: Base-Base interactions energy: -745.695 where: short stacking energy: -372.951 Base-Backbone interact. energy: -3.240 local terms energy: -615.951571 where: bonds (distance) C4'-P energy: -156.137 bonds (distance) P-C4' energy: -157.632 flat angles C4'-P-C4' energy: -164.600 flat angles P-C4'-P energy: -88.468 tors. eta vs tors. theta energy: -49.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1033.971707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.971707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.971707 (E_RNA) where: Base-Base interactions energy: -561.973 where: short stacking energy: -296.679 Base-Backbone interact. energy: 1.138 local terms energy: -473.136379 where: bonds (distance) C4'-P energy: -138.624 bonds (distance) P-C4' energy: -139.015 flat angles C4'-P-C4' energy: -96.361 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -26.823 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: 264 Temperature: 1.350000 Total energy: -747.668623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.668623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.668623 (E_RNA) where: Base-Base interactions energy: -325.797 where: short stacking energy: -245.016 Base-Backbone interact. energy: 1.056 local terms energy: -422.927706 where: bonds (distance) C4'-P energy: -136.604 bonds (distance) P-C4' energy: -135.785 flat angles C4'-P-C4' energy: -136.611 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: 25.547 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: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3038.845352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.845352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.845352 (E_RNA) where: Base-Base interactions energy: -2057.867 where: short stacking energy: -925.165 Base-Backbone interact. energy: 2.571 local terms energy: -983.550231 where: bonds (distance) C4'-P energy: -185.353 bonds (distance) P-C4' energy: -182.788 flat angles C4'-P-C4' energy: -221.207 flat angles P-C4'-P energy: -118.919 tors. eta vs tors. theta energy: -275.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2960.260868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.260868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.260868 (E_RNA) where: Base-Base interactions energy: -2033.988 where: short stacking energy: -880.896 Base-Backbone interact. energy: 5.113 local terms energy: -931.385196 where: bonds (distance) C4'-P energy: -173.679 bonds (distance) P-C4' energy: -185.218 flat angles C4'-P-C4' energy: -196.041 flat angles P-C4'-P energy: -122.388 tors. eta vs tors. theta energy: -254.059 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: 265 Temperature: 1.000000 Total energy: -2868.608504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.608504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.608504 (E_RNA) where: Base-Base interactions energy: -1952.203 where: short stacking energy: -869.311 Base-Backbone interact. energy: -1.699 local terms energy: -914.707007 where: bonds (distance) C4'-P energy: -164.903 bonds (distance) P-C4' energy: -188.451 flat angles C4'-P-C4' energy: -190.475 flat angles P-C4'-P energy: -112.142 tors. eta vs tors. theta energy: -258.736 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: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2622.000762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.000762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.000762 (E_RNA) where: Base-Base interactions energy: -1734.317 where: short stacking energy: -757.151 Base-Backbone interact. energy: -1.053 local terms energy: -886.630240 where: bonds (distance) C4'-P energy: -176.503 bonds (distance) P-C4' energy: -156.352 flat angles C4'-P-C4' energy: -197.413 flat angles P-C4'-P energy: -127.054 tors. eta vs tors. theta energy: -229.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2427.339708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.339708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.339708 (E_RNA) where: Base-Base interactions energy: -1608.298 where: short stacking energy: -709.781 Base-Backbone interact. energy: -2.784 local terms energy: -816.257534 where: bonds (distance) C4'-P energy: -144.233 bonds (distance) P-C4' energy: -171.746 flat angles C4'-P-C4' energy: -188.180 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -206.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2069.261547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.261547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.261547 (E_RNA) where: Base-Base interactions energy: -1328.220 where: short stacking energy: -576.862 Base-Backbone interact. energy: -3.513 local terms energy: -737.529323 where: bonds (distance) C4'-P energy: -149.528 bonds (distance) P-C4' energy: -161.648 flat angles C4'-P-C4' energy: -168.949 flat angles P-C4'-P energy: -121.383 tors. eta vs tors. theta energy: -136.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1849.369351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.369351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.369351 (E_RNA) where: Base-Base interactions energy: -1195.649 where: short stacking energy: -524.409 Base-Backbone interact. energy: 7.871 local terms energy: -661.591433 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -143.768 flat angles C4'-P-C4' energy: -161.111 flat angles P-C4'-P energy: -103.064 tors. eta vs tors. theta energy: -105.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1343.463362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.463362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.463362 (E_RNA) where: Base-Base interactions energy: -755.095 where: short stacking energy: -375.602 Base-Backbone interact. energy: -0.932 local terms energy: -587.436029 where: bonds (distance) C4'-P energy: -149.427 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -146.345 flat angles P-C4'-P energy: -90.945 tors. eta vs tors. theta energy: -53.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1082.410926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.410926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.410926 (E_RNA) where: Base-Base interactions energy: -540.422 where: short stacking energy: -295.375 Base-Backbone interact. energy: 4.269 local terms energy: -546.257454 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -173.265 flat angles C4'-P-C4' energy: -140.025 flat angles P-C4'-P energy: -67.910 tors. eta vs tors. theta energy: -8.532 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: 265 Temperature: 1.350000 Total energy: -708.537520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.537520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.537520 (E_RNA) where: Base-Base interactions energy: -244.571 where: short stacking energy: -196.677 Base-Backbone interact. energy: -4.654 local terms energy: -459.312488 where: bonds (distance) C4'-P energy: -137.299 bonds (distance) P-C4' energy: -159.103 flat angles C4'-P-C4' energy: -115.605 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: 17.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3044.856861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.856861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.856861 (E_RNA) where: Base-Base interactions energy: -2044.220 where: short stacking energy: -898.256 Base-Backbone interact. energy: -2.445 local terms energy: -998.191249 where: bonds (distance) C4'-P energy: -190.988 bonds (distance) P-C4' energy: -186.739 flat angles C4'-P-C4' energy: -213.505 flat angles P-C4'-P energy: -125.933 tors. eta vs tors. theta energy: -281.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2981.873617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.873617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.873617 (E_RNA) where: Base-Base interactions energy: -2046.600 where: short stacking energy: -887.920 Base-Backbone interact. energy: -2.297 local terms energy: -932.976112 where: bonds (distance) C4'-P energy: -193.398 bonds (distance) P-C4' energy: -180.864 flat angles C4'-P-C4' energy: -193.430 flat angles P-C4'-P energy: -118.558 tors. eta vs tors. theta energy: -246.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2890.431163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.431163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.431163 (E_RNA) where: Base-Base interactions energy: -1946.375 where: short stacking energy: -829.148 Base-Backbone interact. energy: -5.818 local terms energy: -938.238693 where: bonds (distance) C4'-P energy: -175.249 bonds (distance) P-C4' energy: -193.406 flat angles C4'-P-C4' energy: -192.257 flat angles P-C4'-P energy: -127.730 tors. eta vs tors. theta energy: -249.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2627.513626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.513626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.513626 (E_RNA) where: Base-Base interactions energy: -1732.979 where: short stacking energy: -793.404 Base-Backbone interact. energy: -0.974 local terms energy: -893.560131 where: bonds (distance) C4'-P energy: -163.884 bonds (distance) P-C4' energy: -181.095 flat angles C4'-P-C4' energy: -194.418 flat angles P-C4'-P energy: -118.563 tors. eta vs tors. theta energy: -235.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2395.104265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.104265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.104265 (E_RNA) where: Base-Base interactions energy: -1602.923 where: short stacking energy: -693.025 Base-Backbone interact. energy: 1.334 local terms energy: -793.515535 where: bonds (distance) C4'-P energy: -151.799 bonds (distance) P-C4' energy: -159.654 flat angles C4'-P-C4' energy: -163.080 flat angles P-C4'-P energy: -124.190 tors. eta vs tors. theta energy: -194.793 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: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2167.594065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.594065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.594065 (E_RNA) where: Base-Base interactions energy: -1383.140 where: short stacking energy: -608.050 Base-Backbone interact. energy: -1.576 local terms energy: -782.877767 where: bonds (distance) C4'-P energy: -161.128 bonds (distance) P-C4' energy: -178.141 flat angles C4'-P-C4' energy: -166.915 flat angles P-C4'-P energy: -127.996 tors. eta vs tors. theta energy: -148.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1815.519928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.519928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.519928 (E_RNA) where: Base-Base interactions energy: -1174.443 where: short stacking energy: -524.311 Base-Backbone interact. energy: 0.891 local terms energy: -641.967634 where: bonds (distance) C4'-P energy: -144.093 bonds (distance) P-C4' energy: -146.797 flat angles C4'-P-C4' energy: -160.800 flat angles P-C4'-P energy: -90.437 tors. eta vs tors. theta energy: -99.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1334.899725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.899725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.899725 (E_RNA) where: Base-Base interactions energy: -783.464 where: short stacking energy: -404.506 Base-Backbone interact. energy: 1.684 local terms energy: -553.119896 where: bonds (distance) C4'-P energy: -126.123 bonds (distance) P-C4' energy: -151.214 flat angles C4'-P-C4' energy: -138.173 flat angles P-C4'-P energy: -72.136 tors. eta vs tors. theta energy: -65.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1091.215265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.215265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.215265 (E_RNA) where: Base-Base interactions energy: -549.079 where: short stacking energy: -280.670 Base-Backbone interact. energy: 0.588 local terms energy: -542.724825 where: bonds (distance) C4'-P energy: -136.074 bonds (distance) P-C4' energy: -177.720 flat angles C4'-P-C4' energy: -153.055 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -18.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -674.822588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.822588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.822588 (E_RNA) where: Base-Base interactions energy: -220.094 where: short stacking energy: -185.520 Base-Backbone interact. energy: -0.723 local terms energy: -454.005604 where: bonds (distance) C4'-P energy: -139.416 bonds (distance) P-C4' energy: -160.044 flat angles C4'-P-C4' energy: -100.755 flat angles P-C4'-P energy: -68.220 tors. eta vs tors. theta energy: 14.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3048.780959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.780959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.780959 (E_RNA) where: Base-Base interactions energy: -2080.098 where: short stacking energy: -925.510 Base-Backbone interact. energy: -3.299 local terms energy: -965.384223 where: bonds (distance) C4'-P energy: -179.872 bonds (distance) P-C4' energy: -185.153 flat angles C4'-P-C4' energy: -203.751 flat angles P-C4'-P energy: -126.028 tors. eta vs tors. theta energy: -270.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2932.525341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.525341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.525341 (E_RNA) where: Base-Base interactions energy: -2021.329 where: short stacking energy: -870.070 Base-Backbone interact. energy: -3.830 local terms energy: -907.366660 where: bonds (distance) C4'-P energy: -159.899 bonds (distance) P-C4' energy: -177.353 flat angles C4'-P-C4' energy: -189.995 flat angles P-C4'-P energy: -121.007 tors. eta vs tors. theta energy: -259.113 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: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2863.626796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.626796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.626796 (E_RNA) where: Base-Base interactions energy: -1944.965 where: short stacking energy: -840.951 Base-Backbone interact. energy: -2.274 local terms energy: -916.387417 where: bonds (distance) C4'-P energy: -168.974 bonds (distance) P-C4' energy: -172.752 flat angles C4'-P-C4' energy: -190.850 flat angles P-C4'-P energy: -128.274 tors. eta vs tors. theta energy: -255.537 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2644.506793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.506793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.506793 (E_RNA) where: Base-Base interactions energy: -1777.616 where: short stacking energy: -802.470 Base-Backbone interact. energy: -3.264 local terms energy: -863.627030 where: bonds (distance) C4'-P energy: -170.131 bonds (distance) P-C4' energy: -167.346 flat angles C4'-P-C4' energy: -195.211 flat angles P-C4'-P energy: -104.585 tors. eta vs tors. theta energy: -226.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2416.495784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.495784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.495784 (E_RNA) where: Base-Base interactions energy: -1595.031 where: short stacking energy: -705.644 Base-Backbone interact. energy: 0.414 local terms energy: -821.878936 where: bonds (distance) C4'-P energy: -154.901 bonds (distance) P-C4' energy: -173.813 flat angles C4'-P-C4' energy: -181.207 flat angles P-C4'-P energy: -112.846 tors. eta vs tors. theta energy: -199.112 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: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2158.551950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.551950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.551950 (E_RNA) where: Base-Base interactions energy: -1446.689 where: short stacking energy: -644.008 Base-Backbone interact. energy: -2.764 local terms energy: -709.098721 where: bonds (distance) C4'-P energy: -125.231 bonds (distance) P-C4' energy: -160.566 flat angles C4'-P-C4' energy: -172.164 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -154.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1881.151408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.151408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.151408 (E_RNA) where: Base-Base interactions energy: -1211.926 where: short stacking energy: -546.126 Base-Backbone interact. energy: -0.819 local terms energy: -668.406133 where: bonds (distance) C4'-P energy: -154.583 bonds (distance) P-C4' energy: -165.141 flat angles C4'-P-C4' energy: -176.432 flat angles P-C4'-P energy: -71.712 tors. eta vs tors. theta energy: -100.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1310.509895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.509895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.509895 (E_RNA) where: Base-Base interactions energy: -729.107 where: short stacking energy: -368.339 Base-Backbone interact. energy: 3.431 local terms energy: -584.834132 where: bonds (distance) C4'-P energy: -154.107 bonds (distance) P-C4' energy: -167.736 flat angles C4'-P-C4' energy: -137.022 flat angles P-C4'-P energy: -85.748 tors. eta vs tors. theta energy: -40.221 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: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1117.450594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.450594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.450594 (E_RNA) where: Base-Base interactions energy: -603.643 where: short stacking energy: -285.378 Base-Backbone interact. energy: -2.200 local terms energy: -511.607710 where: bonds (distance) C4'-P energy: -154.533 bonds (distance) P-C4' energy: -151.639 flat angles C4'-P-C4' energy: -130.401 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: -15.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -651.521372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.521372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.521372 (E_RNA) where: Base-Base interactions energy: -253.549 where: short stacking energy: -188.359 Base-Backbone interact. energy: 7.538 local terms energy: -405.510865 where: bonds (distance) C4'-P energy: -144.077 bonds (distance) P-C4' energy: -118.573 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: 37.405 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: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3036.106636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.106636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.106636 (E_RNA) where: Base-Base interactions energy: -2088.336 where: short stacking energy: -912.876 Base-Backbone interact. energy: -3.927 local terms energy: -943.844503 where: bonds (distance) C4'-P energy: -178.091 bonds (distance) P-C4' energy: -181.647 flat angles C4'-P-C4' energy: -203.098 flat angles P-C4'-P energy: -122.380 tors. eta vs tors. theta energy: -258.628 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: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2964.733786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.733786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.733786 (E_RNA) where: Base-Base interactions energy: -2000.066 where: short stacking energy: -880.852 Base-Backbone interact. energy: -2.277 local terms energy: -962.391081 where: bonds (distance) C4'-P energy: -175.562 bonds (distance) P-C4' energy: -173.324 flat angles C4'-P-C4' energy: -208.162 flat angles P-C4'-P energy: -136.984 tors. eta vs tors. theta energy: -268.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2851.576923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.576923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.576923 (E_RNA) where: Base-Base interactions energy: -1920.670 where: short stacking energy: -838.601 Base-Backbone interact. energy: -2.578 local terms energy: -928.329061 where: bonds (distance) C4'-P energy: -173.575 bonds (distance) P-C4' energy: -181.986 flat angles C4'-P-C4' energy: -199.143 flat angles P-C4'-P energy: -124.773 tors. eta vs tors. theta energy: -248.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2656.867066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.867066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.867066 (E_RNA) where: Base-Base interactions energy: -1778.751 where: short stacking energy: -786.798 Base-Backbone interact. energy: -3.478 local terms energy: -874.638223 where: bonds (distance) C4'-P energy: -162.418 bonds (distance) P-C4' energy: -177.815 flat angles C4'-P-C4' energy: -186.679 flat angles P-C4'-P energy: -123.690 tors. eta vs tors. theta energy: -224.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2427.394724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.394724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.394724 (E_RNA) where: Base-Base interactions energy: -1623.781 where: short stacking energy: -717.058 Base-Backbone interact. energy: -0.484 local terms energy: -803.130496 where: bonds (distance) C4'-P energy: -126.634 bonds (distance) P-C4' energy: -182.317 flat angles C4'-P-C4' energy: -190.825 flat angles P-C4'-P energy: -110.306 tors. eta vs tors. theta energy: -193.049 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: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2146.543721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.543721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.543721 (E_RNA) where: Base-Base interactions energy: -1438.049 where: short stacking energy: -624.690 Base-Backbone interact. energy: -4.857 local terms energy: -703.637726 where: bonds (distance) C4'-P energy: -138.394 bonds (distance) P-C4' energy: -163.649 flat angles C4'-P-C4' energy: -157.412 flat angles P-C4'-P energy: -99.453 tors. eta vs tors. theta energy: -144.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1862.683161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.683161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.683161 (E_RNA) where: Base-Base interactions energy: -1192.988 where: short stacking energy: -556.691 Base-Backbone interact. energy: 1.782 local terms energy: -671.476772 where: bonds (distance) C4'-P energy: -149.378 bonds (distance) P-C4' energy: -152.183 flat angles C4'-P-C4' energy: -176.548 flat angles P-C4'-P energy: -83.399 tors. eta vs tors. theta energy: -109.970 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: 8, replica: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1356.432553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.432553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.432553 (E_RNA) where: Base-Base interactions energy: -753.133 where: short stacking energy: -378.400 Base-Backbone interact. energy: -0.185 local terms energy: -603.114571 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -167.785 flat angles C4'-P-C4' energy: -149.860 flat angles P-C4'-P energy: -77.787 tors. eta vs tors. theta energy: -48.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1077.152303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.152303 (E_RNA) where: Base-Base interactions energy: -560.405 where: short stacking energy: -298.168 Base-Backbone interact. energy: 1.755 local terms energy: -518.502190 where: bonds (distance) C4'-P energy: -121.573 bonds (distance) P-C4' energy: -158.033 flat angles C4'-P-C4' energy: -133.142 flat angles P-C4'-P energy: -97.309 tors. eta vs tors. theta energy: -8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -698.039210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.039210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.039210 (E_RNA) where: Base-Base interactions energy: -239.937 where: short stacking energy: -175.768 Base-Backbone interact. energy: 0.413 local terms energy: -458.515019 where: bonds (distance) C4'-P energy: -144.559 bonds (distance) P-C4' energy: -134.116 flat angles C4'-P-C4' energy: -119.324 flat angles P-C4'-P energy: -75.768 tors. eta vs tors. theta energy: 15.253 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: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3022.685187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.685187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.685187 (E_RNA) where: Base-Base interactions energy: -2051.229 where: short stacking energy: -901.357 Base-Backbone interact. energy: -1.834 local terms energy: -969.622690 where: bonds (distance) C4'-P energy: -180.733 bonds (distance) P-C4' energy: -182.700 flat angles C4'-P-C4' energy: -213.424 flat angles P-C4'-P energy: -130.841 tors. eta vs tors. theta energy: -261.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2930.024627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.024627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.024627 (E_RNA) where: Base-Base interactions energy: -1967.724 where: short stacking energy: -879.141 Base-Backbone interact. energy: -4.544 local terms energy: -957.756482 where: bonds (distance) C4'-P energy: -173.093 bonds (distance) P-C4' energy: -180.362 flat angles C4'-P-C4' energy: -195.165 flat angles P-C4'-P energy: -127.354 tors. eta vs tors. theta energy: -281.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2882.317811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.317811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.317811 (E_RNA) where: Base-Base interactions energy: -1947.209 where: short stacking energy: -821.607 Base-Backbone interact. energy: -2.976 local terms energy: -932.132609 where: bonds (distance) C4'-P energy: -172.402 bonds (distance) P-C4' energy: -182.637 flat angles C4'-P-C4' energy: -197.831 flat angles P-C4'-P energy: -128.231 tors. eta vs tors. theta energy: -251.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2631.664664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.664664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.664664 (E_RNA) where: Base-Base interactions energy: -1743.557 where: short stacking energy: -776.235 Base-Backbone interact. energy: -2.924 local terms energy: -885.183603 where: bonds (distance) C4'-P energy: -157.157 bonds (distance) P-C4' energy: -183.335 flat angles C4'-P-C4' energy: -195.899 flat angles P-C4'-P energy: -117.037 tors. eta vs tors. theta energy: -231.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2422.004174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.004174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.004174 (E_RNA) where: Base-Base interactions energy: -1646.458 where: short stacking energy: -723.867 Base-Backbone interact. energy: 1.160 local terms energy: -776.706194 where: bonds (distance) C4'-P energy: -155.721 bonds (distance) P-C4' energy: -137.758 flat angles C4'-P-C4' energy: -168.854 flat angles P-C4'-P energy: -121.607 tors. eta vs tors. theta energy: -192.766 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: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2130.453243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.453243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.453243 (E_RNA) where: Base-Base interactions energy: -1382.399 where: short stacking energy: -573.973 Base-Backbone interact. energy: -1.870 local terms energy: -746.184840 where: bonds (distance) C4'-P energy: -178.062 bonds (distance) P-C4' energy: -172.083 flat angles C4'-P-C4' energy: -153.772 flat angles P-C4'-P energy: -109.446 tors. eta vs tors. theta energy: -132.823 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: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1916.597616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.597616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.597616 (E_RNA) where: Base-Base interactions energy: -1254.004 where: short stacking energy: -552.495 Base-Backbone interact. energy: -1.441 local terms energy: -661.153122 where: bonds (distance) C4'-P energy: -143.268 bonds (distance) P-C4' energy: -138.962 flat angles C4'-P-C4' energy: -176.610 flat angles P-C4'-P energy: -78.539 tors. eta vs tors. theta energy: -123.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1396.115866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.115866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.115866 (E_RNA) where: Base-Base interactions energy: -787.860 where: short stacking energy: -394.184 Base-Backbone interact. energy: -0.751 local terms energy: -607.504834 where: bonds (distance) C4'-P energy: -141.811 bonds (distance) P-C4' energy: -161.867 flat angles C4'-P-C4' energy: -151.179 flat angles P-C4'-P energy: -94.525 tors. eta vs tors. theta energy: -58.122 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: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1094.328282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.328282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.328282 (E_RNA) where: Base-Base interactions energy: -557.929 where: short stacking energy: -321.829 Base-Backbone interact. energy: -2.180 local terms energy: -534.219192 where: bonds (distance) C4'-P energy: -170.179 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -114.841 flat angles P-C4'-P energy: -68.329 tors. eta vs tors. theta energy: -21.711 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: 269 Temperature: 1.350000 Total energy: -678.555364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.555364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.555364 (E_RNA) where: Base-Base interactions energy: -230.898 where: short stacking energy: -188.230 Base-Backbone interact. energy: -1.649 local terms energy: -446.008593 where: bonds (distance) C4'-P energy: -128.512 bonds (distance) P-C4' energy: -166.861 flat angles C4'-P-C4' energy: -123.807 flat angles P-C4'-P energy: -65.976 tors. eta vs tors. theta energy: 39.147 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: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3041.666130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.666130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.666130 (E_RNA) where: Base-Base interactions energy: -2069.641 where: short stacking energy: -911.346 Base-Backbone interact. energy: -4.356 local terms energy: -967.669122 where: bonds (distance) C4'-P energy: -179.850 bonds (distance) P-C4' energy: -187.547 flat angles C4'-P-C4' energy: -204.647 flat angles P-C4'-P energy: -141.324 tors. eta vs tors. theta energy: -254.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2887.707200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.707200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.707200 (E_RNA) where: Base-Base interactions energy: -1947.917 where: short stacking energy: -846.797 Base-Backbone interact. energy: -5.565 local terms energy: -934.224759 where: bonds (distance) C4'-P energy: -170.536 bonds (distance) P-C4' energy: -194.863 flat angles C4'-P-C4' energy: -194.584 flat angles P-C4'-P energy: -118.389 tors. eta vs tors. theta energy: -255.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2834.377436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.377436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.377436 (E_RNA) where: Base-Base interactions energy: -1906.755 where: short stacking energy: -846.119 Base-Backbone interact. energy: -0.296 local terms energy: -927.326332 where: bonds (distance) C4'-P energy: -166.360 bonds (distance) P-C4' energy: -176.618 flat angles C4'-P-C4' energy: -202.758 flat angles P-C4'-P energy: -123.964 tors. eta vs tors. theta energy: -257.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2637.082608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.082608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.082608 (E_RNA) where: Base-Base interactions energy: -1769.396 where: short stacking energy: -792.549 Base-Backbone interact. energy: -1.147 local terms energy: -866.538880 where: bonds (distance) C4'-P energy: -161.812 bonds (distance) P-C4' energy: -160.769 flat angles C4'-P-C4' energy: -188.033 flat angles P-C4'-P energy: -124.262 tors. eta vs tors. theta energy: -231.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2482.061740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.061740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.061740 (E_RNA) where: Base-Base interactions energy: -1693.714 where: short stacking energy: -701.143 Base-Backbone interact. energy: -5.664 local terms energy: -782.684141 where: bonds (distance) C4'-P energy: -147.039 bonds (distance) P-C4' energy: -148.442 flat angles C4'-P-C4' energy: -175.947 flat angles P-C4'-P energy: -114.057 tors. eta vs tors. theta energy: -197.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2229.902925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.902925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.902925 (E_RNA) where: Base-Base interactions energy: -1500.860 where: short stacking energy: -674.880 Base-Backbone interact. energy: -2.032 local terms energy: -727.010777 where: bonds (distance) C4'-P energy: -154.188 bonds (distance) P-C4' energy: -151.599 flat angles C4'-P-C4' energy: -167.460 flat angles P-C4'-P energy: -98.069 tors. eta vs tors. theta energy: -155.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1875.741696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.741696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.741696 (E_RNA) where: Base-Base interactions energy: -1175.500 where: short stacking energy: -520.107 Base-Backbone interact. energy: -4.717 local terms energy: -695.524314 where: bonds (distance) C4'-P energy: -140.265 bonds (distance) P-C4' energy: -157.726 flat angles C4'-P-C4' energy: -167.578 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -123.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1354.337198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.337198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.337198 (E_RNA) where: Base-Base interactions energy: -758.011 where: short stacking energy: -376.757 Base-Backbone interact. energy: 4.226 local terms energy: -600.552024 where: bonds (distance) C4'-P energy: -144.413 bonds (distance) P-C4' energy: -159.196 flat angles C4'-P-C4' energy: -152.049 flat angles P-C4'-P energy: -78.480 tors. eta vs tors. theta energy: -66.415 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: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1097.619324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.619324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.619324 (E_RNA) where: Base-Base interactions energy: -574.942 where: short stacking energy: -310.881 Base-Backbone interact. energy: 6.431 local terms energy: -529.108952 where: bonds (distance) C4'-P energy: -134.736 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -135.986 flat angles P-C4'-P energy: -78.139 tors. eta vs tors. theta energy: -31.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -675.330359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.330359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.330359 (E_RNA) where: Base-Base interactions energy: -250.261 where: short stacking energy: -192.232 Base-Backbone interact. energy: 1.204 local terms energy: -426.272723 where: bonds (distance) C4'-P energy: -144.157 bonds (distance) P-C4' energy: -165.168 flat angles C4'-P-C4' energy: -96.338 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: 36.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3005.359130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.359130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.359130 (E_RNA) where: Base-Base interactions energy: -2039.375 where: short stacking energy: -914.915 Base-Backbone interact. energy: -1.928 local terms energy: -964.055978 where: bonds (distance) C4'-P energy: -182.855 bonds (distance) P-C4' energy: -188.314 flat angles C4'-P-C4' energy: -202.966 flat angles P-C4'-P energy: -129.688 tors. eta vs tors. theta energy: -260.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2891.959718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.959718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.959718 (E_RNA) where: Base-Base interactions energy: -1916.420 where: short stacking energy: -857.917 Base-Backbone interact. energy: -8.751 local terms energy: -966.788167 where: bonds (distance) C4'-P energy: -175.544 bonds (distance) P-C4' energy: -198.097 flat angles C4'-P-C4' energy: -209.623 flat angles P-C4'-P energy: -123.390 tors. eta vs tors. theta energy: -260.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2861.480488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.480488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.480488 (E_RNA) where: Base-Base interactions energy: -1955.281 where: short stacking energy: -841.450 Base-Backbone interact. energy: -3.025 local terms energy: -903.174023 where: bonds (distance) C4'-P energy: -170.923 bonds (distance) P-C4' energy: -164.939 flat angles C4'-P-C4' energy: -182.553 flat angles P-C4'-P energy: -123.270 tors. eta vs tors. theta energy: -261.488 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: 271 Temperature: 1.050000 Total energy: -2614.599264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.599264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.599264 (E_RNA) where: Base-Base interactions energy: -1716.227 where: short stacking energy: -755.394 Base-Backbone interact. energy: -0.708 local terms energy: -897.664624 where: bonds (distance) C4'-P energy: -186.440 bonds (distance) P-C4' energy: -174.485 flat angles C4'-P-C4' energy: -177.488 flat angles P-C4'-P energy: -118.646 tors. eta vs tors. theta energy: -240.606 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: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2486.865249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.865249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.865249 (E_RNA) where: Base-Base interactions energy: -1646.822 where: short stacking energy: -710.045 Base-Backbone interact. energy: -1.872 local terms energy: -838.171255 where: bonds (distance) C4'-P energy: -174.294 bonds (distance) P-C4' energy: -163.038 flat angles C4'-P-C4' energy: -195.182 flat angles P-C4'-P energy: -109.479 tors. eta vs tors. theta energy: -196.178 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: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2172.056359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.056359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.056359 (E_RNA) where: Base-Base interactions energy: -1425.701 where: short stacking energy: -623.747 Base-Backbone interact. energy: 1.576 local terms energy: -747.931442 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -161.112 flat angles C4'-P-C4' energy: -183.423 flat angles P-C4'-P energy: -101.029 tors. eta vs tors. theta energy: -155.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1902.242487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.242487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.242487 (E_RNA) where: Base-Base interactions energy: -1217.125 where: short stacking energy: -551.133 Base-Backbone interact. energy: -1.163 local terms energy: -683.954568 where: bonds (distance) C4'-P energy: -164.046 bonds (distance) P-C4' energy: -161.759 flat angles C4'-P-C4' energy: -161.333 flat angles P-C4'-P energy: -89.559 tors. eta vs tors. theta energy: -107.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1467.397595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.397595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.397595 (E_RNA) where: Base-Base interactions energy: -855.217 where: short stacking energy: -415.208 Base-Backbone interact. energy: -3.588 local terms energy: -608.592217 where: bonds (distance) C4'-P energy: -147.556 bonds (distance) P-C4' energy: -153.180 flat angles C4'-P-C4' energy: -149.230 flat angles P-C4'-P energy: -91.903 tors. eta vs tors. theta energy: -66.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1058.007723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.007723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.007723 (E_RNA) where: Base-Base interactions energy: -534.436 where: short stacking energy: -283.612 Base-Backbone interact. energy: 1.017 local terms energy: -524.588504 where: bonds (distance) C4'-P energy: -142.797 bonds (distance) P-C4' energy: -150.960 flat angles C4'-P-C4' energy: -154.484 flat angles P-C4'-P energy: -77.502 tors. eta vs tors. theta energy: 1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -771.742705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.742705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.742705 (E_RNA) where: Base-Base interactions energy: -331.141 where: short stacking energy: -229.329 Base-Backbone interact. energy: 5.047 local terms energy: -445.647974 where: bonds (distance) C4'-P energy: -153.143 bonds (distance) P-C4' energy: -126.440 flat angles C4'-P-C4' energy: -129.152 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: 27.080 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: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3039.408287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.408287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.408287 (E_RNA) where: Base-Base interactions energy: -2067.098 where: short stacking energy: -920.001 Base-Backbone interact. energy: 0.263 local terms energy: -972.573200 where: bonds (distance) C4'-P energy: -168.743 bonds (distance) P-C4' energy: -173.116 flat angles C4'-P-C4' energy: -215.046 flat angles P-C4'-P energy: -148.411 tors. eta vs tors. theta energy: -267.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2912.565609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.565609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.565609 (E_RNA) where: Base-Base interactions energy: -1967.628 where: short stacking energy: -882.484 Base-Backbone interact. energy: -3.395 local terms energy: -941.542250 where: bonds (distance) C4'-P energy: -164.716 bonds (distance) P-C4' energy: -185.569 flat angles C4'-P-C4' energy: -201.600 flat angles P-C4'-P energy: -128.161 tors. eta vs tors. theta energy: -261.495 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: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2857.365177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.365177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.365177 (E_RNA) where: Base-Base interactions energy: -1957.746 where: short stacking energy: -866.187 Base-Backbone interact. energy: -0.296 local terms energy: -899.323202 where: bonds (distance) C4'-P energy: -159.441 bonds (distance) P-C4' energy: -161.813 flat angles C4'-P-C4' energy: -199.725 flat angles P-C4'-P energy: -126.575 tors. eta vs tors. theta energy: -251.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2659.840339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.840339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.840339 (E_RNA) where: Base-Base interactions energy: -1784.677 where: short stacking energy: -775.848 Base-Backbone interact. energy: -3.213 local terms energy: -871.949702 where: bonds (distance) C4'-P energy: -169.839 bonds (distance) P-C4' energy: -170.169 flat angles C4'-P-C4' energy: -192.323 flat angles P-C4'-P energy: -99.357 tors. eta vs tors. theta energy: -240.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2470.589871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.589871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.589871 (E_RNA) where: Base-Base interactions energy: -1676.273 where: short stacking energy: -747.307 Base-Backbone interact. energy: -0.585 local terms energy: -793.732595 where: bonds (distance) C4'-P energy: -159.307 bonds (distance) P-C4' energy: -146.280 flat angles C4'-P-C4' energy: -185.274 flat angles P-C4'-P energy: -99.605 tors. eta vs tors. theta energy: -203.266 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: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2126.544891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.544891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.544891 (E_RNA) where: Base-Base interactions energy: -1372.675 where: short stacking energy: -589.456 Base-Backbone interact. energy: 0.685 local terms energy: -754.555666 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -181.908 flat angles C4'-P-C4' energy: -177.011 flat angles P-C4'-P energy: -100.320 tors. eta vs tors. theta energy: -145.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1872.266291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.266291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.266291 (E_RNA) where: Base-Base interactions energy: -1177.129 where: short stacking energy: -539.596 Base-Backbone interact. energy: 0.709 local terms energy: -695.846459 where: bonds (distance) C4'-P energy: -154.473 bonds (distance) P-C4' energy: -148.381 flat angles C4'-P-C4' energy: -171.082 flat angles P-C4'-P energy: -92.923 tors. eta vs tors. theta energy: -128.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1459.419714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.419714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.419714 (E_RNA) where: Base-Base interactions energy: -845.368 where: short stacking energy: -410.231 Base-Backbone interact. energy: 1.661 local terms energy: -615.712828 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -172.002 flat angles C4'-P-C4' energy: -133.921 flat angles P-C4'-P energy: -86.689 tors. eta vs tors. theta energy: -78.539 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: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -975.736554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.736554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.736554 (E_RNA) where: Base-Base interactions energy: -490.634 where: short stacking energy: -250.585 Base-Backbone interact. energy: -2.273 local terms energy: -482.829421 where: bonds (distance) C4'-P energy: -115.289 bonds (distance) P-C4' energy: -171.037 flat angles C4'-P-C4' energy: -131.828 flat angles P-C4'-P energy: -82.359 tors. eta vs tors. theta energy: 17.684 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: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -829.160405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.160405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.160405 (E_RNA) where: Base-Base interactions energy: -361.286 where: short stacking energy: -226.003 Base-Backbone interact. energy: -1.317 local terms energy: -466.557948 where: bonds (distance) C4'-P energy: -134.529 bonds (distance) P-C4' energy: -165.870 flat angles C4'-P-C4' energy: -119.768 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: 31.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3007.837043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.837043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.837043 (E_RNA) where: Base-Base interactions energy: -2049.210 where: short stacking energy: -893.307 Base-Backbone interact. energy: -2.394 local terms energy: -956.233108 where: bonds (distance) C4'-P energy: -197.154 bonds (distance) P-C4' energy: -187.939 flat angles C4'-P-C4' energy: -205.128 flat angles P-C4'-P energy: -122.080 tors. eta vs tors. theta energy: -243.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2893.670063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.670063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.670063 (E_RNA) where: Base-Base interactions energy: -1966.499 where: short stacking energy: -833.278 Base-Backbone interact. energy: -4.015 local terms energy: -923.156326 where: bonds (distance) C4'-P energy: -180.357 bonds (distance) P-C4' energy: -168.889 flat angles C4'-P-C4' energy: -211.171 flat angles P-C4'-P energy: -118.201 tors. eta vs tors. theta energy: -244.538 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: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2820.129151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.129151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.129151 (E_RNA) where: Base-Base interactions energy: -1877.186 where: short stacking energy: -855.027 Base-Backbone interact. energy: 4.679 local terms energy: -947.622037 where: bonds (distance) C4'-P energy: -175.868 bonds (distance) P-C4' energy: -186.146 flat angles C4'-P-C4' energy: -204.476 flat angles P-C4'-P energy: -120.237 tors. eta vs tors. theta energy: -260.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2637.997536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.997536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.997536 (E_RNA) where: Base-Base interactions energy: -1743.475 where: short stacking energy: -817.440 Base-Backbone interact. energy: -0.445 local terms energy: -894.077390 where: bonds (distance) C4'-P energy: -168.774 bonds (distance) P-C4' energy: -147.602 flat angles C4'-P-C4' energy: -198.143 flat angles P-C4'-P energy: -128.744 tors. eta vs tors. theta energy: -250.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2465.705804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.705804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.705804 (E_RNA) where: Base-Base interactions energy: -1629.245 where: short stacking energy: -709.500 Base-Backbone interact. energy: -0.477 local terms energy: -835.983764 where: bonds (distance) C4'-P energy: -160.579 bonds (distance) P-C4' energy: -170.475 flat angles C4'-P-C4' energy: -191.339 flat angles P-C4'-P energy: -129.823 tors. eta vs tors. theta energy: -183.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2152.312244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.312244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.312244 (E_RNA) where: Base-Base interactions energy: -1388.171 where: short stacking energy: -634.226 Base-Backbone interact. energy: -3.900 local terms energy: -760.240848 where: bonds (distance) C4'-P energy: -138.457 bonds (distance) P-C4' energy: -166.093 flat angles C4'-P-C4' energy: -179.720 flat angles P-C4'-P energy: -120.170 tors. eta vs tors. theta energy: -155.802 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: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1922.015432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.015432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.015432 (E_RNA) where: Base-Base interactions energy: -1240.695 where: short stacking energy: -536.557 Base-Backbone interact. energy: -1.582 local terms energy: -679.738250 where: bonds (distance) C4'-P energy: -172.950 bonds (distance) P-C4' energy: -151.236 flat angles C4'-P-C4' energy: -146.576 flat angles P-C4'-P energy: -83.554 tors. eta vs tors. theta energy: -125.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1501.269642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.269642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.269642 (E_RNA) where: Base-Base interactions energy: -899.577 where: short stacking energy: -434.777 Base-Backbone interact. energy: 0.098 local terms energy: -601.790990 where: bonds (distance) C4'-P energy: -118.134 bonds (distance) P-C4' energy: -146.934 flat angles C4'-P-C4' energy: -160.621 flat angles P-C4'-P energy: -107.102 tors. eta vs tors. theta energy: -68.999 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: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -898.316647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.316647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.316647 (E_RNA) where: Base-Base interactions energy: -450.247 where: short stacking energy: -258.819 Base-Backbone interact. energy: -3.252 local terms energy: -444.817730 where: bonds (distance) C4'-P energy: -146.232 bonds (distance) P-C4' energy: -155.252 flat angles C4'-P-C4' energy: -96.039 flat angles P-C4'-P energy: -56.854 tors. eta vs tors. theta energy: 9.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -814.613387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.613387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.613387 (E_RNA) where: Base-Base interactions energy: -307.085 where: short stacking energy: -227.009 Base-Backbone interact. energy: 4.653 local terms energy: -512.181715 where: bonds (distance) C4'-P energy: -146.842 bonds (distance) P-C4' energy: -172.647 flat angles C4'-P-C4' energy: -136.825 flat angles P-C4'-P energy: -73.800 tors. eta vs tors. theta energy: 17.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3013.639120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.639120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.639120 (E_RNA) where: Base-Base interactions energy: -2054.569 where: short stacking energy: -898.429 Base-Backbone interact. energy: 1.024 local terms energy: -960.093989 where: bonds (distance) C4'-P energy: -177.476 bonds (distance) P-C4' energy: -182.819 flat angles C4'-P-C4' energy: -204.145 flat angles P-C4'-P energy: -130.018 tors. eta vs tors. theta energy: -265.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2934.965058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.965058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.965058 (E_RNA) where: Base-Base interactions energy: -2009.904 where: short stacking energy: -868.389 Base-Backbone interact. energy: -4.100 local terms energy: -920.961058 where: bonds (distance) C4'-P energy: -169.041 bonds (distance) P-C4' energy: -178.973 flat angles C4'-P-C4' energy: -181.477 flat angles P-C4'-P energy: -132.524 tors. eta vs tors. theta energy: -258.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2805.539669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.539669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.539669 (E_RNA) where: Base-Base interactions energy: -1888.662 where: short stacking energy: -869.911 Base-Backbone interact. energy: -0.706 local terms energy: -916.172008 where: bonds (distance) C4'-P energy: -168.383 bonds (distance) P-C4' energy: -168.658 flat angles C4'-P-C4' energy: -198.016 flat angles P-C4'-P energy: -127.431 tors. eta vs tors. theta energy: -253.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2646.969310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.969310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.969310 (E_RNA) where: Base-Base interactions energy: -1754.388 where: short stacking energy: -787.131 Base-Backbone interact. energy: -4.234 local terms energy: -888.346885 where: bonds (distance) C4'-P energy: -171.135 bonds (distance) P-C4' energy: -167.624 flat angles C4'-P-C4' energy: -181.510 flat angles P-C4'-P energy: -123.058 tors. eta vs tors. theta energy: -245.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2414.148718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.148718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.148718 (E_RNA) where: Base-Base interactions energy: -1636.934 where: short stacking energy: -729.233 Base-Backbone interact. energy: -4.436 local terms energy: -772.778243 where: bonds (distance) C4'-P energy: -163.550 bonds (distance) P-C4' energy: -150.531 flat angles C4'-P-C4' energy: -172.455 flat angles P-C4'-P energy: -103.943 tors. eta vs tors. theta energy: -182.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2085.223790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.223790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.223790 (E_RNA) where: Base-Base interactions energy: -1334.760 where: short stacking energy: -601.842 Base-Backbone interact. energy: -0.792 local terms energy: -749.670964 where: bonds (distance) C4'-P energy: -161.968 bonds (distance) P-C4' energy: -179.825 flat angles C4'-P-C4' energy: -187.129 flat angles P-C4'-P energy: -93.441 tors. eta vs tors. theta energy: -127.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1934.663734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.663734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.663734 (E_RNA) where: Base-Base interactions energy: -1271.641 where: short stacking energy: -577.721 Base-Backbone interact. energy: -3.399 local terms energy: -659.624171 where: bonds (distance) C4'-P energy: -137.959 bonds (distance) P-C4' energy: -154.542 flat angles C4'-P-C4' energy: -140.030 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -135.883 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: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1495.080108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.080108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.080108 (E_RNA) where: Base-Base interactions energy: -870.320 where: short stacking energy: -430.175 Base-Backbone interact. energy: 6.974 local terms energy: -631.734070 where: bonds (distance) C4'-P energy: -158.084 bonds (distance) P-C4' energy: -166.547 flat angles C4'-P-C4' energy: -154.351 flat angles P-C4'-P energy: -94.707 tors. eta vs tors. theta energy: -58.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -922.678704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.678704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.678704 (E_RNA) where: Base-Base interactions energy: -431.723 where: short stacking energy: -222.913 Base-Backbone interact. energy: 2.364 local terms energy: -493.319194 where: bonds (distance) C4'-P energy: -149.381 bonds (distance) P-C4' energy: -159.281 flat angles C4'-P-C4' energy: -130.500 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: 31.306 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: 274 Temperature: 1.350000 Total energy: -722.814184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.814184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.814184 (E_RNA) where: Base-Base interactions energy: -319.535 where: short stacking energy: -213.959 Base-Backbone interact. energy: 2.973 local terms energy: -406.251965 where: bonds (distance) C4'-P energy: -140.592 bonds (distance) P-C4' energy: -138.140 flat angles C4'-P-C4' energy: -104.968 flat angles P-C4'-P energy: -57.936 tors. eta vs tors. theta energy: 35.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3043.378632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.378632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.378632 (E_RNA) where: Base-Base interactions energy: -2070.392 where: short stacking energy: -903.908 Base-Backbone interact. energy: 1.514 local terms energy: -974.500289 where: bonds (distance) C4'-P energy: -180.551 bonds (distance) P-C4' energy: -188.545 flat angles C4'-P-C4' energy: -196.071 flat angles P-C4'-P energy: -144.619 tors. eta vs tors. theta energy: -264.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2942.941912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.941912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.941912 (E_RNA) where: Base-Base interactions energy: -1997.920 where: short stacking energy: -867.363 Base-Backbone interact. energy: -2.493 local terms energy: -942.528080 where: bonds (distance) C4'-P energy: -174.200 bonds (distance) P-C4' energy: -191.023 flat angles C4'-P-C4' energy: -206.779 flat angles P-C4'-P energy: -120.388 tors. eta vs tors. theta energy: -250.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2782.866727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.866727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.866727 (E_RNA) where: Base-Base interactions energy: -1870.051 where: short stacking energy: -828.532 Base-Backbone interact. energy: 3.329 local terms energy: -916.145083 where: bonds (distance) C4'-P energy: -179.795 bonds (distance) P-C4' energy: -180.923 flat angles C4'-P-C4' energy: -188.270 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -247.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2643.108775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.108775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.108775 (E_RNA) where: Base-Base interactions energy: -1759.535 where: short stacking energy: -790.678 Base-Backbone interact. energy: -1.981 local terms energy: -881.593074 where: bonds (distance) C4'-P energy: -163.400 bonds (distance) P-C4' energy: -160.053 flat angles C4'-P-C4' energy: -192.632 flat angles P-C4'-P energy: -119.791 tors. eta vs tors. theta energy: -245.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2412.424035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.424035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.424035 (E_RNA) where: Base-Base interactions energy: -1596.332 where: short stacking energy: -715.771 Base-Backbone interact. energy: -1.507 local terms energy: -814.585944 where: bonds (distance) C4'-P energy: -141.763 bonds (distance) P-C4' energy: -175.602 flat angles C4'-P-C4' energy: -174.668 flat angles P-C4'-P energy: -117.449 tors. eta vs tors. theta energy: -205.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2120.503799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.503799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.503799 (E_RNA) where: Base-Base interactions energy: -1398.780 where: short stacking energy: -623.435 Base-Backbone interact. energy: -0.247 local terms energy: -721.477397 where: bonds (distance) C4'-P energy: -156.464 bonds (distance) P-C4' energy: -152.464 flat angles C4'-P-C4' energy: -162.573 flat angles P-C4'-P energy: -92.225 tors. eta vs tors. theta energy: -157.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1989.120820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.120820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.120820 (E_RNA) where: Base-Base interactions energy: -1271.088 where: short stacking energy: -585.389 Base-Backbone interact. energy: -2.929 local terms energy: -715.104130 where: bonds (distance) C4'-P energy: -164.307 bonds (distance) P-C4' energy: -153.252 flat angles C4'-P-C4' energy: -140.401 flat angles P-C4'-P energy: -109.968 tors. eta vs tors. theta energy: -147.177 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: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1504.061984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.061984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.061984 (E_RNA) where: Base-Base interactions energy: -923.952 where: short stacking energy: -412.765 Base-Backbone interact. energy: 0.529 local terms energy: -580.638384 where: bonds (distance) C4'-P energy: -148.883 bonds (distance) P-C4' energy: -146.503 flat angles C4'-P-C4' energy: -150.356 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -50.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -934.039520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.039520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.039520 (E_RNA) where: Base-Base interactions energy: -449.140 where: short stacking energy: -285.292 Base-Backbone interact. energy: -0.149 local terms energy: -484.751255 where: bonds (distance) C4'-P energy: -155.236 bonds (distance) P-C4' energy: -155.154 flat angles C4'-P-C4' energy: -103.706 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -718.711042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.711042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.711042 (E_RNA) where: Base-Base interactions energy: -268.228 where: short stacking energy: -216.868 Base-Backbone interact. energy: -1.860 local terms energy: -448.622683 where: bonds (distance) C4'-P energy: -130.907 bonds (distance) P-C4' energy: -157.181 flat angles C4'-P-C4' energy: -103.560 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: 24.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3048.224374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.224374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.224374 (E_RNA) where: Base-Base interactions energy: -2048.862 where: short stacking energy: -931.756 Base-Backbone interact. energy: -4.310 local terms energy: -995.053137 where: bonds (distance) C4'-P energy: -188.855 bonds (distance) P-C4' energy: -180.744 flat angles C4'-P-C4' energy: -221.993 flat angles P-C4'-P energy: -122.994 tors. eta vs tors. theta energy: -280.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2957.839565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.839565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.839565 (E_RNA) where: Base-Base interactions energy: -2025.945 where: short stacking energy: -903.048 Base-Backbone interact. energy: 2.061 local terms energy: -933.956413 where: bonds (distance) C4'-P energy: -172.624 bonds (distance) P-C4' energy: -183.901 flat angles C4'-P-C4' energy: -191.464 flat angles P-C4'-P energy: -121.813 tors. eta vs tors. theta energy: -264.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2803.742884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.742884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.742884 (E_RNA) where: Base-Base interactions energy: -1864.325 where: short stacking energy: -831.517 Base-Backbone interact. energy: -0.220 local terms energy: -939.198235 where: bonds (distance) C4'-P energy: -178.755 bonds (distance) P-C4' energy: -185.669 flat angles C4'-P-C4' energy: -201.631 flat angles P-C4'-P energy: -125.574 tors. eta vs tors. theta energy: -247.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2600.895932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.895932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.895932 (E_RNA) where: Base-Base interactions energy: -1748.063 where: short stacking energy: -747.911 Base-Backbone interact. energy: 0.666 local terms energy: -853.498513 where: bonds (distance) C4'-P energy: -156.412 bonds (distance) P-C4' energy: -188.630 flat angles C4'-P-C4' energy: -179.403 flat angles P-C4'-P energy: -111.540 tors. eta vs tors. theta energy: -217.513 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: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2429.067847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.067847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.067847 (E_RNA) where: Base-Base interactions energy: -1586.233 where: short stacking energy: -717.734 Base-Backbone interact. energy: -2.484 local terms energy: -840.351288 where: bonds (distance) C4'-P energy: -166.977 bonds (distance) P-C4' energy: -170.070 flat angles C4'-P-C4' energy: -196.357 flat angles P-C4'-P energy: -111.336 tors. eta vs tors. theta energy: -195.610 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: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2143.783615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.783615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.783615 (E_RNA) where: Base-Base interactions energy: -1420.383 where: short stacking energy: -620.056 Base-Backbone interact. energy: 4.221 local terms energy: -727.621960 where: bonds (distance) C4'-P energy: -144.310 bonds (distance) P-C4' energy: -163.297 flat angles C4'-P-C4' energy: -159.716 flat angles P-C4'-P energy: -113.846 tors. eta vs tors. theta energy: -146.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1951.169194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.169194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.169194 (E_RNA) where: Base-Base interactions energy: -1261.928 where: short stacking energy: -559.709 Base-Backbone interact. energy: -1.275 local terms energy: -687.966617 where: bonds (distance) C4'-P energy: -139.792 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -169.055 flat angles P-C4'-P energy: -98.741 tors. eta vs tors. theta energy: -126.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1471.155502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.155502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.155502 (E_RNA) where: Base-Base interactions energy: -904.108 where: short stacking energy: -423.558 Base-Backbone interact. energy: -3.310 local terms energy: -563.737693 where: bonds (distance) C4'-P energy: -131.607 bonds (distance) P-C4' energy: -141.894 flat angles C4'-P-C4' energy: -152.477 flat angles P-C4'-P energy: -81.338 tors. eta vs tors. theta energy: -56.421 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: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -880.945145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.945145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.945145 (E_RNA) where: Base-Base interactions energy: -424.160 where: short stacking energy: -245.414 Base-Backbone interact. energy: -0.996 local terms energy: -455.789460 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -140.746 flat angles C4'-P-C4' energy: -110.211 flat angles P-C4'-P energy: -83.681 tors. eta vs tors. theta energy: 5.020 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: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -765.838140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.838140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.838140 (E_RNA) where: Base-Base interactions energy: -308.793 where: short stacking energy: -236.104 Base-Backbone interact. energy: 1.649 local terms energy: -458.694216 where: bonds (distance) C4'-P energy: -155.805 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -62.886 tors. eta vs tors. theta energy: 26.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3034.441226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.441226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.441226 (E_RNA) where: Base-Base interactions energy: -2095.204 where: short stacking energy: -899.614 Base-Backbone interact. energy: -1.380 local terms energy: -937.856939 where: bonds (distance) C4'-P energy: -182.253 bonds (distance) P-C4' energy: -172.715 flat angles C4'-P-C4' energy: -198.332 flat angles P-C4'-P energy: -123.335 tors. eta vs tors. theta energy: -261.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2934.785962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.785962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.785962 (E_RNA) where: Base-Base interactions energy: -2006.298 where: short stacking energy: -860.348 Base-Backbone interact. energy: 3.942 local terms energy: -932.429939 where: bonds (distance) C4'-P energy: -177.499 bonds (distance) P-C4' energy: -176.525 flat angles C4'-P-C4' energy: -204.154 flat angles P-C4'-P energy: -124.686 tors. eta vs tors. theta energy: -249.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2762.955238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.955238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.955238 (E_RNA) where: Base-Base interactions energy: -1850.598 where: short stacking energy: -824.294 Base-Backbone interact. energy: -4.529 local terms energy: -907.828332 where: bonds (distance) C4'-P energy: -184.252 bonds (distance) P-C4' energy: -167.333 flat angles C4'-P-C4' energy: -189.784 flat angles P-C4'-P energy: -122.492 tors. eta vs tors. theta energy: -243.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2636.804698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.804698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.804698 (E_RNA) where: Base-Base interactions energy: -1751.842 where: short stacking energy: -817.375 Base-Backbone interact. energy: -0.691 local terms energy: -884.272440 where: bonds (distance) C4'-P energy: -157.127 bonds (distance) P-C4' energy: -168.572 flat angles C4'-P-C4' energy: -193.218 flat angles P-C4'-P energy: -122.014 tors. eta vs tors. theta energy: -243.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2512.155403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.155403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.155403 (E_RNA) where: Base-Base interactions energy: -1699.782 where: short stacking energy: -743.445 Base-Backbone interact. energy: -3.986 local terms energy: -808.387895 where: bonds (distance) C4'-P energy: -158.793 bonds (distance) P-C4' energy: -157.063 flat angles C4'-P-C4' energy: -184.555 flat angles P-C4'-P energy: -120.108 tors. eta vs tors. theta energy: -187.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2214.931518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.931518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.931518 (E_RNA) where: Base-Base interactions energy: -1435.165 where: short stacking energy: -613.549 Base-Backbone interact. energy: -2.552 local terms energy: -777.215203 where: bonds (distance) C4'-P energy: -145.667 bonds (distance) P-C4' energy: -161.676 flat angles C4'-P-C4' energy: -178.493 flat angles P-C4'-P energy: -127.290 tors. eta vs tors. theta energy: -164.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1950.850306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.850306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.850306 (E_RNA) where: Base-Base interactions energy: -1260.906 where: short stacking energy: -556.837 Base-Backbone interact. energy: -1.041 local terms energy: -688.902700 where: bonds (distance) C4'-P energy: -164.560 bonds (distance) P-C4' energy: -154.306 flat angles C4'-P-C4' energy: -146.830 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -130.400 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: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1472.830243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.830243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.830243 (E_RNA) where: Base-Base interactions energy: -898.651 where: short stacking energy: -392.217 Base-Backbone interact. energy: -1.267 local terms energy: -572.912045 where: bonds (distance) C4'-P energy: -156.863 bonds (distance) P-C4' energy: -149.378 flat angles C4'-P-C4' energy: -129.434 flat angles P-C4'-P energy: -71.857 tors. eta vs tors. theta energy: -65.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -869.263288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.263288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.263288 (E_RNA) where: Base-Base interactions energy: -421.292 where: short stacking energy: -285.126 Base-Backbone interact. energy: 0.941 local terms energy: -448.912346 where: bonds (distance) C4'-P energy: -117.070 bonds (distance) P-C4' energy: -140.545 flat angles C4'-P-C4' energy: -120.175 flat angles P-C4'-P energy: -63.641 tors. eta vs tors. theta energy: -7.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -701.321466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.321466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.321466 (E_RNA) where: Base-Base interactions energy: -271.024 where: short stacking energy: -212.476 Base-Backbone interact. energy: 1.755 local terms energy: -432.052652 where: bonds (distance) C4'-P energy: -141.712 bonds (distance) P-C4' energy: -133.815 flat angles C4'-P-C4' energy: -127.972 flat angles P-C4'-P energy: -58.817 tors. eta vs tors. theta energy: 30.264 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: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3048.677697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.677697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.677697 (E_RNA) where: Base-Base interactions energy: -2075.167 where: short stacking energy: -917.188 Base-Backbone interact. energy: -3.784 local terms energy: -969.726567 where: bonds (distance) C4'-P energy: -179.372 bonds (distance) P-C4' energy: -188.966 flat angles C4'-P-C4' energy: -222.861 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -266.951 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: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2965.129478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.129478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.129478 (E_RNA) where: Base-Base interactions energy: -2045.142 where: short stacking energy: -866.200 Base-Backbone interact. energy: -1.283 local terms energy: -918.704411 where: bonds (distance) C4'-P energy: -167.385 bonds (distance) P-C4' energy: -170.445 flat angles C4'-P-C4' energy: -205.542 flat angles P-C4'-P energy: -115.990 tors. eta vs tors. theta energy: -259.342 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: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2817.303327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.303327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.303327 (E_RNA) where: Base-Base interactions energy: -1888.210 where: short stacking energy: -845.658 Base-Backbone interact. energy: -3.267 local terms energy: -925.826600 where: bonds (distance) C4'-P energy: -174.967 bonds (distance) P-C4' energy: -186.219 flat angles C4'-P-C4' energy: -180.615 flat angles P-C4'-P energy: -131.726 tors. eta vs tors. theta energy: -252.300 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: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2621.493179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.493179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.493179 (E_RNA) where: Base-Base interactions energy: -1717.634 where: short stacking energy: -799.000 Base-Backbone interact. energy: -2.689 local terms energy: -901.169936 where: bonds (distance) C4'-P energy: -165.334 bonds (distance) P-C4' energy: -186.060 flat angles C4'-P-C4' energy: -187.834 flat angles P-C4'-P energy: -126.646 tors. eta vs tors. theta energy: -235.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2513.518629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.518629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.518629 (E_RNA) where: Base-Base interactions energy: -1677.930 where: short stacking energy: -715.548 Base-Backbone interact. energy: 0.744 local terms energy: -836.332838 where: bonds (distance) C4'-P energy: -128.700 bonds (distance) P-C4' energy: -171.961 flat angles C4'-P-C4' energy: -195.538 flat angles P-C4'-P energy: -122.291 tors. eta vs tors. theta energy: -217.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2137.999001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.999001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.999001 (E_RNA) where: Base-Base interactions energy: -1410.434 where: short stacking energy: -598.855 Base-Backbone interact. energy: 2.008 local terms energy: -729.573099 where: bonds (distance) C4'-P energy: -163.059 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -159.973 flat angles P-C4'-P energy: -119.544 tors. eta vs tors. theta energy: -142.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1946.451165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.451165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.451165 (E_RNA) where: Base-Base interactions energy: -1276.771 where: short stacking energy: -563.286 Base-Backbone interact. energy: -4.768 local terms energy: -664.912446 where: bonds (distance) C4'-P energy: -142.846 bonds (distance) P-C4' energy: -161.161 flat angles C4'-P-C4' energy: -142.856 flat angles P-C4'-P energy: -82.137 tors. eta vs tors. theta energy: -135.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1476.798471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.798471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.798471 (E_RNA) where: Base-Base interactions energy: -873.652 where: short stacking energy: -399.394 Base-Backbone interact. energy: 1.729 local terms energy: -604.875798 where: bonds (distance) C4'-P energy: -148.957 bonds (distance) P-C4' energy: -168.634 flat angles C4'-P-C4' energy: -164.273 flat angles P-C4'-P energy: -84.000 tors. eta vs tors. theta energy: -39.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -890.587407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.587407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.587407 (E_RNA) where: Base-Base interactions energy: -412.856 where: short stacking energy: -268.651 Base-Backbone interact. energy: 3.016 local terms energy: -480.748001 where: bonds (distance) C4'-P energy: -142.316 bonds (distance) P-C4' energy: -165.982 flat angles C4'-P-C4' energy: -132.981 flat angles P-C4'-P energy: -61.744 tors. eta vs tors. theta energy: 22.275 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: 278 Temperature: 1.350000 Total energy: -675.471692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.471692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.471692 (E_RNA) where: Base-Base interactions energy: -222.440 where: short stacking energy: -177.389 Base-Backbone interact. energy: -1.018 local terms energy: -452.014098 where: bonds (distance) C4'-P energy: -128.601 bonds (distance) P-C4' energy: -161.895 flat angles C4'-P-C4' energy: -130.991 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: 38.012 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: 1, replica: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3070.968310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.968310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.968310 (E_RNA) where: Base-Base interactions energy: -2093.579 where: short stacking energy: -892.727 Base-Backbone interact. energy: -4.430 local terms energy: -972.959122 where: bonds (distance) C4'-P energy: -175.969 bonds (distance) P-C4' energy: -188.616 flat angles C4'-P-C4' energy: -203.132 flat angles P-C4'-P energy: -145.032 tors. eta vs tors. theta energy: -260.210 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: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2957.815838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.815838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.815838 (E_RNA) where: Base-Base interactions energy: -2009.546 where: short stacking energy: -888.005 Base-Backbone interact. energy: -5.965 local terms energy: -942.304605 where: bonds (distance) C4'-P energy: -170.306 bonds (distance) P-C4' energy: -174.487 flat angles C4'-P-C4' energy: -210.663 flat angles P-C4'-P energy: -117.767 tors. eta vs tors. theta energy: -269.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2768.357352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.357352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.357352 (E_RNA) where: Base-Base interactions energy: -1847.133 where: short stacking energy: -834.253 Base-Backbone interact. energy: -3.713 local terms energy: -917.511594 where: bonds (distance) C4'-P energy: -164.606 bonds (distance) P-C4' energy: -183.349 flat angles C4'-P-C4' energy: -193.493 flat angles P-C4'-P energy: -130.594 tors. eta vs tors. theta energy: -245.471 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: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2616.968425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.968425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.968425 (E_RNA) where: Base-Base interactions energy: -1728.918 where: short stacking energy: -787.400 Base-Backbone interact. energy: -1.972 local terms energy: -886.078200 where: bonds (distance) C4'-P energy: -148.843 bonds (distance) P-C4' energy: -173.078 flat angles C4'-P-C4' energy: -200.528 flat angles P-C4'-P energy: -122.959 tors. eta vs tors. theta energy: -240.670 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: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2502.593600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.593600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.593600 (E_RNA) where: Base-Base interactions energy: -1684.645 where: short stacking energy: -720.209 Base-Backbone interact. energy: -5.073 local terms energy: -812.875808 where: bonds (distance) C4'-P energy: -153.295 bonds (distance) P-C4' energy: -174.168 flat angles C4'-P-C4' energy: -186.225 flat angles P-C4'-P energy: -118.706 tors. eta vs tors. theta energy: -180.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2103.648361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.648361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.648361 (E_RNA) where: Base-Base interactions energy: -1346.080 where: short stacking energy: -600.499 Base-Backbone interact. energy: 0.629 local terms energy: -758.196875 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -175.448 flat angles C4'-P-C4' energy: -176.934 flat angles P-C4'-P energy: -117.499 tors. eta vs tors. theta energy: -138.515 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: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1980.981651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.981651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.981651 (E_RNA) where: Base-Base interactions energy: -1269.666 where: short stacking energy: -583.871 Base-Backbone interact. energy: -0.648 local terms energy: -710.667390 where: bonds (distance) C4'-P energy: -134.976 bonds (distance) P-C4' energy: -149.393 flat angles C4'-P-C4' energy: -160.029 flat angles P-C4'-P energy: -122.939 tors. eta vs tors. theta energy: -143.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1516.530447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.530447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.530447 (E_RNA) where: Base-Base interactions energy: -951.425 where: short stacking energy: -461.022 Base-Backbone interact. energy: 1.698 local terms energy: -566.802668 where: bonds (distance) C4'-P energy: -120.722 bonds (distance) P-C4' energy: -142.423 flat angles C4'-P-C4' energy: -140.148 flat angles P-C4'-P energy: -92.196 tors. eta vs tors. theta energy: -71.313 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: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -865.448037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.448037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.448037 (E_RNA) where: Base-Base interactions energy: -410.619 where: short stacking energy: -240.778 Base-Backbone interact. energy: -0.366 local terms energy: -454.462985 where: bonds (distance) C4'-P energy: -153.315 bonds (distance) P-C4' energy: -140.451 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: 35.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -694.296388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.296388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.296388 (E_RNA) where: Base-Base interactions energy: -221.431 where: short stacking energy: -186.653 Base-Backbone interact. energy: -0.797 local terms energy: -472.068345 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -156.332 flat angles C4'-P-C4' energy: -125.200 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: 39.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3075.022313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.022313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.022313 (E_RNA) where: Base-Base interactions energy: -2103.202 where: short stacking energy: -922.203 Base-Backbone interact. energy: -5.499 local terms energy: -966.321609 where: bonds (distance) C4'-P energy: -179.018 bonds (distance) P-C4' energy: -178.081 flat angles C4'-P-C4' energy: -203.721 flat angles P-C4'-P energy: -133.058 tors. eta vs tors. theta energy: -272.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2943.994372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.994372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.994372 (E_RNA) where: Base-Base interactions energy: -1989.521 where: short stacking energy: -833.259 Base-Backbone interact. energy: -0.418 local terms energy: -954.056067 where: bonds (distance) C4'-P energy: -169.726 bonds (distance) P-C4' energy: -194.308 flat angles C4'-P-C4' energy: -197.099 flat angles P-C4'-P energy: -132.331 tors. eta vs tors. theta energy: -260.592 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: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2789.945532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.945532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.945532 (E_RNA) where: Base-Base interactions energy: -1858.246 where: short stacking energy: -823.497 Base-Backbone interact. energy: -3.831 local terms energy: -927.868302 where: bonds (distance) C4'-P energy: -190.120 bonds (distance) P-C4' energy: -177.639 flat angles C4'-P-C4' energy: -187.974 flat angles P-C4'-P energy: -128.254 tors. eta vs tors. theta energy: -243.882 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2616.329657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.329657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.329657 (E_RNA) where: Base-Base interactions energy: -1748.260 where: short stacking energy: -779.806 Base-Backbone interact. energy: -1.288 local terms energy: -866.781677 where: bonds (distance) C4'-P energy: -161.453 bonds (distance) P-C4' energy: -179.555 flat angles C4'-P-C4' energy: -176.840 flat angles P-C4'-P energy: -123.584 tors. eta vs tors. theta energy: -225.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2477.964183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.964183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.964183 (E_RNA) where: Base-Base interactions energy: -1645.311 where: short stacking energy: -699.528 Base-Backbone interact. energy: -7.248 local terms energy: -825.404711 where: bonds (distance) C4'-P energy: -160.453 bonds (distance) P-C4' energy: -154.349 flat angles C4'-P-C4' energy: -195.569 flat angles P-C4'-P energy: -125.727 tors. eta vs tors. theta energy: -189.307 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: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2121.388685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.388685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.388685 (E_RNA) where: Base-Base interactions energy: -1429.013 where: short stacking energy: -601.800 Base-Backbone interact. energy: 1.109 local terms energy: -693.484159 where: bonds (distance) C4'-P energy: -156.256 bonds (distance) P-C4' energy: -172.824 flat angles C4'-P-C4' energy: -152.502 flat angles P-C4'-P energy: -82.157 tors. eta vs tors. theta energy: -129.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2059.216012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.216012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.216012 (E_RNA) where: Base-Base interactions energy: -1314.605 where: short stacking energy: -591.343 Base-Backbone interact. energy: -3.639 local terms energy: -740.971185 where: bonds (distance) C4'-P energy: -146.844 bonds (distance) P-C4' energy: -169.826 flat angles C4'-P-C4' energy: -164.701 flat angles P-C4'-P energy: -112.147 tors. eta vs tors. theta energy: -147.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1473.964095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.964095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.964095 (E_RNA) where: Base-Base interactions energy: -869.852 where: short stacking energy: -407.456 Base-Backbone interact. energy: -3.869 local terms energy: -600.242597 where: bonds (distance) C4'-P energy: -146.525 bonds (distance) P-C4' energy: -166.892 flat angles C4'-P-C4' energy: -145.112 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -64.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -898.562221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.562221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.562221 (E_RNA) where: Base-Base interactions energy: -413.590 where: short stacking energy: -291.627 Base-Backbone interact. energy: 6.465 local terms energy: -491.437193 where: bonds (distance) C4'-P energy: -128.934 bonds (distance) P-C4' energy: -140.398 flat angles C4'-P-C4' energy: -132.682 flat angles P-C4'-P energy: -82.967 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: 280 Temperature: 1.350000 Total energy: -700.213518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.213518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.213518 (E_RNA) where: Base-Base interactions energy: -262.276 where: short stacking energy: -189.544 Base-Backbone interact. energy: 3.893 local terms energy: -441.830469 where: bonds (distance) C4'-P energy: -138.663 bonds (distance) P-C4' energy: -148.266 flat angles C4'-P-C4' energy: -129.984 flat angles P-C4'-P energy: -67.672 tors. eta vs tors. theta energy: 42.754 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: 281 Temperature: 0.900000 Total energy: -3032.403516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.403516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.403516 (E_RNA) where: Base-Base interactions energy: -2034.187 where: short stacking energy: -882.753 Base-Backbone interact. energy: -5.734 local terms energy: -992.482483 where: bonds (distance) C4'-P energy: -190.900 bonds (distance) P-C4' energy: -184.138 flat angles C4'-P-C4' energy: -211.443 flat angles P-C4'-P energy: -149.565 tors. eta vs tors. theta energy: -256.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2954.690399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.690399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.690399 (E_RNA) where: Base-Base interactions energy: -2019.248 where: short stacking energy: -855.175 Base-Backbone interact. energy: -1.840 local terms energy: -933.601970 where: bonds (distance) C4'-P energy: -169.175 bonds (distance) P-C4' energy: -168.977 flat angles C4'-P-C4' energy: -208.907 flat angles P-C4'-P energy: -134.721 tors. eta vs tors. theta energy: -251.822 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: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2791.992142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.992142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.992142 (E_RNA) where: Base-Base interactions energy: -1865.647 where: short stacking energy: -833.186 Base-Backbone interact. energy: -0.200 local terms energy: -926.145587 where: bonds (distance) C4'-P energy: -170.752 bonds (distance) P-C4' energy: -186.172 flat angles C4'-P-C4' energy: -186.240 flat angles P-C4'-P energy: -132.187 tors. eta vs tors. theta energy: -250.795 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: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2547.460845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.460845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.460845 (E_RNA) where: Base-Base interactions energy: -1658.139 where: short stacking energy: -747.176 Base-Backbone interact. energy: -4.790 local terms energy: -884.532558 where: bonds (distance) C4'-P energy: -169.094 bonds (distance) P-C4' energy: -164.763 flat angles C4'-P-C4' energy: -197.431 flat angles P-C4'-P energy: -136.959 tors. eta vs tors. theta energy: -216.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2485.801587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.801587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.801587 (E_RNA) where: Base-Base interactions energy: -1627.961 where: short stacking energy: -722.511 Base-Backbone interact. energy: -5.422 local terms energy: -852.418642 where: bonds (distance) C4'-P energy: -167.530 bonds (distance) P-C4' energy: -168.115 flat angles C4'-P-C4' energy: -196.831 flat angles P-C4'-P energy: -114.299 tors. eta vs tors. theta energy: -205.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2135.384619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.384619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.384619 (E_RNA) where: Base-Base interactions energy: -1403.738 where: short stacking energy: -594.699 Base-Backbone interact. energy: -2.732 local terms energy: -728.914401 where: bonds (distance) C4'-P energy: -171.672 bonds (distance) P-C4' energy: -164.579 flat angles C4'-P-C4' energy: -152.226 flat angles P-C4'-P energy: -94.456 tors. eta vs tors. theta energy: -145.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2013.539490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.539490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.539490 (E_RNA) where: Base-Base interactions energy: -1257.355 where: short stacking energy: -592.664 Base-Backbone interact. energy: 7.323 local terms energy: -763.507500 where: bonds (distance) C4'-P energy: -180.250 bonds (distance) P-C4' energy: -151.654 flat angles C4'-P-C4' energy: -177.166 flat angles P-C4'-P energy: -117.389 tors. eta vs tors. theta energy: -137.048 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: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1471.891858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.891858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.891858 (E_RNA) where: Base-Base interactions energy: -895.924 where: short stacking energy: -417.029 Base-Backbone interact. energy: -5.525 local terms energy: -570.442644 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -170.462 flat angles C4'-P-C4' energy: -148.487 flat angles P-C4'-P energy: -89.252 tors. eta vs tors. theta energy: -36.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -862.655588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.655588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.655588 (E_RNA) where: Base-Base interactions energy: -373.547 where: short stacking energy: -233.621 Base-Backbone interact. energy: -2.310 local terms energy: -486.798384 where: bonds (distance) C4'-P energy: -140.309 bonds (distance) P-C4' energy: -156.662 flat angles C4'-P-C4' energy: -130.191 flat angles P-C4'-P energy: -75.154 tors. eta vs tors. theta energy: 15.517 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: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -657.432556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.432556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.432556 (E_RNA) where: Base-Base interactions energy: -221.021 where: short stacking energy: -186.322 Base-Backbone interact. energy: 0.070 local terms energy: -436.482037 where: bonds (distance) C4'-P energy: -122.235 bonds (distance) P-C4' energy: -155.656 flat angles C4'-P-C4' energy: -129.294 flat angles P-C4'-P energy: -55.818 tors. eta vs tors. theta energy: 26.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3030.843178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.843178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.843178 (E_RNA) where: Base-Base interactions energy: -2050.580 where: short stacking energy: -913.260 Base-Backbone interact. energy: -5.834 local terms energy: -974.428903 where: bonds (distance) C4'-P energy: -190.309 bonds (distance) P-C4' energy: -184.010 flat angles C4'-P-C4' energy: -199.883 flat angles P-C4'-P energy: -140.000 tors. eta vs tors. theta energy: -260.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2992.014195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.014195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.014195 (E_RNA) where: Base-Base interactions energy: -2046.872 where: short stacking energy: -897.869 Base-Backbone interact. energy: -1.163 local terms energy: -943.978968 where: bonds (distance) C4'-P energy: -173.933 bonds (distance) P-C4' energy: -166.940 flat angles C4'-P-C4' energy: -209.019 flat angles P-C4'-P energy: -138.326 tors. eta vs tors. theta energy: -255.761 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: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2801.470466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.470466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.470466 (E_RNA) where: Base-Base interactions energy: -1882.077 where: short stacking energy: -843.906 Base-Backbone interact. energy: 5.045 local terms energy: -924.438293 where: bonds (distance) C4'-P energy: -170.657 bonds (distance) P-C4' energy: -175.306 flat angles C4'-P-C4' energy: -196.100 flat angles P-C4'-P energy: -130.010 tors. eta vs tors. theta energy: -252.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2545.165248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.165248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.165248 (E_RNA) where: Base-Base interactions energy: -1730.869 where: short stacking energy: -742.080 Base-Backbone interact. energy: -1.040 local terms energy: -813.255769 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -163.755 flat angles C4'-P-C4' energy: -186.195 flat angles P-C4'-P energy: -112.050 tors. eta vs tors. theta energy: -196.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2424.965487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.965487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.965487 (E_RNA) where: Base-Base interactions energy: -1588.574 where: short stacking energy: -713.203 Base-Backbone interact. energy: -0.595 local terms energy: -835.796439 where: bonds (distance) C4'-P energy: -145.049 bonds (distance) P-C4' energy: -171.793 flat angles C4'-P-C4' energy: -181.097 flat angles P-C4'-P energy: -130.387 tors. eta vs tors. theta energy: -207.472 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: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2056.953018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.953018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.953018 (E_RNA) where: Base-Base interactions energy: -1322.850 where: short stacking energy: -578.336 Base-Backbone interact. energy: -2.634 local terms energy: -731.469161 where: bonds (distance) C4'-P energy: -154.412 bonds (distance) P-C4' energy: -174.187 flat angles C4'-P-C4' energy: -163.427 flat angles P-C4'-P energy: -101.821 tors. eta vs tors. theta energy: -137.622 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: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2065.230801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.230801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.230801 (E_RNA) where: Base-Base interactions energy: -1349.452 where: short stacking energy: -613.665 Base-Backbone interact. energy: -3.556 local terms energy: -712.223402 where: bonds (distance) C4'-P energy: -134.447 bonds (distance) P-C4' energy: -149.161 flat angles C4'-P-C4' energy: -168.866 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -157.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1478.254155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.254155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.254155 (E_RNA) where: Base-Base interactions energy: -864.485 where: short stacking energy: -439.600 Base-Backbone interact. energy: 1.888 local terms energy: -615.657641 where: bonds (distance) C4'-P energy: -146.443 bonds (distance) P-C4' energy: -143.677 flat angles C4'-P-C4' energy: -170.513 flat angles P-C4'-P energy: -93.521 tors. eta vs tors. theta energy: -61.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -887.718868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.718868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.718868 (E_RNA) where: Base-Base interactions energy: -373.597 where: short stacking energy: -230.510 Base-Backbone interact. energy: -0.099 local terms energy: -514.022729 where: bonds (distance) C4'-P energy: -128.559 bonds (distance) P-C4' energy: -184.043 flat angles C4'-P-C4' energy: -110.395 flat angles P-C4'-P energy: -106.129 tors. eta vs tors. theta energy: 15.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -724.482783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.482783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.482783 (E_RNA) where: Base-Base interactions energy: -260.177 where: short stacking energy: -192.780 Base-Backbone interact. energy: 0.302 local terms energy: -464.608317 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -155.309 flat angles C4'-P-C4' energy: -134.462 flat angles P-C4'-P energy: -67.129 tors. eta vs tors. theta energy: 19.210 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: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3066.331345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.331345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.331345 (E_RNA) where: Base-Base interactions energy: -2100.852 where: short stacking energy: -911.817 Base-Backbone interact. energy: -6.991 local terms energy: -958.488334 where: bonds (distance) C4'-P energy: -171.135 bonds (distance) P-C4' energy: -177.745 flat angles C4'-P-C4' energy: -217.642 flat angles P-C4'-P energy: -130.425 tors. eta vs tors. theta energy: -261.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2961.644647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.644647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.644647 (E_RNA) where: Base-Base interactions energy: -2004.655 where: short stacking energy: -878.990 Base-Backbone interact. energy: -3.807 local terms energy: -953.182424 where: bonds (distance) C4'-P energy: -176.248 bonds (distance) P-C4' energy: -166.911 flat angles C4'-P-C4' energy: -214.365 flat angles P-C4'-P energy: -129.585 tors. eta vs tors. theta energy: -266.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2770.092220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.092220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.092220 (E_RNA) where: Base-Base interactions energy: -1888.179 where: short stacking energy: -848.925 Base-Backbone interact. energy: -1.155 local terms energy: -880.758819 where: bonds (distance) C4'-P energy: -173.405 bonds (distance) P-C4' energy: -166.802 flat angles C4'-P-C4' energy: -188.326 flat angles P-C4'-P energy: -98.884 tors. eta vs tors. theta energy: -253.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2618.071042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.071042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.071042 (E_RNA) where: Base-Base interactions energy: -1775.699 where: short stacking energy: -760.757 Base-Backbone interact. energy: -0.798 local terms energy: -841.573835 where: bonds (distance) C4'-P energy: -160.604 bonds (distance) P-C4' energy: -161.635 flat angles C4'-P-C4' energy: -171.647 flat angles P-C4'-P energy: -130.429 tors. eta vs tors. theta energy: -217.259 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: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2533.274338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.274338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.274338 (E_RNA) where: Base-Base interactions energy: -1694.542 where: short stacking energy: -776.562 Base-Backbone interact. energy: 1.476 local terms energy: -840.208613 where: bonds (distance) C4'-P energy: -162.996 bonds (distance) P-C4' energy: -160.349 flat angles C4'-P-C4' energy: -178.566 flat angles P-C4'-P energy: -114.241 tors. eta vs tors. theta energy: -224.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2200.556486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.556486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.556486 (E_RNA) where: Base-Base interactions energy: -1410.240 where: short stacking energy: -645.667 Base-Backbone interact. energy: 0.320 local terms energy: -790.637310 where: bonds (distance) C4'-P energy: -184.390 bonds (distance) P-C4' energy: -139.923 flat angles C4'-P-C4' energy: -184.159 flat angles P-C4'-P energy: -101.221 tors. eta vs tors. theta energy: -180.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2044.191150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.191150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.191150 (E_RNA) where: Base-Base interactions energy: -1379.790 where: short stacking energy: -559.727 Base-Backbone interact. energy: 0.312 local terms energy: -664.713110 where: bonds (distance) C4'-P energy: -134.838 bonds (distance) P-C4' energy: -162.076 flat angles C4'-P-C4' energy: -158.828 flat angles P-C4'-P energy: -85.928 tors. eta vs tors. theta energy: -123.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1473.871608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.871608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.871608 (E_RNA) where: Base-Base interactions energy: -847.323 where: short stacking energy: -410.098 Base-Backbone interact. energy: -1.023 local terms energy: -625.525715 where: bonds (distance) C4'-P energy: -145.345 bonds (distance) P-C4' energy: -168.517 flat angles C4'-P-C4' energy: -137.781 flat angles P-C4'-P energy: -95.884 tors. eta vs tors. theta energy: -77.999 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: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -909.998587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.998587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.998587 (E_RNA) where: Base-Base interactions energy: -429.283 where: short stacking energy: -260.933 Base-Backbone interact. energy: -0.107 local terms energy: -480.607779 where: bonds (distance) C4'-P energy: -137.819 bonds (distance) P-C4' energy: -138.703 flat angles C4'-P-C4' energy: -133.431 flat angles P-C4'-P energy: -80.169 tors. eta vs tors. theta energy: 9.514 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: 283 Temperature: 1.350000 Total energy: -759.843032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.843032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.843032 (E_RNA) where: Base-Base interactions energy: -290.990 where: short stacking energy: -203.718 Base-Backbone interact. energy: 9.065 local terms energy: -477.918162 where: bonds (distance) C4'-P energy: -138.916 bonds (distance) P-C4' energy: -138.290 flat angles C4'-P-C4' energy: -136.448 flat angles P-C4'-P energy: -74.048 tors. eta vs tors. theta energy: 9.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3105.037845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.037845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.037845 (E_RNA) where: Base-Base interactions energy: -2131.342 where: short stacking energy: -921.295 Base-Backbone interact. energy: -5.087 local terms energy: -968.608911 where: bonds (distance) C4'-P energy: -185.305 bonds (distance) P-C4' energy: -170.319 flat angles C4'-P-C4' energy: -212.419 flat angles P-C4'-P energy: -126.283 tors. eta vs tors. theta energy: -274.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2964.264838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.264838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.264838 (E_RNA) where: Base-Base interactions energy: -2030.465 where: short stacking energy: -891.129 Base-Backbone interact. energy: -0.854 local terms energy: -932.946101 where: bonds (distance) C4'-P energy: -167.180 bonds (distance) P-C4' energy: -171.906 flat angles C4'-P-C4' energy: -204.877 flat angles P-C4'-P energy: -130.778 tors. eta vs tors. theta energy: -258.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2769.035891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.035891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.035891 (E_RNA) where: Base-Base interactions energy: -1836.039 where: short stacking energy: -854.743 Base-Backbone interact. energy: -3.454 local terms energy: -929.542729 where: bonds (distance) C4'-P energy: -149.550 bonds (distance) P-C4' energy: -172.944 flat angles C4'-P-C4' energy: -213.183 flat angles P-C4'-P energy: -137.244 tors. eta vs tors. theta energy: -256.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2693.002437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.002437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.002437 (E_RNA) where: Base-Base interactions energy: -1833.675 where: short stacking energy: -820.765 Base-Backbone interact. energy: -3.198 local terms energy: -856.128809 where: bonds (distance) C4'-P energy: -173.802 bonds (distance) P-C4' energy: -146.029 flat angles C4'-P-C4' energy: -201.730 flat angles P-C4'-P energy: -110.346 tors. eta vs tors. theta energy: -224.222 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: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2449.089190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.089190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.089190 (E_RNA) where: Base-Base interactions energy: -1600.328 where: short stacking energy: -705.609 Base-Backbone interact. energy: -1.178 local terms energy: -847.583111 where: bonds (distance) C4'-P energy: -155.970 bonds (distance) P-C4' energy: -174.595 flat angles C4'-P-C4' energy: -189.550 flat angles P-C4'-P energy: -120.287 tors. eta vs tors. theta energy: -207.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2236.139422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.139422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.139422 (E_RNA) where: Base-Base interactions energy: -1471.065 where: short stacking energy: -657.728 Base-Backbone interact. energy: -3.968 local terms energy: -761.106452 where: bonds (distance) C4'-P energy: -139.767 bonds (distance) P-C4' energy: -165.266 flat angles C4'-P-C4' energy: -180.607 flat angles P-C4'-P energy: -112.567 tors. eta vs tors. theta energy: -162.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1988.843630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.843630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.843630 (E_RNA) where: Base-Base interactions energy: -1278.582 where: short stacking energy: -538.981 Base-Backbone interact. energy: 0.274 local terms energy: -710.534848 where: bonds (distance) C4'-P energy: -164.031 bonds (distance) P-C4' energy: -172.650 flat angles C4'-P-C4' energy: -157.404 flat angles P-C4'-P energy: -105.075 tors. eta vs tors. theta energy: -111.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1416.895501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.895501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.895501 (E_RNA) where: Base-Base interactions energy: -840.792 where: short stacking energy: -424.275 Base-Backbone interact. energy: -4.718 local terms energy: -571.385387 where: bonds (distance) C4'-P energy: -132.597 bonds (distance) P-C4' energy: -160.875 flat angles C4'-P-C4' energy: -141.112 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: -60.096 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: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -873.427349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.427349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.427349 (E_RNA) where: Base-Base interactions energy: -393.779 where: short stacking energy: -222.612 Base-Backbone interact. energy: -3.827 local terms energy: -475.822210 where: bonds (distance) C4'-P energy: -168.880 bonds (distance) P-C4' energy: -162.812 flat angles C4'-P-C4' energy: -101.863 flat angles P-C4'-P energy: -68.431 tors. eta vs tors. theta energy: 26.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -665.630053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.630053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.630053 (E_RNA) where: Base-Base interactions energy: -233.721 where: short stacking energy: -201.492 Base-Backbone interact. energy: -1.466 local terms energy: -430.443814 where: bonds (distance) C4'-P energy: -157.142 bonds (distance) P-C4' energy: -130.703 flat angles C4'-P-C4' energy: -108.431 flat angles P-C4'-P energy: -78.691 tors. eta vs tors. theta energy: 44.522 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: 285 Temperature: 0.900000 Total energy: -3115.895344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.895344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.895344 (E_RNA) where: Base-Base interactions energy: -2123.079 where: short stacking energy: -924.977 Base-Backbone interact. energy: -5.733 local terms energy: -987.082775 where: bonds (distance) C4'-P energy: -196.713 bonds (distance) P-C4' energy: -182.383 flat angles C4'-P-C4' energy: -211.466 flat angles P-C4'-P energy: -131.143 tors. eta vs tors. theta energy: -265.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2978.093060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.093060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.093060 (E_RNA) where: Base-Base interactions energy: -2028.294 where: short stacking energy: -887.562 Base-Backbone interact. energy: -1.491 local terms energy: -948.307777 where: bonds (distance) C4'-P energy: -174.132 bonds (distance) P-C4' energy: -176.032 flat angles C4'-P-C4' energy: -211.622 flat angles P-C4'-P energy: -122.882 tors. eta vs tors. theta energy: -263.640 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: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2696.272503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.272503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.272503 (E_RNA) where: Base-Base interactions energy: -1786.935 where: short stacking energy: -805.137 Base-Backbone interact. energy: -0.736 local terms energy: -908.601069 where: bonds (distance) C4'-P energy: -185.451 bonds (distance) P-C4' energy: -181.917 flat angles C4'-P-C4' energy: -176.225 flat angles P-C4'-P energy: -116.993 tors. eta vs tors. theta energy: -248.015 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: 4, replica: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2671.015990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.015990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.015990 (E_RNA) where: Base-Base interactions energy: -1780.918 where: short stacking energy: -756.765 Base-Backbone interact. energy: -0.654 local terms energy: -889.443703 where: bonds (distance) C4'-P energy: -161.952 bonds (distance) P-C4' energy: -186.389 flat angles C4'-P-C4' energy: -191.466 flat angles P-C4'-P energy: -119.544 tors. eta vs tors. theta energy: -230.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2370.328725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.328725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.328725 (E_RNA) where: Base-Base interactions energy: -1566.700 where: short stacking energy: -688.107 Base-Backbone interact. energy: 0.032 local terms energy: -803.660526 where: bonds (distance) C4'-P energy: -167.217 bonds (distance) P-C4' energy: -161.545 flat angles C4'-P-C4' energy: -174.872 flat angles P-C4'-P energy: -110.106 tors. eta vs tors. theta energy: -189.920 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: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2238.889389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.889389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.889389 (E_RNA) where: Base-Base interactions energy: -1472.207 where: short stacking energy: -654.543 Base-Backbone interact. energy: -0.678 local terms energy: -766.004294 where: bonds (distance) C4'-P energy: -146.881 bonds (distance) P-C4' energy: -156.345 flat angles C4'-P-C4' energy: -169.803 flat angles P-C4'-P energy: -130.585 tors. eta vs tors. theta energy: -162.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1912.566568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.566568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.566568 (E_RNA) where: Base-Base interactions energy: -1241.544 where: short stacking energy: -554.397 Base-Backbone interact. energy: -2.372 local terms energy: -668.650169 where: bonds (distance) C4'-P energy: -142.602 bonds (distance) P-C4' energy: -143.072 flat angles C4'-P-C4' energy: -164.102 flat angles P-C4'-P energy: -105.880 tors. eta vs tors. theta energy: -112.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1321.288614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.288614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.288614 (E_RNA) where: Base-Base interactions energy: -737.407 where: short stacking energy: -386.476 Base-Backbone interact. energy: -0.842 local terms energy: -583.039377 where: bonds (distance) C4'-P energy: -151.599 bonds (distance) P-C4' energy: -162.867 flat angles C4'-P-C4' energy: -147.874 flat angles P-C4'-P energy: -76.490 tors. eta vs tors. theta energy: -44.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -878.229055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.229055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.229055 (E_RNA) where: Base-Base interactions energy: -393.568 where: short stacking energy: -253.986 Base-Backbone interact. energy: 6.325 local terms energy: -490.985782 where: bonds (distance) C4'-P energy: -145.747 bonds (distance) P-C4' energy: -166.321 flat angles C4'-P-C4' energy: -115.258 flat angles P-C4'-P energy: -77.419 tors. eta vs tors. theta energy: 13.759 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: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -717.296707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.296707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.296707 (E_RNA) where: Base-Base interactions energy: -301.151 where: short stacking energy: -207.955 Base-Backbone interact. energy: -3.694 local terms energy: -412.452092 where: bonds (distance) C4'-P energy: -125.968 bonds (distance) P-C4' energy: -137.830 flat angles C4'-P-C4' energy: -113.095 flat angles P-C4'-P energy: -70.332 tors. eta vs tors. theta energy: 34.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3072.760115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.760115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.760115 (E_RNA) where: Base-Base interactions energy: -2103.055 where: short stacking energy: -905.005 Base-Backbone interact. energy: -2.370 local terms energy: -967.335470 where: bonds (distance) C4'-P energy: -176.770 bonds (distance) P-C4' energy: -182.289 flat angles C4'-P-C4' energy: -208.245 flat angles P-C4'-P energy: -123.208 tors. eta vs tors. theta energy: -276.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2984.838270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.838270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.838270 (E_RNA) where: Base-Base interactions energy: -2029.378 where: short stacking energy: -886.349 Base-Backbone interact. energy: -3.788 local terms energy: -951.672473 where: bonds (distance) C4'-P energy: -185.138 bonds (distance) P-C4' energy: -177.203 flat angles C4'-P-C4' energy: -200.239 flat angles P-C4'-P energy: -124.382 tors. eta vs tors. theta energy: -264.710 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: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2751.122903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.122903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.122903 (E_RNA) where: Base-Base interactions energy: -1871.567 where: short stacking energy: -826.909 Base-Backbone interact. energy: -0.326 local terms energy: -879.229423 where: bonds (distance) C4'-P energy: -151.185 bonds (distance) P-C4' energy: -168.227 flat angles C4'-P-C4' energy: -189.125 flat angles P-C4'-P energy: -124.579 tors. eta vs tors. theta energy: -246.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2684.366313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.366313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.366313 (E_RNA) where: Base-Base interactions energy: -1843.891 where: short stacking energy: -794.839 Base-Backbone interact. energy: -1.365 local terms energy: -839.109900 where: bonds (distance) C4'-P energy: -147.218 bonds (distance) P-C4' energy: -158.732 flat angles C4'-P-C4' energy: -206.947 flat angles P-C4'-P energy: -108.071 tors. eta vs tors. theta energy: -218.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2364.131362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.131362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.131362 (E_RNA) where: Base-Base interactions energy: -1563.584 where: short stacking energy: -696.980 Base-Backbone interact. energy: -6.418 local terms energy: -794.128905 where: bonds (distance) C4'-P energy: -162.953 bonds (distance) P-C4' energy: -162.639 flat angles C4'-P-C4' energy: -177.307 flat angles P-C4'-P energy: -106.079 tors. eta vs tors. theta energy: -185.151 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: 286 Temperature: 1.150000 Total energy: -2157.647736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.647736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.647736 (E_RNA) where: Base-Base interactions energy: -1367.278 where: short stacking energy: -616.219 Base-Backbone interact. energy: -2.270 local terms energy: -788.099556 where: bonds (distance) C4'-P energy: -157.760 bonds (distance) P-C4' energy: -171.646 flat angles C4'-P-C4' energy: -173.438 flat angles P-C4'-P energy: -116.886 tors. eta vs tors. theta energy: -168.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1833.173330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.173330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.173330 (E_RNA) where: Base-Base interactions energy: -1132.019 where: short stacking energy: -502.375 Base-Backbone interact. energy: -1.285 local terms energy: -699.869047 where: bonds (distance) C4'-P energy: -154.206 bonds (distance) P-C4' energy: -150.979 flat angles C4'-P-C4' energy: -169.111 flat angles P-C4'-P energy: -109.378 tors. eta vs tors. theta energy: -116.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1376.018743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.018743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.018743 (E_RNA) where: Base-Base interactions energy: -814.468 where: short stacking energy: -394.030 Base-Backbone interact. energy: 4.435 local terms energy: -565.985878 where: bonds (distance) C4'-P energy: -150.875 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -139.224 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -44.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -863.452684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.452684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.452684 (E_RNA) where: Base-Base interactions energy: -335.755 where: short stacking energy: -208.373 Base-Backbone interact. energy: 2.141 local terms energy: -529.839025 where: bonds (distance) C4'-P energy: -178.614 bonds (distance) P-C4' energy: -155.775 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -81.017 tors. eta vs tors. theta energy: 19.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -734.794615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.794615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.794615 (E_RNA) where: Base-Base interactions energy: -260.569 where: short stacking energy: -192.611 Base-Backbone interact. energy: 4.819 local terms energy: -479.044239 where: bonds (distance) C4'-P energy: -142.557 bonds (distance) P-C4' energy: -163.362 flat angles C4'-P-C4' energy: -143.643 flat angles P-C4'-P energy: -57.344 tors. eta vs tors. theta energy: 27.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3083.059109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.059109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.059109 (E_RNA) where: Base-Base interactions energy: -2103.190 where: short stacking energy: -914.838 Base-Backbone interact. energy: 1.547 local terms energy: -981.415331 where: bonds (distance) C4'-P energy: -193.336 bonds (distance) P-C4' energy: -181.142 flat angles C4'-P-C4' energy: -211.896 flat angles P-C4'-P energy: -126.763 tors. eta vs tors. theta energy: -268.278 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: 287 Temperature: 0.950000 Total energy: -2982.738542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.738542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.738542 (E_RNA) where: Base-Base interactions energy: -2011.542 where: short stacking energy: -877.370 Base-Backbone interact. energy: -2.706 local terms energy: -968.490808 where: bonds (distance) C4'-P energy: -171.804 bonds (distance) P-C4' energy: -191.991 flat angles C4'-P-C4' energy: -199.465 flat angles P-C4'-P energy: -136.087 tors. eta vs tors. theta energy: -269.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2720.052411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.052411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.052411 (E_RNA) where: Base-Base interactions energy: -1829.802 where: short stacking energy: -813.709 Base-Backbone interact. energy: 0.903 local terms energy: -891.153926 where: bonds (distance) C4'-P energy: -171.927 bonds (distance) P-C4' energy: -167.725 flat angles C4'-P-C4' energy: -184.341 flat angles P-C4'-P energy: -122.896 tors. eta vs tors. theta energy: -244.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2739.869113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.869113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.869113 (E_RNA) where: Base-Base interactions energy: -1863.187 where: short stacking energy: -810.777 Base-Backbone interact. energy: -2.960 local terms energy: -873.722189 where: bonds (distance) C4'-P energy: -174.226 bonds (distance) P-C4' energy: -159.686 flat angles C4'-P-C4' energy: -199.091 flat angles P-C4'-P energy: -107.070 tors. eta vs tors. theta energy: -233.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2278.263971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.263971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.263971 (E_RNA) where: Base-Base interactions energy: -1497.366 where: short stacking energy: -686.815 Base-Backbone interact. energy: -4.195 local terms energy: -776.702854 where: bonds (distance) C4'-P energy: -166.781 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -172.899 flat angles P-C4'-P energy: -109.127 tors. eta vs tors. theta energy: -176.923 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: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2103.256567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.256567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.256567 (E_RNA) where: Base-Base interactions energy: -1364.639 where: short stacking energy: -617.540 Base-Backbone interact. energy: -1.836 local terms energy: -736.780615 where: bonds (distance) C4'-P energy: -133.076 bonds (distance) P-C4' energy: -165.949 flat angles C4'-P-C4' energy: -173.808 flat angles P-C4'-P energy: -112.392 tors. eta vs tors. theta energy: -151.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1796.018857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.018857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.018857 (E_RNA) where: Base-Base interactions energy: -1167.536 where: short stacking energy: -531.813 Base-Backbone interact. energy: -2.698 local terms energy: -625.784834 where: bonds (distance) C4'-P energy: -143.769 bonds (distance) P-C4' energy: -154.291 flat angles C4'-P-C4' energy: -135.294 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -97.837 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: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1350.569552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.569552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.569552 (E_RNA) where: Base-Base interactions energy: -760.739 where: short stacking energy: -375.143 Base-Backbone interact. energy: -3.318 local terms energy: -586.512571 where: bonds (distance) C4'-P energy: -148.023 bonds (distance) P-C4' energy: -165.409 flat angles C4'-P-C4' energy: -142.110 flat angles P-C4'-P energy: -86.683 tors. eta vs tors. theta energy: -44.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -894.941535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.941535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.941535 (E_RNA) where: Base-Base interactions energy: -403.980 where: short stacking energy: -240.739 Base-Backbone interact. energy: 1.442 local terms energy: -492.403382 where: bonds (distance) C4'-P energy: -153.800 bonds (distance) P-C4' energy: -138.470 flat angles C4'-P-C4' energy: -133.366 flat angles P-C4'-P energy: -80.575 tors. eta vs tors. theta energy: 13.808 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: 287 Temperature: 1.350000 Total energy: -686.957650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.957650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.957650 (E_RNA) where: Base-Base interactions energy: -254.257 where: short stacking energy: -184.582 Base-Backbone interact. energy: -0.632 local terms energy: -432.068350 where: bonds (distance) C4'-P energy: -147.890 bonds (distance) P-C4' energy: -146.620 flat angles C4'-P-C4' energy: -119.081 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: 43.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3087.437441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.437441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.437441 (E_RNA) where: Base-Base interactions energy: -2114.420 where: short stacking energy: -917.885 Base-Backbone interact. energy: -1.919 local terms energy: -971.098006 where: bonds (distance) C4'-P energy: -172.060 bonds (distance) P-C4' energy: -187.134 flat angles C4'-P-C4' energy: -200.808 flat angles P-C4'-P energy: -135.885 tors. eta vs tors. theta energy: -275.210 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: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2925.784290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.784290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.784290 (E_RNA) where: Base-Base interactions energy: -1986.558 where: short stacking energy: -850.856 Base-Backbone interact. energy: -3.354 local terms energy: -935.871648 where: bonds (distance) C4'-P energy: -181.443 bonds (distance) P-C4' energy: -186.182 flat angles C4'-P-C4' energy: -197.650 flat angles P-C4'-P energy: -125.221 tors. eta vs tors. theta energy: -245.376 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: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2715.846905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.846905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.846905 (E_RNA) where: Base-Base interactions energy: -1811.587 where: short stacking energy: -824.271 Base-Backbone interact. energy: -4.502 local terms energy: -899.757879 where: bonds (distance) C4'-P energy: -166.441 bonds (distance) P-C4' energy: -174.274 flat angles C4'-P-C4' energy: -205.439 flat angles P-C4'-P energy: -108.607 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: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2669.371178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.371178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.371178 (E_RNA) where: Base-Base interactions energy: -1816.799 where: short stacking energy: -772.158 Base-Backbone interact. energy: -2.756 local terms energy: -849.815723 where: bonds (distance) C4'-P energy: -145.515 bonds (distance) P-C4' energy: -164.224 flat angles C4'-P-C4' energy: -206.433 flat angles P-C4'-P energy: -118.839 tors. eta vs tors. theta energy: -214.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2305.003636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.003636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.003636 (E_RNA) where: Base-Base interactions energy: -1528.291 where: short stacking energy: -677.668 Base-Backbone interact. energy: -3.976 local terms energy: -772.735959 where: bonds (distance) C4'-P energy: -128.872 bonds (distance) P-C4' energy: -165.499 flat angles C4'-P-C4' energy: -168.839 flat angles P-C4'-P energy: -109.365 tors. eta vs tors. theta energy: -200.160 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: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2084.650448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.650448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.650448 (E_RNA) where: Base-Base interactions energy: -1330.202 where: short stacking energy: -623.148 Base-Backbone interact. energy: -1.700 local terms energy: -752.748181 where: bonds (distance) C4'-P energy: -167.285 bonds (distance) P-C4' energy: -153.424 flat angles C4'-P-C4' energy: -192.116 flat angles P-C4'-P energy: -89.776 tors. eta vs tors. theta energy: -150.148 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: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1814.930513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.930513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.930513 (E_RNA) where: Base-Base interactions energy: -1125.906 where: short stacking energy: -498.249 Base-Backbone interact. energy: -1.613 local terms energy: -687.411620 where: bonds (distance) C4'-P energy: -151.813 bonds (distance) P-C4' energy: -152.864 flat angles C4'-P-C4' energy: -171.989 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -107.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1407.514893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.514893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.514893 (E_RNA) where: Base-Base interactions energy: -836.740 where: short stacking energy: -407.820 Base-Backbone interact. energy: 3.350 local terms energy: -574.124913 where: bonds (distance) C4'-P energy: -149.526 bonds (distance) P-C4' energy: -162.232 flat angles C4'-P-C4' energy: -136.120 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -46.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -852.666802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.666802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.666802 (E_RNA) where: Base-Base interactions energy: -370.135 where: short stacking energy: -223.683 Base-Backbone interact. energy: 5.120 local terms energy: -487.651744 where: bonds (distance) C4'-P energy: -142.023 bonds (distance) P-C4' energy: -163.950 flat angles C4'-P-C4' energy: -131.691 flat angles P-C4'-P energy: -61.025 tors. eta vs tors. theta energy: 11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -662.280122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.280122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.280122 (E_RNA) where: Base-Base interactions energy: -199.455 where: short stacking energy: -156.386 Base-Backbone interact. energy: -0.518 local terms energy: -462.308059 where: bonds (distance) C4'-P energy: -128.581 bonds (distance) P-C4' energy: -155.718 flat angles C4'-P-C4' energy: -128.037 flat angles P-C4'-P energy: -76.885 tors. eta vs tors. theta energy: 26.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3049.875568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.875568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.875568 (E_RNA) where: Base-Base interactions energy: -2082.051 where: short stacking energy: -893.809 Base-Backbone interact. energy: -6.839 local terms energy: -960.985861 where: bonds (distance) C4'-P energy: -184.844 bonds (distance) P-C4' energy: -188.422 flat angles C4'-P-C4' energy: -202.847 flat angles P-C4'-P energy: -124.175 tors. eta vs tors. theta energy: -260.697 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: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2931.829436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.829436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.829436 (E_RNA) where: Base-Base interactions energy: -1977.170 where: short stacking energy: -879.676 Base-Backbone interact. energy: -1.673 local terms energy: -952.986239 where: bonds (distance) C4'-P energy: -169.750 bonds (distance) P-C4' energy: -187.785 flat angles C4'-P-C4' energy: -195.856 flat angles P-C4'-P energy: -135.723 tors. eta vs tors. theta energy: -263.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2703.454161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.454161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.454161 (E_RNA) where: Base-Base interactions energy: -1808.628 where: short stacking energy: -773.498 Base-Backbone interact. energy: 1.698 local terms energy: -896.524656 where: bonds (distance) C4'-P energy: -181.610 bonds (distance) P-C4' energy: -176.901 flat angles C4'-P-C4' energy: -191.782 flat angles P-C4'-P energy: -126.136 tors. eta vs tors. theta energy: -220.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2648.736956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.736956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.736956 (E_RNA) where: Base-Base interactions energy: -1774.440 where: short stacking energy: -778.132 Base-Backbone interact. energy: 2.024 local terms energy: -876.320560 where: bonds (distance) C4'-P energy: -169.613 bonds (distance) P-C4' energy: -170.252 flat angles C4'-P-C4' energy: -202.286 flat angles P-C4'-P energy: -109.576 tors. eta vs tors. theta energy: -224.594 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: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2303.533586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.533586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.533586 (E_RNA) where: Base-Base interactions energy: -1501.549 where: short stacking energy: -666.616 Base-Backbone interact. energy: -4.323 local terms energy: -797.661228 where: bonds (distance) C4'-P energy: -162.705 bonds (distance) P-C4' energy: -167.401 flat angles C4'-P-C4' energy: -169.877 flat angles P-C4'-P energy: -102.703 tors. eta vs tors. theta energy: -194.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2158.520266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.520266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.520266 (E_RNA) where: Base-Base interactions energy: -1400.754 where: short stacking energy: -613.767 Base-Backbone interact. energy: -4.975 local terms energy: -752.791252 where: bonds (distance) C4'-P energy: -156.762 bonds (distance) P-C4' energy: -161.651 flat angles C4'-P-C4' energy: -164.643 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -163.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1787.289519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.289519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.289519 (E_RNA) where: Base-Base interactions energy: -1091.377 where: short stacking energy: -498.249 Base-Backbone interact. energy: -3.430 local terms energy: -692.482018 where: bonds (distance) C4'-P energy: -162.788 bonds (distance) P-C4' energy: -172.077 flat angles C4'-P-C4' energy: -143.532 flat angles P-C4'-P energy: -103.480 tors. eta vs tors. theta energy: -110.605 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: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1337.032807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.032807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.032807 (E_RNA) where: Base-Base interactions energy: -768.309 where: short stacking energy: -367.115 Base-Backbone interact. energy: 2.084 local terms energy: -570.807847 where: bonds (distance) C4'-P energy: -137.962 bonds (distance) P-C4' energy: -166.834 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -49.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -868.755806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.755806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.755806 (E_RNA) where: Base-Base interactions energy: -386.463 where: short stacking energy: -217.873 Base-Backbone interact. energy: 0.770 local terms energy: -483.063265 where: bonds (distance) C4'-P energy: -152.144 bonds (distance) P-C4' energy: -150.145 flat angles C4'-P-C4' energy: -128.219 flat angles P-C4'-P energy: -75.440 tors. eta vs tors. theta energy: 22.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -648.381598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.381598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.381598 (E_RNA) where: Base-Base interactions energy: -213.304 where: short stacking energy: -177.597 Base-Backbone interact. energy: 3.245 local terms energy: -438.322064 where: bonds (distance) C4'-P energy: -114.592 bonds (distance) P-C4' energy: -152.622 flat angles C4'-P-C4' energy: -133.941 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: 36.517 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: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3079.567337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.567337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.567337 (E_RNA) where: Base-Base interactions energy: -2078.980 where: short stacking energy: -901.806 Base-Backbone interact. energy: 0.485 local terms energy: -1001.072899 where: bonds (distance) C4'-P energy: -198.877 bonds (distance) P-C4' energy: -181.278 flat angles C4'-P-C4' energy: -208.786 flat angles P-C4'-P energy: -142.368 tors. eta vs tors. theta energy: -269.764 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: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2917.410967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.410967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.410967 (E_RNA) where: Base-Base interactions energy: -1985.116 where: short stacking energy: -830.720 Base-Backbone interact. energy: -3.312 local terms energy: -928.982023 where: bonds (distance) C4'-P energy: -173.096 bonds (distance) P-C4' energy: -174.219 flat angles C4'-P-C4' energy: -209.301 flat angles P-C4'-P energy: -128.437 tors. eta vs tors. theta energy: -243.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2695.692913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.692913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.692913 (E_RNA) where: Base-Base interactions energy: -1810.266 where: short stacking energy: -785.026 Base-Backbone interact. energy: -6.210 local terms energy: -879.216707 where: bonds (distance) C4'-P energy: -167.794 bonds (distance) P-C4' energy: -170.169 flat angles C4'-P-C4' energy: -193.304 flat angles P-C4'-P energy: -122.021 tors. eta vs tors. theta energy: -225.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2633.724686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.724686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.724686 (E_RNA) where: Base-Base interactions energy: -1777.305 where: short stacking energy: -766.590 Base-Backbone interact. energy: -3.342 local terms energy: -853.077901 where: bonds (distance) C4'-P energy: -173.829 bonds (distance) P-C4' energy: -169.383 flat angles C4'-P-C4' energy: -177.318 flat angles P-C4'-P energy: -115.850 tors. eta vs tors. theta energy: -216.699 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: 290 Temperature: 1.100000 Total energy: -2245.155869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.155869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.155869 (E_RNA) where: Base-Base interactions energy: -1416.127 where: short stacking energy: -688.863 Base-Backbone interact. energy: -1.975 local terms energy: -827.053873 where: bonds (distance) C4'-P energy: -142.220 bonds (distance) P-C4' energy: -184.118 flat angles C4'-P-C4' energy: -182.238 flat angles P-C4'-P energy: -111.576 tors. eta vs tors. theta energy: -206.902 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: 290 Temperature: 1.150000 Total energy: -2149.709557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.709557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.709557 (E_RNA) where: Base-Base interactions energy: -1417.763 where: short stacking energy: -657.506 Base-Backbone interact. energy: 0.512 local terms energy: -732.458850 where: bonds (distance) C4'-P energy: -148.761 bonds (distance) P-C4' energy: -169.303 flat angles C4'-P-C4' energy: -155.935 flat angles P-C4'-P energy: -97.155 tors. eta vs tors. theta energy: -161.306 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: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1808.128564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.128564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.128564 (E_RNA) where: Base-Base interactions energy: -1159.854 where: short stacking energy: -529.728 Base-Backbone interact. energy: -0.145 local terms energy: -648.129844 where: bonds (distance) C4'-P energy: -127.685 bonds (distance) P-C4' energy: -171.687 flat angles C4'-P-C4' energy: -155.315 flat angles P-C4'-P energy: -89.173 tors. eta vs tors. theta energy: -104.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1318.447795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.447795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.447795 (E_RNA) where: Base-Base interactions energy: -753.350 where: short stacking energy: -374.358 Base-Backbone interact. energy: 5.542 local terms energy: -570.639180 where: bonds (distance) C4'-P energy: -142.567 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -149.260 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -59.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -887.592406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.592406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.592406 (E_RNA) where: Base-Base interactions energy: -384.620 where: short stacking energy: -238.481 Base-Backbone interact. energy: 0.875 local terms energy: -503.847402 where: bonds (distance) C4'-P energy: -141.319 bonds (distance) P-C4' energy: -157.812 flat angles C4'-P-C4' energy: -138.571 flat angles P-C4'-P energy: -77.641 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: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -690.702112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.702112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.702112 (E_RNA) where: Base-Base interactions energy: -233.399 where: short stacking energy: -173.820 Base-Backbone interact. energy: -3.222 local terms energy: -454.080954 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -156.332 flat angles C4'-P-C4' energy: -124.839 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: 52.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3044.760701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.760701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.760701 (E_RNA) where: Base-Base interactions energy: -2081.995 where: short stacking energy: -861.467 Base-Backbone interact. energy: -2.916 local terms energy: -959.849271 where: bonds (distance) C4'-P energy: -201.664 bonds (distance) P-C4' energy: -176.726 flat angles C4'-P-C4' energy: -209.289 flat angles P-C4'-P energy: -112.509 tors. eta vs tors. theta energy: -259.661 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: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2923.166188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.166188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.166188 (E_RNA) where: Base-Base interactions energy: -1976.992 where: short stacking energy: -869.250 Base-Backbone interact. energy: -3.076 local terms energy: -943.098673 where: bonds (distance) C4'-P energy: -164.394 bonds (distance) P-C4' energy: -174.158 flat angles C4'-P-C4' energy: -207.753 flat angles P-C4'-P energy: -139.615 tors. eta vs tors. theta energy: -257.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2720.345915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.345915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.345915 (E_RNA) where: Base-Base interactions energy: -1836.153 where: short stacking energy: -789.161 Base-Backbone interact. energy: 0.593 local terms energy: -884.786443 where: bonds (distance) C4'-P energy: -179.115 bonds (distance) P-C4' energy: -170.948 flat angles C4'-P-C4' energy: -193.580 flat angles P-C4'-P energy: -116.182 tors. eta vs tors. theta energy: -224.961 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: 4, replica: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2634.747620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.747620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.747620 (E_RNA) where: Base-Base interactions energy: -1768.217 where: short stacking energy: -781.845 Base-Backbone interact. energy: 1.290 local terms energy: -867.820448 where: bonds (distance) C4'-P energy: -163.163 bonds (distance) P-C4' energy: -176.689 flat angles C4'-P-C4' energy: -190.838 flat angles P-C4'-P energy: -117.877 tors. eta vs tors. theta energy: -219.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2383.604286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.604286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.604286 (E_RNA) where: Base-Base interactions energy: -1555.699 where: short stacking energy: -714.495 Base-Backbone interact. energy: 0.629 local terms energy: -828.534950 where: bonds (distance) C4'-P energy: -160.729 bonds (distance) P-C4' energy: -160.375 flat angles C4'-P-C4' energy: -183.102 flat angles P-C4'-P energy: -116.311 tors. eta vs tors. theta energy: -208.018 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: 291 Temperature: 1.150000 Total energy: -2175.159136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.159136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.159136 (E_RNA) where: Base-Base interactions energy: -1399.924 where: short stacking energy: -598.256 Base-Backbone interact. energy: -4.661 local terms energy: -770.574197 where: bonds (distance) C4'-P energy: -150.550 bonds (distance) P-C4' energy: -160.452 flat angles C4'-P-C4' energy: -177.843 flat angles P-C4'-P energy: -108.511 tors. eta vs tors. theta energy: -173.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1776.431310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.431310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.431310 (E_RNA) where: Base-Base interactions energy: -1080.544 where: short stacking energy: -490.275 Base-Backbone interact. energy: -1.131 local terms energy: -694.756373 where: bonds (distance) C4'-P energy: -143.356 bonds (distance) P-C4' energy: -156.636 flat angles C4'-P-C4' energy: -167.059 flat angles P-C4'-P energy: -112.731 tors. eta vs tors. theta energy: -114.975 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: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1321.987135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.987135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.987135 (E_RNA) where: Base-Base interactions energy: -761.327 where: short stacking energy: -352.219 Base-Backbone interact. energy: -2.695 local terms energy: -557.965529 where: bonds (distance) C4'-P energy: -148.685 bonds (distance) P-C4' energy: -155.819 flat angles C4'-P-C4' energy: -150.946 flat angles P-C4'-P energy: -79.119 tors. eta vs tors. theta energy: -23.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -971.150265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.150265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.150265 (E_RNA) where: Base-Base interactions energy: -445.568 where: short stacking energy: -278.309 Base-Backbone interact. energy: 3.035 local terms energy: -528.617215 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -181.543 flat angles C4'-P-C4' energy: -130.924 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -8.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -664.210347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.210347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.210347 (E_RNA) where: Base-Base interactions energy: -242.883 where: short stacking energy: -186.906 Base-Backbone interact. energy: 2.715 local terms energy: -424.042890 where: bonds (distance) C4'-P energy: -143.665 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -111.563 flat angles P-C4'-P energy: -65.067 tors. eta vs tors. theta energy: 41.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3038.430670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.430670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.430670 (E_RNA) where: Base-Base interactions energy: -2072.372 where: short stacking energy: -885.196 Base-Backbone interact. energy: -6.208 local terms energy: -959.851035 where: bonds (distance) C4'-P energy: -182.946 bonds (distance) P-C4' energy: -168.842 flat angles C4'-P-C4' energy: -207.167 flat angles P-C4'-P energy: -136.527 tors. eta vs tors. theta energy: -264.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2942.356304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.356304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.356304 (E_RNA) where: Base-Base interactions energy: -2000.910 where: short stacking energy: -846.521 Base-Backbone interact. energy: -7.363 local terms energy: -934.082719 where: bonds (distance) C4'-P energy: -157.225 bonds (distance) P-C4' energy: -179.574 flat angles C4'-P-C4' energy: -201.415 flat angles P-C4'-P energy: -144.537 tors. eta vs tors. theta energy: -251.332 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: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2747.575997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.575997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.575997 (E_RNA) where: Base-Base interactions energy: -1844.330 where: short stacking energy: -813.301 Base-Backbone interact. energy: 0.207 local terms energy: -903.453422 where: bonds (distance) C4'-P energy: -165.417 bonds (distance) P-C4' energy: -170.504 flat angles C4'-P-C4' energy: -196.400 flat angles P-C4'-P energy: -128.308 tors. eta vs tors. theta energy: -242.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2689.463423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.463423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.463423 (E_RNA) where: Base-Base interactions energy: -1833.300 where: short stacking energy: -797.235 Base-Backbone interact. energy: 1.909 local terms energy: -858.072482 where: bonds (distance) C4'-P energy: -167.254 bonds (distance) P-C4' energy: -170.559 flat angles C4'-P-C4' energy: -194.539 flat angles P-C4'-P energy: -110.890 tors. eta vs tors. theta energy: -214.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2392.341948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.341948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.341948 (E_RNA) where: Base-Base interactions energy: -1550.360 where: short stacking energy: -724.631 Base-Backbone interact. energy: -1.536 local terms energy: -840.446222 where: bonds (distance) C4'-P energy: -169.116 bonds (distance) P-C4' energy: -152.584 flat angles C4'-P-C4' energy: -191.173 flat angles P-C4'-P energy: -114.170 tors. eta vs tors. theta energy: -213.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2213.818901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.818901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.818901 (E_RNA) where: Base-Base interactions energy: -1448.430 where: short stacking energy: -651.799 Base-Backbone interact. energy: -2.631 local terms energy: -762.757869 where: bonds (distance) C4'-P energy: -150.407 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -167.003 flat angles P-C4'-P energy: -104.222 tors. eta vs tors. theta energy: -173.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1734.512512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.512512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.512512 (E_RNA) where: Base-Base interactions energy: -1088.801 where: short stacking energy: -544.597 Base-Backbone interact. energy: -1.955 local terms energy: -643.756975 where: bonds (distance) C4'-P energy: -144.647 bonds (distance) P-C4' energy: -162.041 flat angles C4'-P-C4' energy: -135.376 flat angles P-C4'-P energy: -84.331 tors. eta vs tors. theta energy: -117.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1329.724567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.724567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.724567 (E_RNA) where: Base-Base interactions energy: -735.179 where: short stacking energy: -374.460 Base-Backbone interact. energy: -0.174 local terms energy: -594.371684 where: bonds (distance) C4'-P energy: -163.075 bonds (distance) P-C4' energy: -151.144 flat angles C4'-P-C4' energy: -121.327 flat angles P-C4'-P energy: -105.139 tors. eta vs tors. theta energy: -53.687 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: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -925.143581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.143581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.143581 (E_RNA) where: Base-Base interactions energy: -441.680 where: short stacking energy: -267.843 Base-Backbone interact. energy: 2.980 local terms energy: -486.442694 where: bonds (distance) C4'-P energy: -126.250 bonds (distance) P-C4' energy: -156.358 flat angles C4'-P-C4' energy: -122.258 flat angles P-C4'-P energy: -95.914 tors. eta vs tors. theta energy: 14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -651.400239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.400239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.400239 (E_RNA) where: Base-Base interactions energy: -208.819 where: short stacking energy: -191.361 Base-Backbone interact. energy: 0.618 local terms energy: -443.199469 where: bonds (distance) C4'-P energy: -138.504 bonds (distance) P-C4' energy: -168.774 flat angles C4'-P-C4' energy: -107.090 flat angles P-C4'-P energy: -48.910 tors. eta vs tors. theta energy: 20.080 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: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3032.255917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.255917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.255917 (E_RNA) where: Base-Base interactions energy: -2073.821 where: short stacking energy: -902.372 Base-Backbone interact. energy: -4.951 local terms energy: -953.484213 where: bonds (distance) C4'-P energy: -185.577 bonds (distance) P-C4' energy: -173.749 flat angles C4'-P-C4' energy: -209.644 flat angles P-C4'-P energy: -111.810 tors. eta vs tors. theta energy: -272.705 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2913.556506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.556506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.556506 (E_RNA) where: Base-Base interactions energy: -1984.511 where: short stacking energy: -857.671 Base-Backbone interact. energy: -3.855 local terms energy: -925.190487 where: bonds (distance) C4'-P energy: -183.866 bonds (distance) P-C4' energy: -166.219 flat angles C4'-P-C4' energy: -199.901 flat angles P-C4'-P energy: -126.257 tors. eta vs tors. theta energy: -248.948 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: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2803.983394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.983394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.983394 (E_RNA) where: Base-Base interactions energy: -1902.434 where: short stacking energy: -842.469 Base-Backbone interact. energy: -0.741 local terms energy: -900.808651 where: bonds (distance) C4'-P energy: -155.918 bonds (distance) P-C4' energy: -168.504 flat angles C4'-P-C4' energy: -197.675 flat angles P-C4'-P energy: -130.621 tors. eta vs tors. theta energy: -248.090 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: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2678.023591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.023591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.023591 (E_RNA) where: Base-Base interactions energy: -1797.851 where: short stacking energy: -818.290 Base-Backbone interact. energy: -2.017 local terms energy: -878.155288 where: bonds (distance) C4'-P energy: -174.366 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -198.044 flat angles P-C4'-P energy: -113.648 tors. eta vs tors. theta energy: -235.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2387.082525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.082525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.082525 (E_RNA) where: Base-Base interactions energy: -1557.265 where: short stacking energy: -697.584 Base-Backbone interact. energy: -0.457 local terms energy: -829.359874 where: bonds (distance) C4'-P energy: -179.377 bonds (distance) P-C4' energy: -147.992 flat angles C4'-P-C4' energy: -181.166 flat angles P-C4'-P energy: -130.289 tors. eta vs tors. theta energy: -190.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2206.933786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.933786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.933786 (E_RNA) where: Base-Base interactions energy: -1424.407 where: short stacking energy: -652.429 Base-Backbone interact. energy: -2.511 local terms energy: -780.016144 where: bonds (distance) C4'-P energy: -149.079 bonds (distance) P-C4' energy: -193.413 flat angles C4'-P-C4' energy: -171.958 flat angles P-C4'-P energy: -105.983 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: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1625.257279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.257279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.257279 (E_RNA) where: Base-Base interactions energy: -988.472 where: short stacking energy: -455.656 Base-Backbone interact. energy: -4.905 local terms energy: -631.879746 where: bonds (distance) C4'-P energy: -166.473 bonds (distance) P-C4' energy: -153.097 flat angles C4'-P-C4' energy: -143.223 flat angles P-C4'-P energy: -85.621 tors. eta vs tors. theta energy: -83.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1224.158320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.158320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.158320 (E_RNA) where: Base-Base interactions energy: -645.848 where: short stacking energy: -319.780 Base-Backbone interact. energy: 3.657 local terms energy: -581.967259 where: bonds (distance) C4'-P energy: -156.359 bonds (distance) P-C4' energy: -163.258 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -90.275 tors. eta vs tors. theta energy: -42.098 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: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -872.570597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.570597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.570597 (E_RNA) where: Base-Base interactions energy: -379.190 where: short stacking energy: -244.900 Base-Backbone interact. energy: 3.262 local terms energy: -496.642020 where: bonds (distance) C4'-P energy: -144.699 bonds (distance) P-C4' energy: -164.452 flat angles C4'-P-C4' energy: -113.711 flat angles P-C4'-P energy: -95.232 tors. eta vs tors. theta energy: 21.452 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: 293 Temperature: 1.350000 Total energy: -622.098209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.098209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.098209 (E_RNA) where: Base-Base interactions energy: -191.352 where: short stacking energy: -175.942 Base-Backbone interact. energy: -1.578 local terms energy: -429.167941 where: bonds (distance) C4'-P energy: -123.732 bonds (distance) P-C4' energy: -128.758 flat angles C4'-P-C4' energy: -117.920 flat angles P-C4'-P energy: -88.428 tors. eta vs tors. theta energy: 29.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3038.095046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.095046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.095046 (E_RNA) where: Base-Base interactions energy: -2064.703 where: short stacking energy: -913.117 Base-Backbone interact. energy: -5.006 local terms energy: -968.386043 where: bonds (distance) C4'-P energy: -184.457 bonds (distance) P-C4' energy: -175.678 flat angles C4'-P-C4' energy: -208.358 flat angles P-C4'-P energy: -121.259 tors. eta vs tors. theta energy: -278.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2944.674197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.674197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.674197 (E_RNA) where: Base-Base interactions energy: -2009.124 where: short stacking energy: -869.756 Base-Backbone interact. energy: -0.872 local terms energy: -934.677891 where: bonds (distance) C4'-P energy: -170.086 bonds (distance) P-C4' energy: -179.325 flat angles C4'-P-C4' energy: -190.878 flat angles P-C4'-P energy: -133.569 tors. eta vs tors. theta energy: -260.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2801.582955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.582955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.582955 (E_RNA) where: Base-Base interactions energy: -1874.129 where: short stacking energy: -798.530 Base-Backbone interact. energy: -3.266 local terms energy: -924.188217 where: bonds (distance) C4'-P energy: -168.165 bonds (distance) P-C4' energy: -187.771 flat angles C4'-P-C4' energy: -211.044 flat angles P-C4'-P energy: -120.376 tors. eta vs tors. theta energy: -236.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2677.582562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.582562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.582562 (E_RNA) where: Base-Base interactions energy: -1821.751 where: short stacking energy: -815.574 Base-Backbone interact. energy: -3.562 local terms energy: -852.268959 where: bonds (distance) C4'-P energy: -137.038 bonds (distance) P-C4' energy: -158.483 flat angles C4'-P-C4' energy: -202.928 flat angles P-C4'-P energy: -102.929 tors. eta vs tors. theta energy: -250.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2282.612964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.612964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.612964 (E_RNA) where: Base-Base interactions energy: -1472.127 where: short stacking energy: -681.237 Base-Backbone interact. energy: -2.099 local terms energy: -808.386674 where: bonds (distance) C4'-P energy: -147.656 bonds (distance) P-C4' energy: -167.769 flat angles C4'-P-C4' energy: -175.785 flat angles P-C4'-P energy: -124.755 tors. eta vs tors. theta energy: -192.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2196.867311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.867311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.867311 (E_RNA) where: Base-Base interactions energy: -1419.704 where: short stacking energy: -647.974 Base-Backbone interact. energy: -3.299 local terms energy: -773.863714 where: bonds (distance) C4'-P energy: -170.935 bonds (distance) P-C4' energy: -166.046 flat angles C4'-P-C4' energy: -172.617 flat angles P-C4'-P energy: -109.117 tors. eta vs tors. theta energy: -155.148 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: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1588.372580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.372580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.372580 (E_RNA) where: Base-Base interactions energy: -1001.085 where: short stacking energy: -433.193 Base-Backbone interact. energy: 5.618 local terms energy: -592.905558 where: bonds (distance) C4'-P energy: -161.770 bonds (distance) P-C4' energy: -145.144 flat angles C4'-P-C4' energy: -142.969 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: -76.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1335.001938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.001938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.001938 (E_RNA) where: Base-Base interactions energy: -729.903 where: short stacking energy: -363.762 Base-Backbone interact. energy: -3.455 local terms energy: -601.644324 where: bonds (distance) C4'-P energy: -168.477 bonds (distance) P-C4' energy: -153.533 flat angles C4'-P-C4' energy: -125.111 flat angles P-C4'-P energy: -102.574 tors. eta vs tors. theta energy: -51.949 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: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -900.911087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.911087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.911087 (E_RNA) where: Base-Base interactions energy: -406.112 where: short stacking energy: -249.314 Base-Backbone interact. energy: -3.586 local terms energy: -491.213385 where: bonds (distance) C4'-P energy: -157.080 bonds (distance) P-C4' energy: -153.399 flat angles C4'-P-C4' energy: -129.713 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: 2.791 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: 294 Temperature: 1.350000 Total energy: -719.962036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.962036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.962036 (E_RNA) where: Base-Base interactions energy: -265.954 where: short stacking energy: -206.539 Base-Backbone interact. energy: 2.797 local terms energy: -456.805041 where: bonds (distance) C4'-P energy: -167.235 bonds (distance) P-C4' energy: -118.963 flat angles C4'-P-C4' energy: -116.114 flat angles P-C4'-P energy: -71.292 tors. eta vs tors. theta energy: 16.799 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: 295 Temperature: 0.900000 Total energy: -3057.297903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.297903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.297903 (E_RNA) where: Base-Base interactions energy: -2072.149 where: short stacking energy: -917.476 Base-Backbone interact. energy: -3.976 local terms energy: -981.173465 where: bonds (distance) C4'-P energy: -177.593 bonds (distance) P-C4' energy: -189.213 flat angles C4'-P-C4' energy: -207.063 flat angles P-C4'-P energy: -129.362 tors. eta vs tors. theta energy: -277.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2939.809510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.809510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.809510 (E_RNA) where: Base-Base interactions energy: -1997.307 where: short stacking energy: -874.727 Base-Backbone interact. energy: -6.477 local terms energy: -936.025692 where: bonds (distance) C4'-P energy: -177.194 bonds (distance) P-C4' energy: -167.207 flat angles C4'-P-C4' energy: -201.464 flat angles P-C4'-P energy: -128.408 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: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2788.912551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.912551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.912551 (E_RNA) where: Base-Base interactions energy: -1849.498 where: short stacking energy: -794.271 Base-Backbone interact. energy: -2.128 local terms energy: -937.286272 where: bonds (distance) C4'-P energy: -184.740 bonds (distance) P-C4' energy: -187.975 flat angles C4'-P-C4' energy: -191.345 flat angles P-C4'-P energy: -132.042 tors. eta vs tors. theta energy: -241.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2611.752385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.752385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.752385 (E_RNA) where: Base-Base interactions energy: -1765.422 where: short stacking energy: -741.041 Base-Backbone interact. energy: -5.963 local terms energy: -840.367139 where: bonds (distance) C4'-P energy: -178.518 bonds (distance) P-C4' energy: -162.186 flat angles C4'-P-C4' energy: -157.749 flat angles P-C4'-P energy: -118.542 tors. eta vs tors. theta energy: -223.372 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: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2316.072792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.072792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.072792 (E_RNA) where: Base-Base interactions energy: -1531.615 where: short stacking energy: -663.195 Base-Backbone interact. energy: 0.158 local terms energy: -784.615895 where: bonds (distance) C4'-P energy: -146.050 bonds (distance) P-C4' energy: -163.476 flat angles C4'-P-C4' energy: -184.294 flat angles P-C4'-P energy: -110.865 tors. eta vs tors. theta energy: -179.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2239.390572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.390572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.390572 (E_RNA) where: Base-Base interactions energy: -1451.447 where: short stacking energy: -635.926 Base-Backbone interact. energy: 3.854 local terms energy: -791.797732 where: bonds (distance) C4'-P energy: -165.399 bonds (distance) P-C4' energy: -159.195 flat angles C4'-P-C4' energy: -178.372 flat angles P-C4'-P energy: -118.234 tors. eta vs tors. theta energy: -170.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1612.085841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.085841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.085841 (E_RNA) where: Base-Base interactions energy: -975.312 where: short stacking energy: -446.371 Base-Backbone interact. energy: -2.748 local terms energy: -634.025374 where: bonds (distance) C4'-P energy: -150.389 bonds (distance) P-C4' energy: -149.957 flat angles C4'-P-C4' energy: -155.012 flat angles P-C4'-P energy: -93.098 tors. eta vs tors. theta energy: -85.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1328.812084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.812084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.812084 (E_RNA) where: Base-Base interactions energy: -785.983 where: short stacking energy: -375.526 Base-Backbone interact. energy: 0.010 local terms energy: -542.839306 where: bonds (distance) C4'-P energy: -137.924 bonds (distance) P-C4' energy: -143.290 flat angles C4'-P-C4' energy: -148.617 flat angles P-C4'-P energy: -82.603 tors. eta vs tors. theta energy: -30.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -969.698576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.698576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.698576 (E_RNA) where: Base-Base interactions energy: -453.593 where: short stacking energy: -280.100 Base-Backbone interact. energy: -1.083 local terms energy: -515.023120 where: bonds (distance) C4'-P energy: -152.949 bonds (distance) P-C4' energy: -175.281 flat angles C4'-P-C4' energy: -100.179 flat angles P-C4'-P energy: -98.619 tors. eta vs tors. theta energy: 12.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -697.691512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.691512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.691512 (E_RNA) where: Base-Base interactions energy: -228.636 where: short stacking energy: -165.423 Base-Backbone interact. energy: 1.050 local terms energy: -470.105294 where: bonds (distance) C4'-P energy: -142.084 bonds (distance) P-C4' energy: -154.706 flat angles C4'-P-C4' energy: -131.327 flat angles P-C4'-P energy: -83.353 tors. eta vs tors. theta energy: 41.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3038.618223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.618223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.618223 (E_RNA) where: Base-Base interactions energy: -2092.707 where: short stacking energy: -918.428 Base-Backbone interact. energy: -5.703 local terms energy: -940.207663 where: bonds (distance) C4'-P energy: -181.379 bonds (distance) P-C4' energy: -167.125 flat angles C4'-P-C4' energy: -199.968 flat angles P-C4'-P energy: -123.238 tors. eta vs tors. theta energy: -268.497 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: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2904.762518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.762518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.762518 (E_RNA) where: Base-Base interactions energy: -1967.939 where: short stacking energy: -875.895 Base-Backbone interact. energy: -6.077 local terms energy: -930.746511 where: bonds (distance) C4'-P energy: -173.970 bonds (distance) P-C4' energy: -179.688 flat angles C4'-P-C4' energy: -197.011 flat angles P-C4'-P energy: -136.098 tors. eta vs tors. theta energy: -243.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2784.344003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.344003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.344003 (E_RNA) where: Base-Base interactions energy: -1889.492 where: short stacking energy: -823.600 Base-Backbone interact. energy: -1.582 local terms energy: -893.269662 where: bonds (distance) C4'-P energy: -164.922 bonds (distance) P-C4' energy: -152.532 flat angles C4'-P-C4' energy: -209.922 flat angles P-C4'-P energy: -136.407 tors. eta vs tors. theta energy: -229.486 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: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2655.220912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.220912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.220912 (E_RNA) where: Base-Base interactions energy: -1790.520 where: short stacking energy: -769.253 Base-Backbone interact. energy: -4.495 local terms energy: -860.205380 where: bonds (distance) C4'-P energy: -166.730 bonds (distance) P-C4' energy: -163.378 flat angles C4'-P-C4' energy: -191.791 flat angles P-C4'-P energy: -102.392 tors. eta vs tors. theta energy: -235.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2364.646069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.646069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.646069 (E_RNA) where: Base-Base interactions energy: -1570.225 where: short stacking energy: -708.354 Base-Backbone interact. energy: -1.523 local terms energy: -792.897650 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -161.488 flat angles C4'-P-C4' energy: -179.164 flat angles P-C4'-P energy: -109.921 tors. eta vs tors. theta energy: -193.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2166.834247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.834247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.834247 (E_RNA) where: Base-Base interactions energy: -1422.070 where: short stacking energy: -632.060 Base-Backbone interact. energy: 4.939 local terms energy: -749.703979 where: bonds (distance) C4'-P energy: -143.863 bonds (distance) P-C4' energy: -143.728 flat angles C4'-P-C4' energy: -171.056 flat angles P-C4'-P energy: -111.638 tors. eta vs tors. theta energy: -179.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1703.637038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.637038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.637038 (E_RNA) where: Base-Base interactions energy: -1053.631 where: short stacking energy: -495.651 Base-Backbone interact. energy: -3.506 local terms energy: -646.499917 where: bonds (distance) C4'-P energy: -157.041 bonds (distance) P-C4' energy: -147.362 flat angles C4'-P-C4' energy: -160.442 flat angles P-C4'-P energy: -91.649 tors. eta vs tors. theta energy: -90.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1419.174694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.174694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.174694 (E_RNA) where: Base-Base interactions energy: -874.249 where: short stacking energy: -421.867 Base-Backbone interact. energy: 1.317 local terms energy: -546.242753 where: bonds (distance) C4'-P energy: -156.491 bonds (distance) P-C4' energy: -168.817 flat angles C4'-P-C4' energy: -124.442 flat angles P-C4'-P energy: -48.358 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: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -888.554075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.554075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.554075 (E_RNA) where: Base-Base interactions energy: -388.071 where: short stacking energy: -259.786 Base-Backbone interact. energy: -2.134 local terms energy: -498.349367 where: bonds (distance) C4'-P energy: -120.767 bonds (distance) P-C4' energy: -159.719 flat angles C4'-P-C4' energy: -130.881 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: 0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -762.630370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.630370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.630370 (E_RNA) where: Base-Base interactions energy: -329.618 where: short stacking energy: -209.323 Base-Backbone interact. energy: 2.332 local terms energy: -435.344623 where: bonds (distance) C4'-P energy: -132.291 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -128.687 flat angles P-C4'-P energy: -74.120 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: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3075.712412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.712412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.712412 (E_RNA) where: Base-Base interactions energy: -2099.446 where: short stacking energy: -948.522 Base-Backbone interact. energy: -3.909 local terms energy: -972.357404 where: bonds (distance) C4'-P energy: -186.072 bonds (distance) P-C4' energy: -172.571 flat angles C4'-P-C4' energy: -205.761 flat angles P-C4'-P energy: -130.385 tors. eta vs tors. theta energy: -277.569 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2911.141288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.141288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.141288 (E_RNA) where: Base-Base interactions energy: -1983.928 where: short stacking energy: -862.115 Base-Backbone interact. energy: -6.536 local terms energy: -920.677670 where: bonds (distance) C4'-P energy: -161.542 bonds (distance) P-C4' energy: -166.618 flat angles C4'-P-C4' energy: -209.384 flat angles P-C4'-P energy: -134.371 tors. eta vs tors. theta energy: -248.763 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: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2806.336528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.336528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.336528 (E_RNA) where: Base-Base interactions energy: -1922.008 where: short stacking energy: -861.995 Base-Backbone interact. energy: -1.615 local terms energy: -882.713826 where: bonds (distance) C4'-P energy: -161.336 bonds (distance) P-C4' energy: -155.279 flat angles C4'-P-C4' energy: -185.892 flat angles P-C4'-P energy: -139.185 tors. eta vs tors. theta energy: -241.023 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: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2628.984235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.984235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.984235 (E_RNA) where: Base-Base interactions energy: -1766.487 where: short stacking energy: -787.732 Base-Backbone interact. energy: -2.271 local terms energy: -860.226291 where: bonds (distance) C4'-P energy: -167.359 bonds (distance) P-C4' energy: -171.450 flat angles C4'-P-C4' energy: -171.008 flat angles P-C4'-P energy: -132.389 tors. eta vs tors. theta energy: -218.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2407.196422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.196422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.196422 (E_RNA) where: Base-Base interactions energy: -1602.808 where: short stacking energy: -726.839 Base-Backbone interact. energy: -2.349 local terms energy: -802.039958 where: bonds (distance) C4'-P energy: -146.210 bonds (distance) P-C4' energy: -167.048 flat angles C4'-P-C4' energy: -188.940 flat angles P-C4'-P energy: -91.095 tors. eta vs tors. theta energy: -208.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2193.472309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.472309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.472309 (E_RNA) where: Base-Base interactions energy: -1432.300 where: short stacking energy: -642.626 Base-Backbone interact. energy: 1.131 local terms energy: -762.303956 where: bonds (distance) C4'-P energy: -143.453 bonds (distance) P-C4' energy: -147.408 flat angles C4'-P-C4' energy: -174.452 flat angles P-C4'-P energy: -108.982 tors. eta vs tors. theta energy: -188.009 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: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1635.357724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.357724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.357724 (E_RNA) where: Base-Base interactions energy: -999.461 where: short stacking energy: -451.566 Base-Backbone interact. energy: -4.214 local terms energy: -631.682537 where: bonds (distance) C4'-P energy: -135.355 bonds (distance) P-C4' energy: -143.283 flat angles C4'-P-C4' energy: -168.425 flat angles P-C4'-P energy: -108.104 tors. eta vs tors. theta energy: -76.516 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: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1426.775226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.775226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.775226 (E_RNA) where: Base-Base interactions energy: -819.503 where: short stacking energy: -423.756 Base-Backbone interact. energy: -0.494 local terms energy: -606.778953 where: bonds (distance) C4'-P energy: -153.388 bonds (distance) P-C4' energy: -140.453 flat angles C4'-P-C4' energy: -159.981 flat angles P-C4'-P energy: -97.701 tors. eta vs tors. theta energy: -55.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -850.082200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.082200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.082200 (E_RNA) where: Base-Base interactions energy: -368.208 where: short stacking energy: -236.725 Base-Backbone interact. energy: 1.204 local terms energy: -483.077536 where: bonds (distance) C4'-P energy: -129.642 bonds (distance) P-C4' energy: -157.332 flat angles C4'-P-C4' energy: -148.468 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: 2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -825.061673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.061673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.061673 (E_RNA) where: Base-Base interactions energy: -374.367 where: short stacking energy: -222.338 Base-Backbone interact. energy: -1.098 local terms energy: -449.596308 where: bonds (distance) C4'-P energy: -132.451 bonds (distance) P-C4' energy: -158.365 flat angles C4'-P-C4' energy: -117.213 flat angles P-C4'-P energy: -63.129 tors. eta vs tors. theta energy: 21.562 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: 298 Temperature: 0.900000 Total energy: -3104.614251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.614251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.614251 (E_RNA) where: Base-Base interactions energy: -2117.001 where: short stacking energy: -948.200 Base-Backbone interact. energy: -0.686 local terms energy: -986.926802 where: bonds (distance) C4'-P energy: -176.970 bonds (distance) P-C4' energy: -188.639 flat angles C4'-P-C4' energy: -209.504 flat angles P-C4'-P energy: -135.567 tors. eta vs tors. theta energy: -276.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2944.528723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.528723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.528723 (E_RNA) where: Base-Base interactions energy: -2006.952 where: short stacking energy: -864.284 Base-Backbone interact. energy: -3.162 local terms energy: -934.414415 where: bonds (distance) C4'-P energy: -166.457 bonds (distance) P-C4' energy: -180.952 flat angles C4'-P-C4' energy: -214.929 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -252.090 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: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2830.126404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.126404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.126404 (E_RNA) where: Base-Base interactions energy: -1917.313 where: short stacking energy: -833.646 Base-Backbone interact. energy: 4.862 local terms energy: -917.676102 where: bonds (distance) C4'-P energy: -179.108 bonds (distance) P-C4' energy: -170.174 flat angles C4'-P-C4' energy: -189.774 flat angles P-C4'-P energy: -135.800 tors. eta vs tors. theta energy: -242.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2643.934621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.934621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.934621 (E_RNA) where: Base-Base interactions energy: -1779.510 where: short stacking energy: -778.157 Base-Backbone interact. energy: -4.273 local terms energy: -860.151677 where: bonds (distance) C4'-P energy: -161.682 bonds (distance) P-C4' energy: -159.572 flat angles C4'-P-C4' energy: -196.150 flat angles P-C4'-P energy: -113.171 tors. eta vs tors. theta energy: -229.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2403.985933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.985933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.985933 (E_RNA) where: Base-Base interactions energy: -1558.164 where: short stacking energy: -699.091 Base-Backbone interact. energy: 2.706 local terms energy: -848.528034 where: bonds (distance) C4'-P energy: -173.349 bonds (distance) P-C4' energy: -175.190 flat angles C4'-P-C4' energy: -190.449 flat angles P-C4'-P energy: -111.739 tors. eta vs tors. theta energy: -197.801 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: 298 Temperature: 1.150000 Total energy: -2216.874872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.874872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.874872 (E_RNA) where: Base-Base interactions energy: -1470.639 where: short stacking energy: -657.888 Base-Backbone interact. energy: 4.543 local terms energy: -750.779125 where: bonds (distance) C4'-P energy: -145.102 bonds (distance) P-C4' energy: -164.454 flat angles C4'-P-C4' energy: -176.474 flat angles P-C4'-P energy: -106.531 tors. eta vs tors. theta energy: -158.217 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: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1640.468101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.468101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.468101 (E_RNA) where: Base-Base interactions energy: -979.230 where: short stacking energy: -454.282 Base-Backbone interact. energy: -1.908 local terms energy: -659.330253 where: bonds (distance) C4'-P energy: -153.569 bonds (distance) P-C4' energy: -166.087 flat angles C4'-P-C4' energy: -164.275 flat angles P-C4'-P energy: -82.887 tors. eta vs tors. theta energy: -92.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1465.249730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.249730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.249730 (E_RNA) where: Base-Base interactions energy: -893.956 where: short stacking energy: -400.890 Base-Backbone interact. energy: 0.854 local terms energy: -572.147657 where: bonds (distance) C4'-P energy: -163.769 bonds (distance) P-C4' energy: -150.549 flat angles C4'-P-C4' energy: -113.010 flat angles P-C4'-P energy: -84.460 tors. eta vs tors. theta energy: -60.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -837.158634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.158634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.158634 (E_RNA) where: Base-Base interactions energy: -335.572 where: short stacking energy: -248.473 Base-Backbone interact. energy: 2.807 local terms energy: -504.393233 where: bonds (distance) C4'-P energy: -125.752 bonds (distance) P-C4' energy: -164.693 flat angles C4'-P-C4' energy: -130.756 flat angles P-C4'-P energy: -87.628 tors. eta vs tors. theta energy: 4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -808.178014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.178014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.178014 (E_RNA) where: Base-Base interactions energy: -315.633 where: short stacking energy: -194.823 Base-Backbone interact. energy: -5.462 local terms energy: -487.082561 where: bonds (distance) C4'-P energy: -125.044 bonds (distance) P-C4' energy: -161.074 flat angles C4'-P-C4' energy: -149.269 flat angles P-C4'-P energy: -75.689 tors. eta vs tors. theta energy: 23.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3073.805520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.805520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.805520 (E_RNA) where: Base-Base interactions energy: -2104.355 where: short stacking energy: -907.289 Base-Backbone interact. energy: -1.607 local terms energy: -967.842953 where: bonds (distance) C4'-P energy: -193.489 bonds (distance) P-C4' energy: -175.313 flat angles C4'-P-C4' energy: -206.816 flat angles P-C4'-P energy: -120.571 tors. eta vs tors. theta energy: -271.655 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2953.592651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.592651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.592651 (E_RNA) where: Base-Base interactions energy: -2018.643 where: short stacking energy: -857.538 Base-Backbone interact. energy: -2.815 local terms energy: -932.134891 where: bonds (distance) C4'-P energy: -174.703 bonds (distance) P-C4' energy: -185.622 flat angles C4'-P-C4' energy: -196.725 flat angles P-C4'-P energy: -124.456 tors. eta vs tors. theta energy: -250.628 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: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2850.066807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.066807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.066807 (E_RNA) where: Base-Base interactions energy: -1931.603 where: short stacking energy: -816.535 Base-Backbone interact. energy: -2.776 local terms energy: -915.687924 where: bonds (distance) C4'-P energy: -174.532 bonds (distance) P-C4' energy: -170.706 flat angles C4'-P-C4' energy: -206.851 flat angles P-C4'-P energy: -132.210 tors. eta vs tors. theta energy: -231.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2625.895731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.895731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.895731 (E_RNA) where: Base-Base interactions energy: -1836.745 where: short stacking energy: -790.993 Base-Backbone interact. energy: -1.575 local terms energy: -787.576095 where: bonds (distance) C4'-P energy: -155.757 bonds (distance) P-C4' energy: -146.432 flat angles C4'-P-C4' energy: -178.098 flat angles P-C4'-P energy: -103.246 tors. eta vs tors. theta energy: -204.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2371.300671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.300671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.300671 (E_RNA) where: Base-Base interactions energy: -1598.187 where: short stacking energy: -713.387 Base-Backbone interact. energy: 0.393 local terms energy: -773.506968 where: bonds (distance) C4'-P energy: -139.707 bonds (distance) P-C4' energy: -152.653 flat angles C4'-P-C4' energy: -183.354 flat angles P-C4'-P energy: -94.653 tors. eta vs tors. theta energy: -203.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2202.991814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.991814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.991814 (E_RNA) where: Base-Base interactions energy: -1469.729 where: short stacking energy: -673.226 Base-Backbone interact. energy: -0.897 local terms energy: -732.366237 where: bonds (distance) C4'-P energy: -152.589 bonds (distance) P-C4' energy: -154.584 flat angles C4'-P-C4' energy: -162.224 flat angles P-C4'-P energy: -99.309 tors. eta vs tors. theta energy: -163.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1668.444189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.444189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.444189 (E_RNA) where: Base-Base interactions energy: -1027.720 where: short stacking energy: -462.387 Base-Backbone interact. energy: -4.343 local terms energy: -636.380880 where: bonds (distance) C4'-P energy: -154.764 bonds (distance) P-C4' energy: -153.557 flat angles C4'-P-C4' energy: -151.065 flat angles P-C4'-P energy: -101.897 tors. eta vs tors. theta energy: -75.098 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: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1387.748647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.748647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.748647 (E_RNA) where: Base-Base interactions energy: -810.144 where: short stacking energy: -381.824 Base-Backbone interact. energy: -3.575 local terms energy: -574.029736 where: bonds (distance) C4'-P energy: -141.658 bonds (distance) P-C4' energy: -159.301 flat angles C4'-P-C4' energy: -130.584 flat angles P-C4'-P energy: -92.243 tors. eta vs tors. theta energy: -50.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -858.715916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.715916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.715916 (E_RNA) where: Base-Base interactions energy: -370.660 where: short stacking energy: -255.904 Base-Backbone interact. energy: 18.520 local terms energy: -506.575891 where: bonds (distance) C4'-P energy: -123.627 bonds (distance) P-C4' energy: -151.495 flat angles C4'-P-C4' energy: -152.683 flat angles P-C4'-P energy: -82.862 tors. eta vs tors. theta energy: 4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -876.406131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.406131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.406131 (E_RNA) where: Base-Base interactions energy: -420.244 where: short stacking energy: -241.021 Base-Backbone interact. energy: 3.024 local terms energy: -459.186678 where: bonds (distance) C4'-P energy: -160.138 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -120.670 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: 29.942 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: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3074.404418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.404418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.404418 (E_RNA) where: Base-Base interactions energy: -2079.657 where: short stacking energy: -914.177 Base-Backbone interact. energy: -2.931 local terms energy: -991.816260 where: bonds (distance) C4'-P energy: -182.519 bonds (distance) P-C4' energy: -190.628 flat angles C4'-P-C4' energy: -212.810 flat angles P-C4'-P energy: -140.168 tors. eta vs tors. theta energy: -265.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2946.049736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.049736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.049736 (E_RNA) where: Base-Base interactions energy: -1996.307 where: short stacking energy: -853.592 Base-Backbone interact. energy: -1.270 local terms energy: -948.472535 where: bonds (distance) C4'-P energy: -172.786 bonds (distance) P-C4' energy: -174.960 flat angles C4'-P-C4' energy: -208.539 flat angles P-C4'-P energy: -144.603 tors. eta vs tors. theta energy: -247.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2864.611675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.611675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.611675 (E_RNA) where: Base-Base interactions energy: -1961.455 where: short stacking energy: -841.183 Base-Backbone interact. energy: -4.208 local terms energy: -898.948544 where: bonds (distance) C4'-P energy: -160.762 bonds (distance) P-C4' energy: -169.989 flat angles C4'-P-C4' energy: -199.385 flat angles P-C4'-P energy: -126.015 tors. eta vs tors. theta energy: -242.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2650.522622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.522622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.522622 (E_RNA) where: Base-Base interactions energy: -1796.480 where: short stacking energy: -754.034 Base-Backbone interact. energy: -4.847 local terms energy: -849.195048 where: bonds (distance) C4'-P energy: -163.127 bonds (distance) P-C4' energy: -169.344 flat angles C4'-P-C4' energy: -185.229 flat angles P-C4'-P energy: -129.648 tors. eta vs tors. theta energy: -201.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2371.287994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.287994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.287994 (E_RNA) where: Base-Base interactions energy: -1585.824 where: short stacking energy: -694.142 Base-Backbone interact. energy: 4.124 local terms energy: -789.588288 where: bonds (distance) C4'-P energy: -150.485 bonds (distance) P-C4' energy: -154.323 flat angles C4'-P-C4' energy: -182.408 flat angles P-C4'-P energy: -114.044 tors. eta vs tors. theta energy: -188.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2273.409605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.409605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.409605 (E_RNA) where: Base-Base interactions energy: -1480.086 where: short stacking energy: -711.886 Base-Backbone interact. energy: 0.114 local terms energy: -793.436850 where: bonds (distance) C4'-P energy: -147.687 bonds (distance) P-C4' energy: -158.733 flat angles C4'-P-C4' energy: -188.067 flat angles P-C4'-P energy: -120.587 tors. eta vs tors. theta energy: -178.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1718.328992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.328992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.328992 (E_RNA) where: Base-Base interactions energy: -1113.521 where: short stacking energy: -471.997 Base-Backbone interact. energy: 4.165 local terms energy: -608.973356 where: bonds (distance) C4'-P energy: -124.003 bonds (distance) P-C4' energy: -150.149 flat angles C4'-P-C4' energy: -153.151 flat angles P-C4'-P energy: -108.523 tors. eta vs tors. theta energy: -73.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1398.564288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.564288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.564288 (E_RNA) where: Base-Base interactions energy: -825.125 where: short stacking energy: -399.680 Base-Backbone interact. energy: -0.040 local terms energy: -573.399370 where: bonds (distance) C4'-P energy: -147.605 bonds (distance) P-C4' energy: -149.094 flat angles C4'-P-C4' energy: -139.549 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -55.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -978.010257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.010257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.010257 (E_RNA) where: Base-Base interactions energy: -472.183 where: short stacking energy: -250.099 Base-Backbone interact. energy: -2.024 local terms energy: -503.803200 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -164.613 flat angles C4'-P-C4' energy: -137.868 flat angles P-C4'-P energy: -65.414 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -907.704645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.704645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.704645 (E_RNA) where: Base-Base interactions energy: -421.542 where: short stacking energy: -241.226 Base-Backbone interact. energy: 3.845 local terms energy: -490.007540 where: bonds (distance) C4'-P energy: -146.946 bonds (distance) P-C4' energy: -142.104 flat angles C4'-P-C4' energy: -130.189 flat angles P-C4'-P energy: -79.070 tors. eta vs tors. theta energy: 8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3068.069555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.069555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.069555 (E_RNA) where: Base-Base interactions energy: -2114.440 where: short stacking energy: -924.910 Base-Backbone interact. energy: 5.198 local terms energy: -958.827501 where: bonds (distance) C4'-P energy: -181.508 bonds (distance) P-C4' energy: -172.668 flat angles C4'-P-C4' energy: -202.411 flat angles P-C4'-P energy: -135.280 tors. eta vs tors. theta energy: -266.960 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2932.722903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.722903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.722903 (E_RNA) where: Base-Base interactions energy: -2007.485 where: short stacking energy: -876.752 Base-Backbone interact. energy: -0.359 local terms energy: -924.878772 where: bonds (distance) C4'-P energy: -173.607 bonds (distance) P-C4' energy: -175.985 flat angles C4'-P-C4' energy: -195.046 flat angles P-C4'-P energy: -127.589 tors. eta vs tors. theta energy: -252.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2885.060613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.060613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.060613 (E_RNA) where: Base-Base interactions energy: -1950.796 where: short stacking energy: -843.399 Base-Backbone interact. energy: -4.145 local terms energy: -930.119145 where: bonds (distance) C4'-P energy: -187.857 bonds (distance) P-C4' energy: -157.100 flat angles C4'-P-C4' energy: -192.793 flat angles P-C4'-P energy: -135.793 tors. eta vs tors. theta energy: -256.576 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: 301 Temperature: 1.050000 Total energy: -2678.224150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.224150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.224150 (E_RNA) where: Base-Base interactions energy: -1849.281 where: short stacking energy: -799.730 Base-Backbone interact. energy: -0.925 local terms energy: -828.018477 where: bonds (distance) C4'-P energy: -150.182 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -180.609 flat angles P-C4'-P energy: -120.307 tors. eta vs tors. theta energy: -232.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2437.574112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.574112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.574112 (E_RNA) where: Base-Base interactions energy: -1581.551 where: short stacking energy: -704.599 Base-Backbone interact. energy: -2.308 local terms energy: -853.714905 where: bonds (distance) C4'-P energy: -159.658 bonds (distance) P-C4' energy: -178.601 flat angles C4'-P-C4' energy: -178.712 flat angles P-C4'-P energy: -130.548 tors. eta vs tors. theta energy: -206.196 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: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2218.377654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.377654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.377654 (E_RNA) where: Base-Base interactions energy: -1440.267 where: short stacking energy: -688.189 Base-Backbone interact. energy: -2.000 local terms energy: -776.110527 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -158.394 flat angles C4'-P-C4' energy: -181.773 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -178.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1716.635752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.635752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.635752 (E_RNA) where: Base-Base interactions energy: -1069.618 where: short stacking energy: -491.908 Base-Backbone interact. energy: 0.837 local terms energy: -647.855000 where: bonds (distance) C4'-P energy: -154.083 bonds (distance) P-C4' energy: -157.835 flat angles C4'-P-C4' energy: -155.205 flat angles P-C4'-P energy: -92.802 tors. eta vs tors. theta energy: -87.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1350.401709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.401709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.401709 (E_RNA) where: Base-Base interactions energy: -766.375 where: short stacking energy: -358.196 Base-Backbone interact. energy: 0.406 local terms energy: -584.432803 where: bonds (distance) C4'-P energy: -136.689 bonds (distance) P-C4' energy: -176.232 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -88.980 tors. eta vs tors. theta energy: -38.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -975.095124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.095124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.095124 (E_RNA) where: Base-Base interactions energy: -472.296 where: short stacking energy: -297.518 Base-Backbone interact. energy: -1.251 local terms energy: -501.548736 where: bonds (distance) C4'-P energy: -151.179 bonds (distance) P-C4' energy: -166.425 flat angles C4'-P-C4' energy: -134.716 flat angles P-C4'-P energy: -57.289 tors. eta vs tors. theta energy: 8.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -878.798963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.798963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.798963 (E_RNA) where: Base-Base interactions energy: -447.453 where: short stacking energy: -240.476 Base-Backbone interact. energy: 4.534 local terms energy: -435.879351 where: bonds (distance) C4'-P energy: -130.530 bonds (distance) P-C4' energy: -120.813 flat angles C4'-P-C4' energy: -118.148 flat angles P-C4'-P energy: -90.646 tors. eta vs tors. theta energy: 24.257 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: 302 Temperature: 0.900000 Total energy: -3039.492012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.492012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.492012 (E_RNA) where: Base-Base interactions energy: -2071.783 where: short stacking energy: -895.068 Base-Backbone interact. energy: -3.240 local terms energy: -964.468485 where: bonds (distance) C4'-P energy: -181.662 bonds (distance) P-C4' energy: -183.007 flat angles C4'-P-C4' energy: -204.682 flat angles P-C4'-P energy: -129.429 tors. eta vs tors. theta energy: -265.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2963.086245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.086245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.086245 (E_RNA) where: Base-Base interactions energy: -2026.487 where: short stacking energy: -863.205 Base-Backbone interact. energy: -3.280 local terms energy: -933.318991 where: bonds (distance) C4'-P energy: -176.173 bonds (distance) P-C4' energy: -169.855 flat angles C4'-P-C4' energy: -206.245 flat angles P-C4'-P energy: -130.547 tors. eta vs tors. theta energy: -250.499 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: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2862.149885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.149885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.149885 (E_RNA) where: Base-Base interactions energy: -1945.310 where: short stacking energy: -830.314 Base-Backbone interact. energy: -5.857 local terms energy: -910.982137 where: bonds (distance) C4'-P energy: -168.159 bonds (distance) P-C4' energy: -176.767 flat angles C4'-P-C4' energy: -201.095 flat angles P-C4'-P energy: -125.541 tors. eta vs tors. theta energy: -239.420 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: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2667.282151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.282151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.282151 (E_RNA) where: Base-Base interactions energy: -1814.284 where: short stacking energy: -825.580 Base-Backbone interact. energy: 0.763 local terms energy: -853.761850 where: bonds (distance) C4'-P energy: -172.329 bonds (distance) P-C4' energy: -149.496 flat angles C4'-P-C4' energy: -168.476 flat angles P-C4'-P energy: -114.856 tors. eta vs tors. theta energy: -248.606 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: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2379.488967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.488967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.488967 (E_RNA) where: Base-Base interactions energy: -1607.567 where: short stacking energy: -696.096 Base-Backbone interact. energy: -0.986 local terms energy: -770.935958 where: bonds (distance) C4'-P energy: -136.578 bonds (distance) P-C4' energy: -155.126 flat angles C4'-P-C4' energy: -184.398 flat angles P-C4'-P energy: -103.991 tors. eta vs tors. theta energy: -190.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2216.745156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.745156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.745156 (E_RNA) where: Base-Base interactions energy: -1456.534 where: short stacking energy: -636.615 Base-Backbone interact. energy: 0.985 local terms energy: -761.196346 where: bonds (distance) C4'-P energy: -150.459 bonds (distance) P-C4' energy: -171.030 flat angles C4'-P-C4' energy: -158.213 flat angles P-C4'-P energy: -110.355 tors. eta vs tors. theta energy: -171.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1823.120246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.120246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.120246 (E_RNA) where: Base-Base interactions energy: -1184.251 where: short stacking energy: -484.100 Base-Backbone interact. energy: 0.997 local terms energy: -639.866635 where: bonds (distance) C4'-P energy: -134.504 bonds (distance) P-C4' energy: -167.675 flat angles C4'-P-C4' energy: -160.463 flat angles P-C4'-P energy: -93.852 tors. eta vs tors. theta energy: -83.373 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: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1240.247424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.247424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.247424 (E_RNA) where: Base-Base interactions energy: -694.117 where: short stacking energy: -328.630 Base-Backbone interact. energy: -0.483 local terms energy: -545.647260 where: bonds (distance) C4'-P energy: -145.613 bonds (distance) P-C4' energy: -153.943 flat angles C4'-P-C4' energy: -134.529 flat angles P-C4'-P energy: -83.198 tors. eta vs tors. theta energy: -28.364 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: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -988.337400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.337400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.337400 (E_RNA) where: Base-Base interactions energy: -479.470 where: short stacking energy: -258.622 Base-Backbone interact. energy: -2.793 local terms energy: -506.074117 where: bonds (distance) C4'-P energy: -145.259 bonds (distance) P-C4' energy: -172.221 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -78.638 tors. eta vs tors. theta energy: 12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -883.684314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.684314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.684314 (E_RNA) where: Base-Base interactions energy: -426.272 where: short stacking energy: -226.466 Base-Backbone interact. energy: 9.911 local terms energy: -467.322601 where: bonds (distance) C4'-P energy: -120.443 bonds (distance) P-C4' energy: -148.210 flat angles C4'-P-C4' energy: -120.533 flat angles P-C4'-P energy: -88.706 tors. eta vs tors. theta energy: 10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3096.884373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.884373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.884373 (E_RNA) where: Base-Base interactions energy: -2116.672 where: short stacking energy: -929.046 Base-Backbone interact. energy: -4.338 local terms energy: -975.873953 where: bonds (distance) C4'-P energy: -190.698 bonds (distance) P-C4' energy: -179.325 flat angles C4'-P-C4' energy: -206.395 flat angles P-C4'-P energy: -132.334 tors. eta vs tors. theta energy: -267.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2951.186198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.186198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.186198 (E_RNA) where: Base-Base interactions energy: -1999.579 where: short stacking energy: -870.069 Base-Backbone interact. energy: -4.980 local terms energy: -946.627517 where: bonds (distance) C4'-P energy: -180.361 bonds (distance) P-C4' energy: -183.508 flat angles C4'-P-C4' energy: -212.584 flat angles P-C4'-P energy: -130.374 tors. eta vs tors. theta energy: -239.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2868.003205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.003205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.003205 (E_RNA) where: Base-Base interactions energy: -1946.877 where: short stacking energy: -845.965 Base-Backbone interact. energy: -2.090 local terms energy: -919.036567 where: bonds (distance) C4'-P energy: -180.156 bonds (distance) P-C4' energy: -170.830 flat angles C4'-P-C4' energy: -203.430 flat angles P-C4'-P energy: -128.787 tors. eta vs tors. theta energy: -235.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2674.897907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.897907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.897907 (E_RNA) where: Base-Base interactions energy: -1821.716 where: short stacking energy: -824.549 Base-Backbone interact. energy: -1.768 local terms energy: -851.414480 where: bonds (distance) C4'-P energy: -155.527 bonds (distance) P-C4' energy: -163.964 flat angles C4'-P-C4' energy: -195.362 flat angles P-C4'-P energy: -111.491 tors. eta vs tors. theta energy: -225.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2494.804664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.804664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.804664 (E_RNA) where: Base-Base interactions energy: -1631.075 where: short stacking energy: -716.598 Base-Backbone interact. energy: -2.416 local terms energy: -861.313395 where: bonds (distance) C4'-P energy: -159.825 bonds (distance) P-C4' energy: -182.254 flat angles C4'-P-C4' energy: -175.088 flat angles P-C4'-P energy: -136.422 tors. eta vs tors. theta energy: -207.724 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: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2213.034611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.034611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.034611 (E_RNA) where: Base-Base interactions energy: -1446.704 where: short stacking energy: -676.484 Base-Backbone interact. energy: 1.849 local terms energy: -768.179529 where: bonds (distance) C4'-P energy: -149.645 bonds (distance) P-C4' energy: -137.338 flat angles C4'-P-C4' energy: -186.046 flat angles P-C4'-P energy: -117.415 tors. eta vs tors. theta energy: -177.736 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: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1779.016258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.016258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.016258 (E_RNA) where: Base-Base interactions energy: -1139.649 where: short stacking energy: -492.125 Base-Backbone interact. energy: 10.512 local terms energy: -649.880118 where: bonds (distance) C4'-P energy: -163.687 bonds (distance) P-C4' energy: -143.870 flat angles C4'-P-C4' energy: -144.005 flat angles P-C4'-P energy: -108.625 tors. eta vs tors. theta energy: -89.692 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: 303 Temperature: 1.250000 Total energy: -1327.347556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.347556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.347556 (E_RNA) where: Base-Base interactions energy: -747.119 where: short stacking energy: -399.603 Base-Backbone interact. energy: -2.857 local terms energy: -577.371111 where: bonds (distance) C4'-P energy: -144.527 bonds (distance) P-C4' energy: -145.510 flat angles C4'-P-C4' energy: -146.598 flat angles P-C4'-P energy: -101.405 tors. eta vs tors. theta energy: -39.331 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: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -974.896807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.896807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.896807 (E_RNA) where: Base-Base interactions energy: -478.429 where: short stacking energy: -265.298 Base-Backbone interact. energy: 3.458 local terms energy: -499.926358 where: bonds (distance) C4'-P energy: -147.899 bonds (distance) P-C4' energy: -158.232 flat angles C4'-P-C4' energy: -128.016 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: 2.513 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: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -876.651960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.651960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.651960 (E_RNA) where: Base-Base interactions energy: -416.250 where: short stacking energy: -227.329 Base-Backbone interact. energy: 9.764 local terms energy: -470.166081 where: bonds (distance) C4'-P energy: -127.570 bonds (distance) P-C4' energy: -170.305 flat angles C4'-P-C4' energy: -112.683 flat angles P-C4'-P energy: -74.710 tors. eta vs tors. theta energy: 15.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3031.671786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.671786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.671786 (E_RNA) where: Base-Base interactions energy: -2060.663 where: short stacking energy: -900.876 Base-Backbone interact. energy: -2.807 local terms energy: -968.202180 where: bonds (distance) C4'-P energy: -185.604 bonds (distance) P-C4' energy: -188.272 flat angles C4'-P-C4' energy: -200.072 flat angles P-C4'-P energy: -118.820 tors. eta vs tors. theta energy: -275.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2993.022056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.022056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.022056 (E_RNA) where: Base-Base interactions energy: -2039.576 where: short stacking energy: -880.837 Base-Backbone interact. energy: -6.511 local terms energy: -946.934809 where: bonds (distance) C4'-P energy: -186.791 bonds (distance) P-C4' energy: -178.532 flat angles C4'-P-C4' energy: -203.298 flat angles P-C4'-P energy: -130.840 tors. eta vs tors. theta energy: -247.474 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: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2863.749784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.749784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.749784 (E_RNA) where: Base-Base interactions energy: -1908.281 where: short stacking energy: -841.113 Base-Backbone interact. energy: -0.332 local terms energy: -955.136542 where: bonds (distance) C4'-P energy: -170.934 bonds (distance) P-C4' energy: -176.689 flat angles C4'-P-C4' energy: -214.343 flat angles P-C4'-P energy: -143.916 tors. eta vs tors. theta energy: -249.254 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: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2646.050853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.050853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.050853 (E_RNA) where: Base-Base interactions energy: -1784.250 where: short stacking energy: -783.956 Base-Backbone interact. energy: -0.619 local terms energy: -861.181818 where: bonds (distance) C4'-P energy: -182.537 bonds (distance) P-C4' energy: -141.215 flat angles C4'-P-C4' energy: -180.751 flat angles P-C4'-P energy: -122.100 tors. eta vs tors. theta energy: -234.579 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: 304 Temperature: 1.100000 Total energy: -2439.672611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.672611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.672611 (E_RNA) where: Base-Base interactions energy: -1638.379 where: short stacking energy: -701.862 Base-Backbone interact. energy: -5.858 local terms energy: -795.435171 where: bonds (distance) C4'-P energy: -150.226 bonds (distance) P-C4' energy: -145.959 flat angles C4'-P-C4' energy: -193.900 flat angles P-C4'-P energy: -114.862 tors. eta vs tors. theta energy: -190.488 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: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2283.806284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.806284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.806284 (E_RNA) where: Base-Base interactions energy: -1499.014 where: short stacking energy: -680.246 Base-Backbone interact. energy: -1.805 local terms energy: -782.986992 where: bonds (distance) C4'-P energy: -157.429 bonds (distance) P-C4' energy: -154.550 flat angles C4'-P-C4' energy: -181.085 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -183.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1744.929116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.929116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.929116 (E_RNA) where: Base-Base interactions energy: -1099.907 where: short stacking energy: -504.876 Base-Backbone interact. energy: -3.957 local terms energy: -641.065606 where: bonds (distance) C4'-P energy: -144.782 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -161.980 flat angles P-C4'-P energy: -92.680 tors. eta vs tors. theta energy: -89.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1302.142028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.142028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.142028 (E_RNA) where: Base-Base interactions energy: -721.545 where: short stacking energy: -363.765 Base-Backbone interact. energy: -0.591 local terms energy: -580.006025 where: bonds (distance) C4'-P energy: -149.794 bonds (distance) P-C4' energy: -168.760 flat angles C4'-P-C4' energy: -140.782 flat angles P-C4'-P energy: -85.587 tors. eta vs tors. theta energy: -35.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1071.372561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.372561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.372561 (E_RNA) where: Base-Base interactions energy: -552.752 where: short stacking energy: -289.042 Base-Backbone interact. energy: -0.713 local terms energy: -517.906733 where: bonds (distance) C4'-P energy: -132.054 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -156.744 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -922.892249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.892249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.892249 (E_RNA) where: Base-Base interactions energy: -422.815 where: short stacking energy: -234.168 Base-Backbone interact. energy: 5.787 local terms energy: -505.864183 where: bonds (distance) C4'-P energy: -143.230 bonds (distance) P-C4' energy: -160.219 flat angles C4'-P-C4' energy: -125.839 flat angles P-C4'-P energy: -78.633 tors. eta vs tors. theta energy: 2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3085.984218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.984218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.984218 (E_RNA) where: Base-Base interactions energy: -2115.479 where: short stacking energy: -934.472 Base-Backbone interact. energy: -3.045 local terms energy: -967.460255 where: bonds (distance) C4'-P energy: -196.882 bonds (distance) P-C4' energy: -167.691 flat angles C4'-P-C4' energy: -195.219 flat angles P-C4'-P energy: -136.087 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: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2957.026086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.026086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.026086 (E_RNA) where: Base-Base interactions energy: -2027.386 where: short stacking energy: -869.618 Base-Backbone interact. energy: -4.274 local terms energy: -925.365775 where: bonds (distance) C4'-P energy: -175.721 bonds (distance) P-C4' energy: -185.500 flat angles C4'-P-C4' energy: -208.022 flat angles P-C4'-P energy: -113.860 tors. eta vs tors. theta energy: -242.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2896.904493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.904493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.904493 (E_RNA) where: Base-Base interactions energy: -1977.965 where: short stacking energy: -874.064 Base-Backbone interact. energy: -1.235 local terms energy: -917.704154 where: bonds (distance) C4'-P energy: -154.067 bonds (distance) P-C4' energy: -180.858 flat angles C4'-P-C4' energy: -198.192 flat angles P-C4'-P energy: -138.375 tors. eta vs tors. theta energy: -246.213 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: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2644.678117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.678117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.678117 (E_RNA) where: Base-Base interactions energy: -1770.404 where: short stacking energy: -768.397 Base-Backbone interact. energy: 3.327 local terms energy: -877.600821 where: bonds (distance) C4'-P energy: -176.017 bonds (distance) P-C4' energy: -174.769 flat angles C4'-P-C4' energy: -179.864 flat angles P-C4'-P energy: -117.390 tors. eta vs tors. theta energy: -229.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2459.582543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.582543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.582543 (E_RNA) where: Base-Base interactions energy: -1609.597 where: short stacking energy: -710.942 Base-Backbone interact. energy: -2.331 local terms energy: -847.653673 where: bonds (distance) C4'-P energy: -156.564 bonds (distance) P-C4' energy: -162.483 flat angles C4'-P-C4' energy: -199.352 flat angles P-C4'-P energy: -108.536 tors. eta vs tors. theta energy: -220.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2207.100201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.100201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.100201 (E_RNA) where: Base-Base interactions energy: -1448.352 where: short stacking energy: -618.152 Base-Backbone interact. energy: 0.756 local terms energy: -759.504742 where: bonds (distance) C4'-P energy: -155.200 bonds (distance) P-C4' energy: -175.051 flat angles C4'-P-C4' energy: -167.868 flat angles P-C4'-P energy: -105.585 tors. eta vs tors. theta energy: -155.802 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: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1671.334880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.334880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.334880 (E_RNA) where: Base-Base interactions energy: -1020.712 where: short stacking energy: -441.605 Base-Backbone interact. energy: 0.721 local terms energy: -651.343268 where: bonds (distance) C4'-P energy: -142.269 bonds (distance) P-C4' energy: -164.071 flat angles C4'-P-C4' energy: -151.796 flat angles P-C4'-P energy: -102.940 tors. eta vs tors. theta energy: -90.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1334.795681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.795681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.795681 (E_RNA) where: Base-Base interactions energy: -789.532 where: short stacking energy: -419.420 Base-Backbone interact. energy: -1.894 local terms energy: -543.369182 where: bonds (distance) C4'-P energy: -123.072 bonds (distance) P-C4' energy: -155.883 flat angles C4'-P-C4' energy: -139.965 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -48.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1081.754735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.754735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.754735 (E_RNA) where: Base-Base interactions energy: -570.486 where: short stacking energy: -290.049 Base-Backbone interact. energy: 1.253 local terms energy: -512.521132 where: bonds (distance) C4'-P energy: -142.196 bonds (distance) P-C4' energy: -170.128 flat angles C4'-P-C4' energy: -115.760 flat angles P-C4'-P energy: -73.149 tors. eta vs tors. theta energy: -11.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -968.923900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.923900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.923900 (E_RNA) where: Base-Base interactions energy: -467.516 where: short stacking energy: -261.663 Base-Backbone interact. energy: 2.648 local terms energy: -504.056541 where: bonds (distance) C4'-P energy: -146.780 bonds (distance) P-C4' energy: -162.881 flat angles C4'-P-C4' energy: -132.648 flat angles P-C4'-P energy: -65.315 tors. eta vs tors. theta energy: 3.566 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: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3091.698124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.698124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.698124 (E_RNA) where: Base-Base interactions energy: -2107.606 where: short stacking energy: -946.950 Base-Backbone interact. energy: -0.629 local terms energy: -983.463245 where: bonds (distance) C4'-P energy: -175.684 bonds (distance) P-C4' energy: -181.055 flat angles C4'-P-C4' energy: -218.397 flat angles P-C4'-P energy: -130.883 tors. eta vs tors. theta energy: -277.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2931.449228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.449228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.449228 (E_RNA) where: Base-Base interactions energy: -1994.104 where: short stacking energy: -859.846 Base-Backbone interact. energy: -4.304 local terms energy: -933.041771 where: bonds (distance) C4'-P energy: -168.388 bonds (distance) P-C4' energy: -183.857 flat angles C4'-P-C4' energy: -202.041 flat angles P-C4'-P energy: -126.024 tors. eta vs tors. theta energy: -252.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2891.150286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.150286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.150286 (E_RNA) where: Base-Base interactions energy: -1984.097 where: short stacking energy: -815.835 Base-Backbone interact. energy: -4.332 local terms energy: -902.721310 where: bonds (distance) C4'-P energy: -158.878 bonds (distance) P-C4' energy: -173.851 flat angles C4'-P-C4' energy: -196.309 flat angles P-C4'-P energy: -122.219 tors. eta vs tors. theta energy: -251.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2641.089642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.089642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.089642 (E_RNA) where: Base-Base interactions energy: -1779.760 where: short stacking energy: -776.589 Base-Backbone interact. energy: 6.930 local terms energy: -868.259733 where: bonds (distance) C4'-P energy: -166.904 bonds (distance) P-C4' energy: -175.936 flat angles C4'-P-C4' energy: -192.345 flat angles P-C4'-P energy: -124.777 tors. eta vs tors. theta energy: -208.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2456.094029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.094029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.094029 (E_RNA) where: Base-Base interactions energy: -1593.853 where: short stacking energy: -722.794 Base-Backbone interact. energy: -3.558 local terms energy: -858.683591 where: bonds (distance) C4'-P energy: -182.228 bonds (distance) P-C4' energy: -169.533 flat angles C4'-P-C4' energy: -186.129 flat angles P-C4'-P energy: -103.220 tors. eta vs tors. theta energy: -217.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2223.413018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.413018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.413018 (E_RNA) where: Base-Base interactions energy: -1460.929 where: short stacking energy: -652.937 Base-Backbone interact. energy: 2.585 local terms energy: -765.068518 where: bonds (distance) C4'-P energy: -150.472 bonds (distance) P-C4' energy: -177.467 flat angles C4'-P-C4' energy: -166.855 flat angles P-C4'-P energy: -106.638 tors. eta vs tors. theta energy: -163.636 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: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1658.112583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.112583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.112583 (E_RNA) where: Base-Base interactions energy: -988.356 where: short stacking energy: -420.779 Base-Backbone interact. energy: -1.115 local terms energy: -668.641742 where: bonds (distance) C4'-P energy: -168.582 bonds (distance) P-C4' energy: -168.327 flat angles C4'-P-C4' energy: -162.161 flat angles P-C4'-P energy: -79.873 tors. eta vs tors. theta energy: -89.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1319.860119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.860119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.860119 (E_RNA) where: Base-Base interactions energy: -776.429 where: short stacking energy: -401.794 Base-Backbone interact. energy: 10.778 local terms energy: -554.209458 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -144.769 flat angles C4'-P-C4' energy: -144.395 flat angles P-C4'-P energy: -80.565 tors. eta vs tors. theta energy: -53.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1071.285199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.285199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.285199 (E_RNA) where: Base-Base interactions energy: -570.498 where: short stacking energy: -308.320 Base-Backbone interact. energy: 4.050 local terms energy: -504.837100 where: bonds (distance) C4'-P energy: -134.480 bonds (distance) P-C4' energy: -146.004 flat angles C4'-P-C4' energy: -137.323 flat angles P-C4'-P energy: -77.207 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: 306 Temperature: 1.350000 Total energy: -891.261915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.261915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.261915 (E_RNA) where: Base-Base interactions energy: -409.322 where: short stacking energy: -248.023 Base-Backbone interact. energy: 6.597 local terms energy: -488.536590 where: bonds (distance) C4'-P energy: -157.297 bonds (distance) P-C4' energy: -137.601 flat angles C4'-P-C4' energy: -131.916 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: 4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3082.551744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.551744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.551744 (E_RNA) where: Base-Base interactions energy: -2135.362 where: short stacking energy: -918.498 Base-Backbone interact. energy: -1.775 local terms energy: -945.414878 where: bonds (distance) C4'-P energy: -184.295 bonds (distance) P-C4' energy: -169.570 flat angles C4'-P-C4' energy: -201.560 flat angles P-C4'-P energy: -127.525 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: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2992.872450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.872450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.872450 (E_RNA) where: Base-Base interactions energy: -2027.526 where: short stacking energy: -865.363 Base-Backbone interact. energy: 1.977 local terms energy: -967.322929 where: bonds (distance) C4'-P energy: -170.209 bonds (distance) P-C4' energy: -184.137 flat angles C4'-P-C4' energy: -215.247 flat angles P-C4'-P energy: -149.313 tors. eta vs tors. theta energy: -248.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2896.021843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.021843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.021843 (E_RNA) where: Base-Base interactions energy: -1985.657 where: short stacking energy: -848.074 Base-Backbone interact. energy: -5.887 local terms energy: -904.478219 where: bonds (distance) C4'-P energy: -161.385 bonds (distance) P-C4' energy: -174.994 flat angles C4'-P-C4' energy: -192.666 flat angles P-C4'-P energy: -135.327 tors. eta vs tors. theta energy: -240.106 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: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2647.689101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.689101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.689101 (E_RNA) where: Base-Base interactions energy: -1776.087 where: short stacking energy: -782.525 Base-Backbone interact. energy: 1.401 local terms energy: -873.002372 where: bonds (distance) C4'-P energy: -158.663 bonds (distance) P-C4' energy: -161.768 flat angles C4'-P-C4' energy: -196.238 flat angles P-C4'-P energy: -121.590 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: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2433.138137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.138137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.138137 (E_RNA) where: Base-Base interactions energy: -1610.039 where: short stacking energy: -720.524 Base-Backbone interact. energy: -0.826 local terms energy: -822.272579 where: bonds (distance) C4'-P energy: -139.066 bonds (distance) P-C4' energy: -171.576 flat angles C4'-P-C4' energy: -193.742 flat angles P-C4'-P energy: -109.444 tors. eta vs tors. theta energy: -208.444 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: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2210.989997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.989997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.989997 (E_RNA) where: Base-Base interactions energy: -1417.468 where: short stacking energy: -612.177 Base-Backbone interact. energy: 0.612 local terms energy: -794.133846 where: bonds (distance) C4'-P energy: -167.102 bonds (distance) P-C4' energy: -174.458 flat angles C4'-P-C4' energy: -176.838 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -167.229 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: 7, replica: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1729.128224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.128224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.128224 (E_RNA) where: Base-Base interactions energy: -1072.288 where: short stacking energy: -464.341 Base-Backbone interact. energy: -4.542 local terms energy: -652.297837 where: bonds (distance) C4'-P energy: -153.086 bonds (distance) P-C4' energy: -166.199 flat angles C4'-P-C4' energy: -154.228 flat angles P-C4'-P energy: -104.731 tors. eta vs tors. theta energy: -74.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1260.319088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.319088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.319088 (E_RNA) where: Base-Base interactions energy: -716.903 where: short stacking energy: -355.363 Base-Backbone interact. energy: -1.320 local terms energy: -542.095239 where: bonds (distance) C4'-P energy: -123.947 bonds (distance) P-C4' energy: -149.162 flat angles C4'-P-C4' energy: -133.726 flat angles P-C4'-P energy: -83.809 tors. eta vs tors. theta energy: -51.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1063.211993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.211993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.211993 (E_RNA) where: Base-Base interactions energy: -550.925 where: short stacking energy: -284.358 Base-Backbone interact. energy: -4.593 local terms energy: -507.694359 where: bonds (distance) C4'-P energy: -150.824 bonds (distance) P-C4' energy: -140.692 flat angles C4'-P-C4' energy: -129.378 flat angles P-C4'-P energy: -85.879 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -853.137934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.137934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.137934 (E_RNA) where: Base-Base interactions energy: -382.747 where: short stacking energy: -230.227 Base-Backbone interact. energy: 4.797 local terms energy: -475.187671 where: bonds (distance) C4'-P energy: -151.266 bonds (distance) P-C4' energy: -140.906 flat angles C4'-P-C4' energy: -126.761 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: 4.830 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: 308 Temperature: 0.900000 Total energy: -3139.909517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.909517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.909517 (E_RNA) where: Base-Base interactions energy: -2132.823 where: short stacking energy: -925.387 Base-Backbone interact. energy: -2.338 local terms energy: -1004.747672 where: bonds (distance) C4'-P energy: -184.210 bonds (distance) P-C4' energy: -195.053 flat angles C4'-P-C4' energy: -208.677 flat angles P-C4'-P energy: -138.093 tors. eta vs tors. theta energy: -278.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2964.314193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.314193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.314193 (E_RNA) where: Base-Base interactions energy: -2013.293 where: short stacking energy: -834.316 Base-Backbone interact. energy: -4.730 local terms energy: -946.290517 where: bonds (distance) C4'-P energy: -173.468 bonds (distance) P-C4' energy: -193.547 flat angles C4'-P-C4' energy: -207.701 flat angles P-C4'-P energy: -127.256 tors. eta vs tors. theta energy: -244.318 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: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2858.229620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.229620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.229620 (E_RNA) where: Base-Base interactions energy: -1938.169 where: short stacking energy: -793.055 Base-Backbone interact. energy: -0.984 local terms energy: -919.076522 where: bonds (distance) C4'-P energy: -168.725 bonds (distance) P-C4' energy: -182.264 flat angles C4'-P-C4' energy: -196.394 flat angles P-C4'-P energy: -143.443 tors. eta vs tors. theta energy: -228.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2655.150787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.150787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.150787 (E_RNA) where: Base-Base interactions energy: -1763.658 where: short stacking energy: -796.523 Base-Backbone interact. energy: 0.918 local terms energy: -892.410643 where: bonds (distance) C4'-P energy: -163.518 bonds (distance) P-C4' energy: -157.782 flat angles C4'-P-C4' energy: -191.365 flat angles P-C4'-P energy: -133.607 tors. eta vs tors. theta energy: -246.138 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: 308 Temperature: 1.100000 Total energy: -2470.078785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.078785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.078785 (E_RNA) where: Base-Base interactions energy: -1669.966 where: short stacking energy: -723.374 Base-Backbone interact. energy: -1.686 local terms energy: -798.427054 where: bonds (distance) C4'-P energy: -165.405 bonds (distance) P-C4' energy: -139.469 flat angles C4'-P-C4' energy: -183.021 flat angles P-C4'-P energy: -92.814 tors. eta vs tors. theta energy: -217.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2215.662214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.662214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.662214 (E_RNA) where: Base-Base interactions energy: -1479.611 where: short stacking energy: -695.151 Base-Backbone interact. energy: -1.612 local terms energy: -734.439742 where: bonds (distance) C4'-P energy: -140.070 bonds (distance) P-C4' energy: -148.555 flat angles C4'-P-C4' energy: -175.068 flat angles P-C4'-P energy: -101.173 tors. eta vs tors. theta energy: -169.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1645.638966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.638966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.638966 (E_RNA) where: Base-Base interactions energy: -1050.040 where: short stacking energy: -440.781 Base-Backbone interact. energy: -2.140 local terms energy: -593.459356 where: bonds (distance) C4'-P energy: -139.672 bonds (distance) P-C4' energy: -147.660 flat angles C4'-P-C4' energy: -150.465 flat angles P-C4'-P energy: -95.234 tors. eta vs tors. theta energy: -60.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1274.873651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.873651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.873651 (E_RNA) where: Base-Base interactions energy: -725.739 where: short stacking energy: -359.207 Base-Backbone interact. energy: -4.704 local terms energy: -544.430757 where: bonds (distance) C4'-P energy: -155.928 bonds (distance) P-C4' energy: -148.907 flat angles C4'-P-C4' energy: -151.866 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -32.596 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: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1103.620958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.620958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.620958 (E_RNA) where: Base-Base interactions energy: -578.993 where: short stacking energy: -331.688 Base-Backbone interact. energy: 4.216 local terms energy: -528.843979 where: bonds (distance) C4'-P energy: -137.805 bonds (distance) P-C4' energy: -144.366 flat angles C4'-P-C4' energy: -139.221 flat angles P-C4'-P energy: -96.437 tors. eta vs tors. theta energy: -11.015 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: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -825.234079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.234079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.234079 (E_RNA) where: Base-Base interactions energy: -369.814 where: short stacking energy: -221.686 Base-Backbone interact. energy: 2.261 local terms energy: -457.680829 where: bonds (distance) C4'-P energy: -133.574 bonds (distance) P-C4' energy: -146.682 flat angles C4'-P-C4' energy: -108.633 flat angles P-C4'-P energy: -66.879 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3078.349694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.349694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.349694 (E_RNA) where: Base-Base interactions energy: -2085.694 where: short stacking energy: -911.534 Base-Backbone interact. energy: -0.281 local terms energy: -992.373919 where: bonds (distance) C4'-P energy: -184.986 bonds (distance) P-C4' energy: -187.906 flat angles C4'-P-C4' energy: -205.436 flat angles P-C4'-P energy: -136.006 tors. eta vs tors. theta energy: -278.039 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: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2977.688449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.688449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.688449 (E_RNA) where: Base-Base interactions energy: -2038.144 where: short stacking energy: -842.048 Base-Backbone interact. energy: -2.347 local terms energy: -937.197223 where: bonds (distance) C4'-P energy: -172.991 bonds (distance) P-C4' energy: -187.668 flat angles C4'-P-C4' energy: -202.602 flat angles P-C4'-P energy: -133.763 tors. eta vs tors. theta energy: -240.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2886.294500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.294500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.294500 (E_RNA) where: Base-Base interactions energy: -1964.852 where: short stacking energy: -810.288 Base-Backbone interact. energy: -4.189 local terms energy: -917.254154 where: bonds (distance) C4'-P energy: -166.226 bonds (distance) P-C4' energy: -178.302 flat angles C4'-P-C4' energy: -198.925 flat angles P-C4'-P energy: -124.203 tors. eta vs tors. theta energy: -249.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2690.401277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.401277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.401277 (E_RNA) where: Base-Base interactions energy: -1818.652 where: short stacking energy: -786.212 Base-Backbone interact. energy: -1.193 local terms energy: -870.555677 where: bonds (distance) C4'-P energy: -173.521 bonds (distance) P-C4' energy: -169.268 flat angles C4'-P-C4' energy: -182.441 flat angles P-C4'-P energy: -106.757 tors. eta vs tors. theta energy: -238.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2512.546842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.546842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.546842 (E_RNA) where: Base-Base interactions energy: -1665.337 where: short stacking energy: -737.641 Base-Backbone interact. energy: -1.264 local terms energy: -845.945188 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -158.989 flat angles C4'-P-C4' energy: -198.471 flat angles P-C4'-P energy: -116.151 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: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2203.582252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.582252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.582252 (E_RNA) where: Base-Base interactions energy: -1442.389 where: short stacking energy: -665.166 Base-Backbone interact. energy: 0.725 local terms energy: -761.918568 where: bonds (distance) C4'-P energy: -167.215 bonds (distance) P-C4' energy: -168.969 flat angles C4'-P-C4' energy: -160.089 flat angles P-C4'-P energy: -100.241 tors. eta vs tors. theta energy: -165.404 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: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1650.890612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.890612 (E_RNA) where: Base-Base interactions energy: -998.650 where: short stacking energy: -438.686 Base-Backbone interact. energy: -2.641 local terms energy: -649.599458 where: bonds (distance) C4'-P energy: -142.532 bonds (distance) P-C4' energy: -173.398 flat angles C4'-P-C4' energy: -173.459 flat angles P-C4'-P energy: -89.099 tors. eta vs tors. theta energy: -71.111 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: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1295.889185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.889185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.889185 (E_RNA) where: Base-Base interactions energy: -712.876 where: short stacking energy: -361.217 Base-Backbone interact. energy: -3.582 local terms energy: -579.431181 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -148.492 flat angles C4'-P-C4' energy: -158.281 flat angles P-C4'-P energy: -77.187 tors. eta vs tors. theta energy: -59.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -969.620898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.620898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.620898 (E_RNA) where: Base-Base interactions energy: -474.449 where: short stacking energy: -272.758 Base-Backbone interact. energy: 8.310 local terms energy: -503.482267 where: bonds (distance) C4'-P energy: -158.134 bonds (distance) P-C4' energy: -163.943 flat angles C4'-P-C4' energy: -127.569 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: 8.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -824.128351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.128351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.128351 (E_RNA) where: Base-Base interactions energy: -364.168 where: short stacking energy: -224.644 Base-Backbone interact. energy: -1.443 local terms energy: -458.517353 where: bonds (distance) C4'-P energy: -150.285 bonds (distance) P-C4' energy: -137.374 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -65.901 tors. eta vs tors. theta energy: 24.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3094.499948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.499948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.499948 (E_RNA) where: Base-Base interactions energy: -2093.202 where: short stacking energy: -915.059 Base-Backbone interact. energy: -2.401 local terms energy: -998.896488 where: bonds (distance) C4'-P energy: -191.105 bonds (distance) P-C4' energy: -182.549 flat angles C4'-P-C4' energy: -206.081 flat angles P-C4'-P energy: -139.513 tors. eta vs tors. theta energy: -279.648 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: 310 Temperature: 0.950000 Total energy: -2983.383846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.383846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.383846 (E_RNA) where: Base-Base interactions energy: -2014.651 where: short stacking energy: -851.767 Base-Backbone interact. energy: -1.878 local terms energy: -966.855010 where: bonds (distance) C4'-P energy: -177.883 bonds (distance) P-C4' energy: -180.631 flat angles C4'-P-C4' energy: -225.444 flat angles P-C4'-P energy: -136.976 tors. eta vs tors. theta energy: -245.921 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: 310 Temperature: 1.000000 Total energy: -2860.181685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.181685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.181685 (E_RNA) where: Base-Base interactions energy: -1935.030 where: short stacking energy: -809.678 Base-Backbone interact. energy: 2.670 local terms energy: -927.822009 where: bonds (distance) C4'-P energy: -173.701 bonds (distance) P-C4' energy: -186.821 flat angles C4'-P-C4' energy: -208.232 flat angles P-C4'-P energy: -125.122 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: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2671.236287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.236287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.236287 (E_RNA) where: Base-Base interactions energy: -1779.961 where: short stacking energy: -818.248 Base-Backbone interact. energy: 4.754 local terms energy: -896.029360 where: bonds (distance) C4'-P energy: -163.907 bonds (distance) P-C4' energy: -183.528 flat angles C4'-P-C4' energy: -186.733 flat angles P-C4'-P energy: -113.377 tors. eta vs tors. theta energy: -248.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2471.855364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.855364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.855364 (E_RNA) where: Base-Base interactions energy: -1621.403 where: short stacking energy: -746.031 Base-Backbone interact. energy: -1.903 local terms energy: -848.548958 where: bonds (distance) C4'-P energy: -168.922 bonds (distance) P-C4' energy: -165.642 flat angles C4'-P-C4' energy: -189.390 flat angles P-C4'-P energy: -114.527 tors. eta vs tors. theta energy: -210.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2238.609659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.609659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.609659 (E_RNA) where: Base-Base interactions energy: -1479.047 where: short stacking energy: -686.887 Base-Backbone interact. energy: 0.445 local terms energy: -760.007734 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -151.258 flat angles C4'-P-C4' energy: -181.946 flat angles P-C4'-P energy: -127.043 tors. eta vs tors. theta energy: -170.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1678.161174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.161174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.161174 (E_RNA) where: Base-Base interactions energy: -1048.197 where: short stacking energy: -448.146 Base-Backbone interact. energy: 6.101 local terms energy: -636.065707 where: bonds (distance) C4'-P energy: -160.938 bonds (distance) P-C4' energy: -141.023 flat angles C4'-P-C4' energy: -170.254 flat angles P-C4'-P energy: -96.882 tors. eta vs tors. theta energy: -66.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1320.694751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.694751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.694751 (E_RNA) where: Base-Base interactions energy: -731.813 where: short stacking energy: -360.695 Base-Backbone interact. energy: -0.376 local terms energy: -588.506540 where: bonds (distance) C4'-P energy: -141.711 bonds (distance) P-C4' energy: -160.197 flat angles C4'-P-C4' energy: -140.594 flat angles P-C4'-P energy: -101.940 tors. eta vs tors. theta energy: -44.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -979.938660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.938660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.938660 (E_RNA) where: Base-Base interactions energy: -464.475 where: short stacking energy: -265.375 Base-Backbone interact. energy: -0.970 local terms energy: -514.494079 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -152.295 flat angles C4'-P-C4' energy: -130.034 flat angles P-C4'-P energy: -99.131 tors. eta vs tors. theta energy: 8.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -799.974091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.974091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.974091 (E_RNA) where: Base-Base interactions energy: -355.030 where: short stacking energy: -242.593 Base-Backbone interact. energy: -2.223 local terms energy: -442.721503 where: bonds (distance) C4'-P energy: -137.129 bonds (distance) P-C4' energy: -136.956 flat angles C4'-P-C4' energy: -129.303 flat angles P-C4'-P energy: -51.037 tors. eta vs tors. theta energy: 11.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3086.742020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.742020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.742020 (E_RNA) where: Base-Base interactions energy: -2146.020 where: short stacking energy: -916.524 Base-Backbone interact. energy: 0.537 local terms energy: -941.258705 where: bonds (distance) C4'-P energy: -177.725 bonds (distance) P-C4' energy: -169.725 flat angles C4'-P-C4' energy: -189.835 flat angles P-C4'-P energy: -132.285 tors. eta vs tors. theta energy: -271.690 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: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2946.580949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.580949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.580949 (E_RNA) where: Base-Base interactions energy: -2005.912 where: short stacking energy: -865.829 Base-Backbone interact. energy: -2.138 local terms energy: -938.531328 where: bonds (distance) C4'-P energy: -159.999 bonds (distance) P-C4' energy: -178.570 flat angles C4'-P-C4' energy: -200.416 flat angles P-C4'-P energy: -140.388 tors. eta vs tors. theta energy: -259.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2843.420069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.420069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.420069 (E_RNA) where: Base-Base interactions energy: -1937.191 where: short stacking energy: -827.900 Base-Backbone interact. energy: 0.500 local terms energy: -906.729724 where: bonds (distance) C4'-P energy: -162.993 bonds (distance) P-C4' energy: -192.242 flat angles C4'-P-C4' energy: -181.849 flat angles P-C4'-P energy: -120.580 tors. eta vs tors. theta energy: -249.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2669.789243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.789243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.789243 (E_RNA) where: Base-Base interactions energy: -1775.797 where: short stacking energy: -787.575 Base-Backbone interact. energy: 1.063 local terms energy: -895.055213 where: bonds (distance) C4'-P energy: -175.503 bonds (distance) P-C4' energy: -179.195 flat angles C4'-P-C4' energy: -168.566 flat angles P-C4'-P energy: -127.093 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: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2465.116953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.116953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.116953 (E_RNA) where: Base-Base interactions energy: -1655.162 where: short stacking energy: -772.615 Base-Backbone interact. energy: 0.508 local terms energy: -810.462261 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -160.618 flat angles C4'-P-C4' energy: -184.646 flat angles P-C4'-P energy: -105.218 tors. eta vs tors. theta energy: -214.667 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: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2210.482122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.482122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.482122 (E_RNA) where: Base-Base interactions energy: -1460.099 where: short stacking energy: -623.375 Base-Backbone interact. energy: -1.296 local terms energy: -749.087636 where: bonds (distance) C4'-P energy: -157.042 bonds (distance) P-C4' energy: -160.805 flat angles C4'-P-C4' energy: -171.015 flat angles P-C4'-P energy: -97.962 tors. eta vs tors. theta energy: -162.264 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: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1685.987304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.987304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.987304 (E_RNA) where: Base-Base interactions energy: -1008.533 where: short stacking energy: -450.655 Base-Backbone interact. energy: -3.744 local terms energy: -673.709538 where: bonds (distance) C4'-P energy: -161.022 bonds (distance) P-C4' energy: -170.103 flat angles C4'-P-C4' energy: -168.524 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -97.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1324.960471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.960471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.960471 (E_RNA) where: Base-Base interactions energy: -731.682 where: short stacking energy: -350.548 Base-Backbone interact. energy: -2.443 local terms energy: -590.835073 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -163.779 flat angles C4'-P-C4' energy: -156.404 flat angles P-C4'-P energy: -105.426 tors. eta vs tors. theta energy: -25.952 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: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -975.859344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.859344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.859344 (E_RNA) where: Base-Base interactions energy: -461.300 where: short stacking energy: -269.003 Base-Backbone interact. energy: 3.497 local terms energy: -518.056149 where: bonds (distance) C4'-P energy: -151.201 bonds (distance) P-C4' energy: -152.695 flat angles C4'-P-C4' energy: -142.646 flat angles P-C4'-P energy: -70.155 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -783.538394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.538394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.538394 (E_RNA) where: Base-Base interactions energy: -315.585 where: short stacking energy: -220.249 Base-Backbone interact. energy: 3.061 local terms energy: -471.014243 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -157.538 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: 16.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3073.784148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.784148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.784148 (E_RNA) where: Base-Base interactions energy: -2093.887 where: short stacking energy: -913.232 Base-Backbone interact. energy: -4.542 local terms energy: -975.355403 where: bonds (distance) C4'-P energy: -179.380 bonds (distance) P-C4' energy: -183.772 flat angles C4'-P-C4' energy: -212.548 flat angles P-C4'-P energy: -130.915 tors. eta vs tors. theta energy: -268.739 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: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2999.614960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.614960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.614960 (E_RNA) where: Base-Base interactions energy: -2043.596 where: short stacking energy: -887.056 Base-Backbone interact. energy: -2.638 local terms energy: -953.380299 where: bonds (distance) C4'-P energy: -177.979 bonds (distance) P-C4' energy: -177.098 flat angles C4'-P-C4' energy: -206.287 flat angles P-C4'-P energy: -139.551 tors. eta vs tors. theta energy: -252.465 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: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2845.768892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.768892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.768892 (E_RNA) where: Base-Base interactions energy: -1943.389 where: short stacking energy: -859.020 Base-Backbone interact. energy: -2.876 local terms energy: -899.503967 where: bonds (distance) C4'-P energy: -171.005 bonds (distance) P-C4' energy: -155.545 flat angles C4'-P-C4' energy: -198.150 flat angles P-C4'-P energy: -117.757 tors. eta vs tors. theta energy: -257.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2683.194245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.194245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.194245 (E_RNA) where: Base-Base interactions energy: -1807.974 where: short stacking energy: -800.723 Base-Backbone interact. energy: 4.125 local terms energy: -879.345831 where: bonds (distance) C4'-P energy: -164.235 bonds (distance) P-C4' energy: -160.993 flat angles C4'-P-C4' energy: -189.571 flat angles P-C4'-P energy: -130.447 tors. eta vs tors. theta energy: -234.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2449.073839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.073839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.073839 (E_RNA) where: Base-Base interactions energy: -1592.538 where: short stacking energy: -736.167 Base-Backbone interact. energy: -4.599 local terms energy: -851.937048 where: bonds (distance) C4'-P energy: -159.163 bonds (distance) P-C4' energy: -170.357 flat angles C4'-P-C4' energy: -180.315 flat angles P-C4'-P energy: -138.033 tors. eta vs tors. theta energy: -204.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2232.923310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.923310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.923310 (E_RNA) where: Base-Base interactions energy: -1489.121 where: short stacking energy: -627.514 Base-Backbone interact. energy: -3.803 local terms energy: -739.999117 where: bonds (distance) C4'-P energy: -152.410 bonds (distance) P-C4' energy: -156.198 flat angles C4'-P-C4' energy: -170.998 flat angles P-C4'-P energy: -107.835 tors. eta vs tors. theta energy: -152.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1680.125744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.125744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.125744 (E_RNA) where: Base-Base interactions energy: -1020.445 where: short stacking energy: -469.077 Base-Backbone interact. energy: -3.851 local terms energy: -655.829768 where: bonds (distance) C4'-P energy: -161.508 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -151.822 flat angles P-C4'-P energy: -101.814 tors. eta vs tors. theta energy: -75.095 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: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1370.491512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.491512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.491512 (E_RNA) where: Base-Base interactions energy: -750.061 where: short stacking energy: -388.920 Base-Backbone interact. energy: 0.426 local terms energy: -620.856496 where: bonds (distance) C4'-P energy: -147.389 bonds (distance) P-C4' energy: -150.366 flat angles C4'-P-C4' energy: -158.843 flat angles P-C4'-P energy: -97.884 tors. eta vs tors. theta energy: -66.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1107.096291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.096291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.096291 (E_RNA) where: Base-Base interactions energy: -590.702 where: short stacking energy: -292.527 Base-Backbone interact. energy: -1.451 local terms energy: -514.943913 where: bonds (distance) C4'-P energy: -154.150 bonds (distance) P-C4' energy: -151.788 flat angles C4'-P-C4' energy: -140.271 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: 2.833 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: 312 Temperature: 1.350000 Total energy: -756.524335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.524335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.524335 (E_RNA) where: Base-Base interactions energy: -313.530 where: short stacking energy: -210.017 Base-Backbone interact. energy: -1.923 local terms energy: -441.070725 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -145.813 flat angles C4'-P-C4' energy: -123.772 flat angles P-C4'-P energy: -83.797 tors. eta vs tors. theta energy: 52.888 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: 313 Temperature: 0.900000 Total energy: -3078.131581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.131581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.131581 (E_RNA) where: Base-Base interactions energy: -2100.766 where: short stacking energy: -919.099 Base-Backbone interact. energy: -1.892 local terms energy: -975.472968 where: bonds (distance) C4'-P energy: -182.054 bonds (distance) P-C4' energy: -186.283 flat angles C4'-P-C4' energy: -207.938 flat angles P-C4'-P energy: -121.309 tors. eta vs tors. theta energy: -277.890 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: 313 Temperature: 0.950000 Total energy: -2965.857286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.857286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.857286 (E_RNA) where: Base-Base interactions energy: -2026.815 where: short stacking energy: -863.778 Base-Backbone interact. energy: -1.996 local terms energy: -937.045713 where: bonds (distance) C4'-P energy: -168.192 bonds (distance) P-C4' energy: -184.547 flat angles C4'-P-C4' energy: -207.149 flat angles P-C4'-P energy: -124.235 tors. eta vs tors. theta energy: -252.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2837.424819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.424819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.424819 (E_RNA) where: Base-Base interactions energy: -1921.459 where: short stacking energy: -845.921 Base-Backbone interact. energy: -1.582 local terms energy: -914.383315 where: bonds (distance) C4'-P energy: -147.316 bonds (distance) P-C4' energy: -181.351 flat angles C4'-P-C4' energy: -204.166 flat angles P-C4'-P energy: -130.285 tors. eta vs tors. theta energy: -251.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2704.627976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.627976 (E_RNA) where: Base-Base interactions energy: -1831.738 where: short stacking energy: -817.685 Base-Backbone interact. energy: -4.732 local terms energy: -868.157708 where: bonds (distance) C4'-P energy: -169.991 bonds (distance) P-C4' energy: -167.406 flat angles C4'-P-C4' energy: -194.565 flat angles P-C4'-P energy: -91.807 tors. eta vs tors. theta energy: -244.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2458.199138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.199138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.199138 (E_RNA) where: Base-Base interactions energy: -1618.031 where: short stacking energy: -722.103 Base-Backbone interact. energy: 3.054 local terms energy: -843.221551 where: bonds (distance) C4'-P energy: -165.886 bonds (distance) P-C4' energy: -176.028 flat angles C4'-P-C4' energy: -185.452 flat angles P-C4'-P energy: -102.703 tors. eta vs tors. theta energy: -213.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2209.387211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.387211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.387211 (E_RNA) where: Base-Base interactions energy: -1442.970 where: short stacking energy: -664.968 Base-Backbone interact. energy: -4.939 local terms energy: -761.478213 where: bonds (distance) C4'-P energy: -156.797 bonds (distance) P-C4' energy: -164.699 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -109.315 tors. eta vs tors. theta energy: -174.828 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: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1581.141817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.141817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.141817 (E_RNA) where: Base-Base interactions energy: -965.815 where: short stacking energy: -447.429 Base-Backbone interact. energy: -3.488 local terms energy: -611.839480 where: bonds (distance) C4'-P energy: -159.220 bonds (distance) P-C4' energy: -165.139 flat angles C4'-P-C4' energy: -136.450 flat angles P-C4'-P energy: -79.182 tors. eta vs tors. theta energy: -71.849 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: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1294.444962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.444962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.444962 (E_RNA) where: Base-Base interactions energy: -732.851 where: short stacking energy: -395.463 Base-Backbone interact. energy: -3.788 local terms energy: -557.805310 where: bonds (distance) C4'-P energy: -137.870 bonds (distance) P-C4' energy: -165.378 flat angles C4'-P-C4' energy: -138.659 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -61.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1035.984455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.984455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.984455 (E_RNA) where: Base-Base interactions energy: -520.863 where: short stacking energy: -280.309 Base-Backbone interact. energy: -1.280 local terms energy: -513.841741 where: bonds (distance) C4'-P energy: -134.940 bonds (distance) P-C4' energy: -156.916 flat angles C4'-P-C4' energy: -146.967 flat angles P-C4'-P energy: -65.301 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -785.691190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.691190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.691190 (E_RNA) where: Base-Base interactions energy: -343.727 where: short stacking energy: -227.023 Base-Backbone interact. energy: -0.999 local terms energy: -440.966061 where: bonds (distance) C4'-P energy: -134.844 bonds (distance) P-C4' energy: -149.713 flat angles C4'-P-C4' energy: -121.822 flat angles P-C4'-P energy: -57.325 tors. eta vs tors. theta energy: 22.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3052.570347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.570347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.570347 (E_RNA) where: Base-Base interactions energy: -2078.101 where: short stacking energy: -899.716 Base-Backbone interact. energy: -0.412 local terms energy: -974.057286 where: bonds (distance) C4'-P energy: -185.652 bonds (distance) P-C4' energy: -188.029 flat angles C4'-P-C4' energy: -197.908 flat angles P-C4'-P energy: -141.603 tors. eta vs tors. theta energy: -260.866 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: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3009.201234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.201234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.201234 (E_RNA) where: Base-Base interactions energy: -2080.260 where: short stacking energy: -890.359 Base-Backbone interact. energy: 0.388 local terms energy: -929.329296 where: bonds (distance) C4'-P energy: -158.988 bonds (distance) P-C4' energy: -178.503 flat angles C4'-P-C4' energy: -193.532 flat angles P-C4'-P energy: -126.200 tors. eta vs tors. theta energy: -272.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2807.503248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.503248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.503248 (E_RNA) where: Base-Base interactions energy: -1875.504 where: short stacking energy: -825.414 Base-Backbone interact. energy: 0.592 local terms energy: -932.591762 where: bonds (distance) C4'-P energy: -167.019 bonds (distance) P-C4' energy: -178.456 flat angles C4'-P-C4' energy: -191.499 flat angles P-C4'-P energy: -146.179 tors. eta vs tors. theta energy: -249.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2656.017402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.017402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.017402 (E_RNA) where: Base-Base interactions energy: -1800.298 where: short stacking energy: -820.577 Base-Backbone interact. energy: -2.544 local terms energy: -853.175371 where: bonds (distance) C4'-P energy: -150.404 bonds (distance) P-C4' energy: -172.644 flat angles C4'-P-C4' energy: -197.009 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -231.800 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: 314 Temperature: 1.100000 Total energy: -2493.232575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.232575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.232575 (E_RNA) where: Base-Base interactions energy: -1641.400 where: short stacking energy: -746.165 Base-Backbone interact. energy: -0.407 local terms energy: -851.425721 where: bonds (distance) C4'-P energy: -166.590 bonds (distance) P-C4' energy: -173.962 flat angles C4'-P-C4' energy: -177.117 flat angles P-C4'-P energy: -112.997 tors. eta vs tors. theta energy: -220.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2210.316388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.316388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.316388 (E_RNA) where: Base-Base interactions energy: -1441.950 where: short stacking energy: -632.350 Base-Backbone interact. energy: 0.086 local terms energy: -768.452726 where: bonds (distance) C4'-P energy: -138.082 bonds (distance) P-C4' energy: -171.502 flat angles C4'-P-C4' energy: -180.690 flat angles P-C4'-P energy: -110.762 tors. eta vs tors. theta energy: -167.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1574.319403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.319403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.319403 (E_RNA) where: Base-Base interactions energy: -938.581 where: short stacking energy: -423.515 Base-Backbone interact. energy: -2.741 local terms energy: -632.997588 where: bonds (distance) C4'-P energy: -158.227 bonds (distance) P-C4' energy: -169.846 flat angles C4'-P-C4' energy: -141.124 flat angles P-C4'-P energy: -93.595 tors. eta vs tors. theta energy: -70.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1287.901575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.901575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.901575 (E_RNA) where: Base-Base interactions energy: -695.006 where: short stacking energy: -369.153 Base-Backbone interact. energy: -2.790 local terms energy: -590.105063 where: bonds (distance) C4'-P energy: -162.860 bonds (distance) P-C4' energy: -163.076 flat angles C4'-P-C4' energy: -133.445 flat angles P-C4'-P energy: -89.008 tors. eta vs tors. theta energy: -41.716 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: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1036.634083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.634083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.634083 (E_RNA) where: Base-Base interactions energy: -477.531 where: short stacking energy: -269.164 Base-Backbone interact. energy: -1.224 local terms energy: -557.878997 where: bonds (distance) C4'-P energy: -150.766 bonds (distance) P-C4' energy: -165.540 flat angles C4'-P-C4' energy: -148.833 flat angles P-C4'-P energy: -79.577 tors. eta vs tors. theta energy: -13.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -813.886981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.886981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.886981 (E_RNA) where: Base-Base interactions energy: -366.803 where: short stacking energy: -229.864 Base-Backbone interact. energy: -1.775 local terms energy: -445.308567 where: bonds (distance) C4'-P energy: -121.731 bonds (distance) P-C4' energy: -144.190 flat angles C4'-P-C4' energy: -123.909 flat angles P-C4'-P energy: -67.987 tors. eta vs tors. theta energy: 12.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3054.499126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.499126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.499126 (E_RNA) where: Base-Base interactions energy: -2099.510 where: short stacking energy: -884.137 Base-Backbone interact. energy: -4.650 local terms energy: -950.338489 where: bonds (distance) C4'-P energy: -178.162 bonds (distance) P-C4' energy: -183.062 flat angles C4'-P-C4' energy: -210.540 flat angles P-C4'-P energy: -132.649 tors. eta vs tors. theta energy: -245.927 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: 315 Temperature: 0.950000 Total energy: -3023.065033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.065033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.065033 (E_RNA) where: Base-Base interactions energy: -2036.505 where: short stacking energy: -880.528 Base-Backbone interact. energy: -7.512 local terms energy: -979.047439 where: bonds (distance) C4'-P energy: -189.041 bonds (distance) P-C4' energy: -187.334 flat angles C4'-P-C4' energy: -200.246 flat angles P-C4'-P energy: -134.915 tors. eta vs tors. theta energy: -267.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2795.843341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.843341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.843341 (E_RNA) where: Base-Base interactions energy: -1894.402 where: short stacking energy: -783.845 Base-Backbone interact. energy: -2.987 local terms energy: -898.454352 where: bonds (distance) C4'-P energy: -169.031 bonds (distance) P-C4' energy: -167.289 flat angles C4'-P-C4' energy: -189.626 flat angles P-C4'-P energy: -127.770 tors. eta vs tors. theta energy: -244.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2631.197168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.197168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.197168 (E_RNA) where: Base-Base interactions energy: -1811.288 where: short stacking energy: -790.311 Base-Backbone interact. energy: -0.614 local terms energy: -819.295806 where: bonds (distance) C4'-P energy: -161.622 bonds (distance) P-C4' energy: -154.002 flat angles C4'-P-C4' energy: -179.699 flat angles P-C4'-P energy: -104.099 tors. eta vs tors. theta energy: -219.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2460.910029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.910029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.910029 (E_RNA) where: Base-Base interactions energy: -1620.580 where: short stacking energy: -738.135 Base-Backbone interact. energy: 0.071 local terms energy: -840.400466 where: bonds (distance) C4'-P energy: -167.505 bonds (distance) P-C4' energy: -157.528 flat angles C4'-P-C4' energy: -184.118 flat angles P-C4'-P energy: -117.552 tors. eta vs tors. theta energy: -213.697 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: 315 Temperature: 1.150000 Total energy: -2140.919397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.919397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.919397 (E_RNA) where: Base-Base interactions energy: -1416.762 where: short stacking energy: -607.606 Base-Backbone interact. energy: -2.259 local terms energy: -721.898731 where: bonds (distance) C4'-P energy: -152.998 bonds (distance) P-C4' energy: -154.345 flat angles C4'-P-C4' energy: -166.659 flat angles P-C4'-P energy: -103.506 tors. eta vs tors. theta energy: -144.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1588.456326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.456326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.456326 (E_RNA) where: Base-Base interactions energy: -978.130 where: short stacking energy: -438.094 Base-Backbone interact. energy: 4.638 local terms energy: -614.964546 where: bonds (distance) C4'-P energy: -138.376 bonds (distance) P-C4' energy: -157.026 flat angles C4'-P-C4' energy: -165.631 flat angles P-C4'-P energy: -86.337 tors. eta vs tors. theta energy: -67.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1337.044935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.044935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.044935 (E_RNA) where: Base-Base interactions energy: -740.140 where: short stacking energy: -348.255 Base-Backbone interact. energy: -3.484 local terms energy: -593.420302 where: bonds (distance) C4'-P energy: -141.667 bonds (distance) P-C4' energy: -190.119 flat angles C4'-P-C4' energy: -139.708 flat angles P-C4'-P energy: -87.436 tors. eta vs tors. theta energy: -34.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1042.497272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.497272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.497272 (E_RNA) where: Base-Base interactions energy: -533.933 where: short stacking energy: -307.602 Base-Backbone interact. energy: -2.323 local terms energy: -506.240716 where: bonds (distance) C4'-P energy: -110.587 bonds (distance) P-C4' energy: -166.641 flat angles C4'-P-C4' energy: -152.870 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -821.864279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.864279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.864279 (E_RNA) where: Base-Base interactions energy: -389.301 where: short stacking energy: -227.642 Base-Backbone interact. energy: 0.797 local terms energy: -433.360655 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -130.128 flat angles C4'-P-C4' energy: -137.665 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: 28.237 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: 316 Temperature: 0.900000 Total energy: -3070.074150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.074150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.074150 (E_RNA) where: Base-Base interactions energy: -2071.430 where: short stacking energy: -875.420 Base-Backbone interact. energy: -1.550 local terms energy: -997.093855 where: bonds (distance) C4'-P energy: -190.123 bonds (distance) P-C4' energy: -187.473 flat angles C4'-P-C4' energy: -209.074 flat angles P-C4'-P energy: -149.168 tors. eta vs tors. theta energy: -261.256 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: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3046.474801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.474801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.474801 (E_RNA) where: Base-Base interactions energy: -2072.371 where: short stacking energy: -920.088 Base-Backbone interact. energy: -3.274 local terms energy: -970.830343 where: bonds (distance) C4'-P energy: -183.645 bonds (distance) P-C4' energy: -183.224 flat angles C4'-P-C4' energy: -206.695 flat angles P-C4'-P energy: -127.144 tors. eta vs tors. theta energy: -270.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2828.145118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.145118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.145118 (E_RNA) where: Base-Base interactions energy: -1908.700 where: short stacking energy: -805.074 Base-Backbone interact. energy: -5.465 local terms energy: -913.980445 where: bonds (distance) C4'-P energy: -152.129 bonds (distance) P-C4' energy: -186.329 flat angles C4'-P-C4' energy: -197.634 flat angles P-C4'-P energy: -124.713 tors. eta vs tors. theta energy: -253.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2642.907544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.907544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.907544 (E_RNA) where: Base-Base interactions energy: -1766.436 where: short stacking energy: -775.541 Base-Backbone interact. energy: -6.245 local terms energy: -870.227303 where: bonds (distance) C4'-P energy: -176.758 bonds (distance) P-C4' energy: -172.137 flat angles C4'-P-C4' energy: -184.151 flat angles P-C4'-P energy: -112.861 tors. eta vs tors. theta energy: -224.322 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: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2446.105947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.105947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.105947 (E_RNA) where: Base-Base interactions energy: -1595.891 where: short stacking energy: -713.696 Base-Backbone interact. energy: -0.736 local terms energy: -849.479097 where: bonds (distance) C4'-P energy: -160.909 bonds (distance) P-C4' energy: -160.003 flat angles C4'-P-C4' energy: -200.303 flat angles P-C4'-P energy: -120.720 tors. eta vs tors. theta energy: -207.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2223.855801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.855801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.855801 (E_RNA) where: Base-Base interactions energy: -1444.105 where: short stacking energy: -651.823 Base-Backbone interact. energy: 0.040 local terms energy: -779.790195 where: bonds (distance) C4'-P energy: -150.110 bonds (distance) P-C4' energy: -166.919 flat angles C4'-P-C4' energy: -166.175 flat angles P-C4'-P energy: -110.491 tors. eta vs tors. theta energy: -186.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1637.995155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.995155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.995155 (E_RNA) where: Base-Base interactions energy: -980.349 where: short stacking energy: -420.306 Base-Backbone interact. energy: 2.437 local terms energy: -660.083588 where: bonds (distance) C4'-P energy: -155.731 bonds (distance) P-C4' energy: -154.909 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -124.197 tors. eta vs tors. theta energy: -71.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1267.883432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.883432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.883432 (E_RNA) where: Base-Base interactions energy: -718.445 where: short stacking energy: -365.694 Base-Backbone interact. energy: -1.087 local terms energy: -548.351279 where: bonds (distance) C4'-P energy: -144.885 bonds (distance) P-C4' energy: -125.891 flat angles C4'-P-C4' energy: -153.140 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -30.042 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: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -990.427581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.427581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.427581 (E_RNA) where: Base-Base interactions energy: -466.782 where: short stacking energy: -275.495 Base-Backbone interact. energy: 2.089 local terms energy: -525.734561 where: bonds (distance) C4'-P energy: -154.751 bonds (distance) P-C4' energy: -135.873 flat angles C4'-P-C4' energy: -134.977 flat angles P-C4'-P energy: -87.796 tors. eta vs tors. theta energy: -12.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -816.210478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.210478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.210478 (E_RNA) where: Base-Base interactions energy: -346.765 where: short stacking energy: -232.002 Base-Backbone interact. energy: 4.655 local terms energy: -474.100760 where: bonds (distance) C4'-P energy: -168.134 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -108.629 flat angles P-C4'-P energy: -59.819 tors. eta vs tors. theta energy: 13.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3074.076709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.076709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.076709 (E_RNA) where: Base-Base interactions energy: -2105.037 where: short stacking energy: -928.126 Base-Backbone interact. energy: -4.580 local terms energy: -964.459560 where: bonds (distance) C4'-P energy: -170.652 bonds (distance) P-C4' energy: -190.971 flat angles C4'-P-C4' energy: -214.394 flat angles P-C4'-P energy: -125.898 tors. eta vs tors. theta energy: -262.545 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: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3035.597047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.597047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.597047 (E_RNA) where: Base-Base interactions energy: -2071.451 where: short stacking energy: -918.578 Base-Backbone interact. energy: 2.324 local terms energy: -966.470551 where: bonds (distance) C4'-P energy: -173.213 bonds (distance) P-C4' energy: -181.075 flat angles C4'-P-C4' energy: -198.723 flat angles P-C4'-P energy: -126.608 tors. eta vs tors. theta energy: -286.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2840.078361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.078361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.078361 (E_RNA) where: Base-Base interactions energy: -1929.645 where: short stacking energy: -831.595 Base-Backbone interact. energy: -4.914 local terms energy: -905.519208 where: bonds (distance) C4'-P energy: -159.420 bonds (distance) P-C4' energy: -179.369 flat angles C4'-P-C4' energy: -194.895 flat angles P-C4'-P energy: -129.469 tors. eta vs tors. theta energy: -242.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2633.100161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.100161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.100161 (E_RNA) where: Base-Base interactions energy: -1772.175 where: short stacking energy: -754.690 Base-Backbone interact. energy: 0.531 local terms energy: -861.456081 where: bonds (distance) C4'-P energy: -154.304 bonds (distance) P-C4' energy: -175.553 flat angles C4'-P-C4' energy: -189.464 flat angles P-C4'-P energy: -128.729 tors. eta vs tors. theta energy: -213.407 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: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2455.116601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.116601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.116601 (E_RNA) where: Base-Base interactions energy: -1601.528 where: short stacking energy: -753.929 Base-Backbone interact. energy: -1.209 local terms energy: -852.379429 where: bonds (distance) C4'-P energy: -157.242 bonds (distance) P-C4' energy: -146.796 flat angles C4'-P-C4' energy: -204.641 flat angles P-C4'-P energy: -105.010 tors. eta vs tors. theta energy: -238.690 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: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2298.444747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.444747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.444747 (E_RNA) where: Base-Base interactions energy: -1489.402 where: short stacking energy: -656.173 Base-Backbone interact. energy: -1.922 local terms energy: -807.121657 where: bonds (distance) C4'-P energy: -157.893 bonds (distance) P-C4' energy: -182.462 flat angles C4'-P-C4' energy: -174.525 flat angles P-C4'-P energy: -114.107 tors. eta vs tors. theta energy: -178.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1670.553296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.553296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.553296 (E_RNA) where: Base-Base interactions energy: -1024.276 where: short stacking energy: -488.624 Base-Backbone interact. energy: -1.434 local terms energy: -644.843078 where: bonds (distance) C4'-P energy: -169.424 bonds (distance) P-C4' energy: -149.644 flat angles C4'-P-C4' energy: -153.205 flat angles P-C4'-P energy: -86.558 tors. eta vs tors. theta energy: -86.011 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1294.294417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.294417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.294417 (E_RNA) where: Base-Base interactions energy: -707.556 where: short stacking energy: -369.345 Base-Backbone interact. energy: 2.911 local terms energy: -589.649636 where: bonds (distance) C4'-P energy: -123.125 bonds (distance) P-C4' energy: -158.697 flat angles C4'-P-C4' energy: -157.396 flat angles P-C4'-P energy: -102.625 tors. eta vs tors. theta energy: -47.806 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: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -951.325736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.325736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.325736 (E_RNA) where: Base-Base interactions energy: -458.985 where: short stacking energy: -255.529 Base-Backbone interact. energy: 2.914 local terms energy: -495.254241 where: bonds (distance) C4'-P energy: -139.469 bonds (distance) P-C4' energy: -157.593 flat angles C4'-P-C4' energy: -127.263 flat angles P-C4'-P energy: -74.591 tors. eta vs tors. theta energy: 3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -837.471130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.471130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.471130 (E_RNA) where: Base-Base interactions energy: -362.195 where: short stacking energy: -254.508 Base-Backbone interact. energy: 3.447 local terms energy: -478.723250 where: bonds (distance) C4'-P energy: -147.126 bonds (distance) P-C4' energy: -147.526 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -59.119 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3076.548788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.548788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.548788 (E_RNA) where: Base-Base interactions energy: -2104.950 where: short stacking energy: -892.136 Base-Backbone interact. energy: -3.752 local terms energy: -967.847502 where: bonds (distance) C4'-P energy: -180.149 bonds (distance) P-C4' energy: -188.300 flat angles C4'-P-C4' energy: -203.244 flat angles P-C4'-P energy: -138.941 tors. eta vs tors. theta energy: -257.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3010.794949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.794949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.794949 (E_RNA) where: Base-Base interactions energy: -2063.093 where: short stacking energy: -912.915 Base-Backbone interact. energy: -1.709 local terms energy: -945.992281 where: bonds (distance) C4'-P energy: -171.858 bonds (distance) P-C4' energy: -174.317 flat angles C4'-P-C4' energy: -200.492 flat angles P-C4'-P energy: -130.622 tors. eta vs tors. theta energy: -268.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2858.271778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.271778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.271778 (E_RNA) where: Base-Base interactions energy: -1949.339 where: short stacking energy: -822.969 Base-Backbone interact. energy: -2.521 local terms energy: -906.412240 where: bonds (distance) C4'-P energy: -176.531 bonds (distance) P-C4' energy: -168.115 flat angles C4'-P-C4' energy: -186.548 flat angles P-C4'-P energy: -125.411 tors. eta vs tors. theta energy: -249.807 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: 318 Temperature: 1.050000 Total energy: -2620.355860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.355860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.355860 (E_RNA) where: Base-Base interactions energy: -1730.088 where: short stacking energy: -787.100 Base-Backbone interact. energy: 4.600 local terms energy: -894.867525 where: bonds (distance) C4'-P energy: -171.040 bonds (distance) P-C4' energy: -178.825 flat angles C4'-P-C4' energy: -203.361 flat angles P-C4'-P energy: -121.662 tors. eta vs tors. theta energy: -219.980 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: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2472.471021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.471021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.471021 (E_RNA) where: Base-Base interactions energy: -1647.741 where: short stacking energy: -750.759 Base-Backbone interact. energy: -0.349 local terms energy: -824.381037 where: bonds (distance) C4'-P energy: -146.404 bonds (distance) P-C4' energy: -157.664 flat angles C4'-P-C4' energy: -194.420 flat angles P-C4'-P energy: -111.160 tors. eta vs tors. theta energy: -214.733 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: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2270.200605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.200605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.200605 (E_RNA) where: Base-Base interactions energy: -1499.461 where: short stacking energy: -662.103 Base-Backbone interact. energy: -1.370 local terms energy: -769.369674 where: bonds (distance) C4'-P energy: -160.108 bonds (distance) P-C4' energy: -155.574 flat angles C4'-P-C4' energy: -164.802 flat angles P-C4'-P energy: -98.373 tors. eta vs tors. theta energy: -190.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1584.494739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.494739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.494739 (E_RNA) where: Base-Base interactions energy: -942.462 where: short stacking energy: -439.809 Base-Backbone interact. energy: 4.104 local terms energy: -646.136746 where: bonds (distance) C4'-P energy: -164.724 bonds (distance) P-C4' energy: -166.994 flat angles C4'-P-C4' energy: -140.622 flat angles P-C4'-P energy: -92.139 tors. eta vs tors. theta energy: -81.657 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: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1326.097468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.097468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.097468 (E_RNA) where: Base-Base interactions energy: -720.706 where: short stacking energy: -337.767 Base-Backbone interact. energy: 0.767 local terms energy: -606.158403 where: bonds (distance) C4'-P energy: -155.133 bonds (distance) P-C4' energy: -178.149 flat angles C4'-P-C4' energy: -146.101 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -29.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -879.369943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.369943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.369943 (E_RNA) where: Base-Base interactions energy: -365.614 where: short stacking energy: -250.701 Base-Backbone interact. energy: 7.363 local terms energy: -521.118923 where: bonds (distance) C4'-P energy: -138.041 bonds (distance) P-C4' energy: -148.355 flat angles C4'-P-C4' energy: -134.072 flat angles P-C4'-P energy: -84.263 tors. eta vs tors. theta energy: -16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -891.900346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.900346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.900346 (E_RNA) where: Base-Base interactions energy: -439.562 where: short stacking energy: -263.190 Base-Backbone interact. energy: 2.062 local terms energy: -454.400347 where: bonds (distance) C4'-P energy: -133.043 bonds (distance) P-C4' energy: -142.499 flat angles C4'-P-C4' energy: -129.115 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: 5.556 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: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3032.037268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.037268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.037268 (E_RNA) where: Base-Base interactions energy: -2078.687 where: short stacking energy: -910.065 Base-Backbone interact. energy: -2.245 local terms energy: -951.105537 where: bonds (distance) C4'-P energy: -176.544 bonds (distance) P-C4' energy: -181.892 flat angles C4'-P-C4' energy: -196.548 flat angles P-C4'-P energy: -136.422 tors. eta vs tors. theta energy: -259.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2983.097298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.097298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.097298 (E_RNA) where: Base-Base interactions energy: -2046.251 where: short stacking energy: -876.685 Base-Backbone interact. energy: -2.996 local terms energy: -933.850343 where: bonds (distance) C4'-P energy: -165.417 bonds (distance) P-C4' energy: -172.786 flat angles C4'-P-C4' energy: -211.682 flat angles P-C4'-P energy: -129.812 tors. eta vs tors. theta energy: -254.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2911.376625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.376625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.376625 (E_RNA) where: Base-Base interactions energy: -1977.797 where: short stacking energy: -852.887 Base-Backbone interact. energy: -1.418 local terms energy: -932.162033 where: bonds (distance) C4'-P energy: -172.161 bonds (distance) P-C4' energy: -189.639 flat angles C4'-P-C4' energy: -191.342 flat angles P-C4'-P energy: -116.734 tors. eta vs tors. theta energy: -262.286 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: 319 Temperature: 1.050000 Total energy: -2688.450949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.450949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.450949 (E_RNA) where: Base-Base interactions energy: -1772.486 where: short stacking energy: -780.671 Base-Backbone interact. energy: -5.555 local terms energy: -910.410198 where: bonds (distance) C4'-P energy: -171.930 bonds (distance) P-C4' energy: -173.431 flat angles C4'-P-C4' energy: -199.852 flat angles P-C4'-P energy: -120.784 tors. eta vs tors. theta energy: -244.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2460.548778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.548778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.548778 (E_RNA) where: Base-Base interactions energy: -1600.935 where: short stacking energy: -722.727 Base-Backbone interact. energy: -1.287 local terms energy: -858.326773 where: bonds (distance) C4'-P energy: -154.461 bonds (distance) P-C4' energy: -171.811 flat angles C4'-P-C4' energy: -201.659 flat angles P-C4'-P energy: -122.226 tors. eta vs tors. theta energy: -208.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2298.194018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.194018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.194018 (E_RNA) where: Base-Base interactions energy: -1531.058 where: short stacking energy: -696.887 Base-Backbone interact. energy: 0.621 local terms energy: -767.756950 where: bonds (distance) C4'-P energy: -158.245 bonds (distance) P-C4' energy: -152.802 flat angles C4'-P-C4' energy: -182.343 flat angles P-C4'-P energy: -88.516 tors. eta vs tors. theta energy: -185.851 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: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1585.363783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.363783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.363783 (E_RNA) where: Base-Base interactions energy: -965.742 where: short stacking energy: -442.494 Base-Backbone interact. energy: -0.590 local terms energy: -619.032629 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -145.123 flat angles C4'-P-C4' energy: -143.414 flat angles P-C4'-P energy: -106.505 tors. eta vs tors. theta energy: -81.446 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: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1335.055176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.055176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.055176 (E_RNA) where: Base-Base interactions energy: -755.750 where: short stacking energy: -367.395 Base-Backbone interact. energy: 0.720 local terms energy: -580.025100 where: bonds (distance) C4'-P energy: -153.931 bonds (distance) P-C4' energy: -154.761 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -35.522 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: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -874.444973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.444973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.444973 (E_RNA) where: Base-Base interactions energy: -369.690 where: short stacking energy: -259.642 Base-Backbone interact. energy: 2.352 local terms energy: -507.106918 where: bonds (distance) C4'-P energy: -153.749 bonds (distance) P-C4' energy: -137.153 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: 11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -830.980675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.980675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.980675 (E_RNA) where: Base-Base interactions energy: -364.793 where: short stacking energy: -210.889 Base-Backbone interact. energy: 2.542 local terms energy: -468.730293 where: bonds (distance) C4'-P energy: -132.146 bonds (distance) P-C4' energy: -149.890 flat angles C4'-P-C4' energy: -117.696 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: 10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3054.977016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.977016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.977016 (E_RNA) where: Base-Base interactions energy: -2067.242 where: short stacking energy: -885.458 Base-Backbone interact. energy: -0.169 local terms energy: -987.565871 where: bonds (distance) C4'-P energy: -190.002 bonds (distance) P-C4' energy: -183.679 flat angles C4'-P-C4' energy: -208.693 flat angles P-C4'-P energy: -141.448 tors. eta vs tors. theta energy: -263.744 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: 2, replica: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2978.360385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.360385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.360385 (E_RNA) where: Base-Base interactions energy: -2029.113 where: short stacking energy: -889.766 Base-Backbone interact. energy: -4.600 local terms energy: -944.648219 where: bonds (distance) C4'-P energy: -166.509 bonds (distance) P-C4' energy: -180.356 flat angles C4'-P-C4' energy: -193.798 flat angles P-C4'-P energy: -143.345 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: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2897.458076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.458076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.458076 (E_RNA) where: Base-Base interactions energy: -1989.583 where: short stacking energy: -853.425 Base-Backbone interact. energy: 2.493 local terms energy: -910.368594 where: bonds (distance) C4'-P energy: -178.719 bonds (distance) P-C4' energy: -151.775 flat angles C4'-P-C4' energy: -186.213 flat angles P-C4'-P energy: -135.328 tors. eta vs tors. theta energy: -258.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2672.372945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.372945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.372945 (E_RNA) where: Base-Base interactions energy: -1788.100 where: short stacking energy: -751.339 Base-Backbone interact. energy: -1.218 local terms energy: -883.055542 where: bonds (distance) C4'-P energy: -176.724 bonds (distance) P-C4' energy: -167.777 flat angles C4'-P-C4' energy: -195.453 flat angles P-C4'-P energy: -106.791 tors. eta vs tors. theta energy: -236.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2441.354243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.354243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.354243 (E_RNA) where: Base-Base interactions energy: -1584.585 where: short stacking energy: -718.789 Base-Backbone interact. energy: -5.531 local terms energy: -851.238841 where: bonds (distance) C4'-P energy: -151.959 bonds (distance) P-C4' energy: -170.595 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -115.731 tors. eta vs tors. theta energy: -232.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2268.862560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.862560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.862560 (E_RNA) where: Base-Base interactions energy: -1501.725 where: short stacking energy: -672.531 Base-Backbone interact. energy: -4.708 local terms energy: -762.429456 where: bonds (distance) C4'-P energy: -148.222 bonds (distance) P-C4' energy: -141.973 flat angles C4'-P-C4' energy: -183.320 flat angles P-C4'-P energy: -102.880 tors. eta vs tors. theta energy: -186.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1609.047135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.047135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.047135 (E_RNA) where: Base-Base interactions energy: -962.226 where: short stacking energy: -481.311 Base-Backbone interact. energy: -4.277 local terms energy: -642.543683 where: bonds (distance) C4'-P energy: -150.088 bonds (distance) P-C4' energy: -150.575 flat angles C4'-P-C4' energy: -158.471 flat angles P-C4'-P energy: -97.703 tors. eta vs tors. theta energy: -85.706 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: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1267.142870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.142870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.142870 (E_RNA) where: Base-Base interactions energy: -704.282 where: short stacking energy: -330.861 Base-Backbone interact. energy: -0.346 local terms energy: -562.514295 where: bonds (distance) C4'-P energy: -144.707 bonds (distance) P-C4' energy: -171.226 flat angles C4'-P-C4' energy: -145.039 flat angles P-C4'-P energy: -76.386 tors. eta vs tors. theta energy: -25.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -936.775299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.775299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.775299 (E_RNA) where: Base-Base interactions energy: -445.132 where: short stacking energy: -240.103 Base-Backbone interact. energy: 0.722 local terms energy: -492.365321 where: bonds (distance) C4'-P energy: -144.750 bonds (distance) P-C4' energy: -148.780 flat angles C4'-P-C4' energy: -123.948 flat angles P-C4'-P energy: -78.521 tors. eta vs tors. theta energy: 3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -804.412109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.412109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.412109 (E_RNA) where: Base-Base interactions energy: -349.269 where: short stacking energy: -213.358 Base-Backbone interact. energy: -4.309 local terms energy: -450.834313 where: bonds (distance) C4'-P energy: -121.443 bonds (distance) P-C4' energy: -146.140 flat angles C4'-P-C4' energy: -118.582 flat angles P-C4'-P energy: -78.866 tors. eta vs tors. theta energy: 14.197 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: 321 Temperature: 0.900000 Total energy: -3062.807906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.807906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.807906 (E_RNA) where: Base-Base interactions energy: -2105.749 where: short stacking energy: -889.793 Base-Backbone interact. energy: -2.589 local terms energy: -954.469953 where: bonds (distance) C4'-P energy: -182.927 bonds (distance) P-C4' energy: -183.270 flat angles C4'-P-C4' energy: -194.515 flat angles P-C4'-P energy: -133.842 tors. eta vs tors. theta energy: -259.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2988.068395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.068395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.068395 (E_RNA) where: Base-Base interactions energy: -2038.296 where: short stacking energy: -905.511 Base-Backbone interact. energy: -3.877 local terms energy: -945.896006 where: bonds (distance) C4'-P energy: -176.242 bonds (distance) P-C4' energy: -175.637 flat angles C4'-P-C4' energy: -201.367 flat angles P-C4'-P energy: -128.664 tors. eta vs tors. theta energy: -263.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2868.516372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.516372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.516372 (E_RNA) where: Base-Base interactions energy: -1958.253 where: short stacking energy: -860.895 Base-Backbone interact. energy: -2.907 local terms energy: -907.356589 where: bonds (distance) C4'-P energy: -160.875 bonds (distance) P-C4' energy: -164.148 flat angles C4'-P-C4' energy: -197.418 flat angles P-C4'-P energy: -124.638 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: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2711.373394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.373394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.373394 (E_RNA) where: Base-Base interactions energy: -1821.776 where: short stacking energy: -803.728 Base-Backbone interact. energy: -3.995 local terms energy: -885.601783 where: bonds (distance) C4'-P energy: -172.515 bonds (distance) P-C4' energy: -154.881 flat angles C4'-P-C4' energy: -198.608 flat angles P-C4'-P energy: -124.930 tors. eta vs tors. theta energy: -234.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2440.979828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.979828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.979828 (E_RNA) where: Base-Base interactions energy: -1596.597 where: short stacking energy: -737.832 Base-Backbone interact. energy: -2.066 local terms energy: -842.316961 where: bonds (distance) C4'-P energy: -150.705 bonds (distance) P-C4' energy: -174.936 flat angles C4'-P-C4' energy: -197.015 flat angles P-C4'-P energy: -110.492 tors. eta vs tors. theta energy: -209.168 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: 321 Temperature: 1.150000 Total energy: -2309.970402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.970402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.970402 (E_RNA) where: Base-Base interactions energy: -1518.241 where: short stacking energy: -668.781 Base-Backbone interact. energy: 5.173 local terms energy: -796.902670 where: bonds (distance) C4'-P energy: -157.945 bonds (distance) P-C4' energy: -143.233 flat angles C4'-P-C4' energy: -182.438 flat angles P-C4'-P energy: -116.135 tors. eta vs tors. theta energy: -197.152 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1606.077347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.077347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.077347 (E_RNA) where: Base-Base interactions energy: -945.146 where: short stacking energy: -472.364 Base-Backbone interact. energy: 6.527 local terms energy: -667.457814 where: bonds (distance) C4'-P energy: -148.530 bonds (distance) P-C4' energy: -179.109 flat angles C4'-P-C4' energy: -154.773 flat angles P-C4'-P energy: -91.804 tors. eta vs tors. theta energy: -93.242 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: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1307.061416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.061416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.061416 (E_RNA) where: Base-Base interactions energy: -736.402 where: short stacking energy: -371.197 Base-Backbone interact. energy: 1.716 local terms energy: -572.375828 where: bonds (distance) C4'-P energy: -143.155 bonds (distance) P-C4' energy: -154.305 flat angles C4'-P-C4' energy: -145.493 flat angles P-C4'-P energy: -99.095 tors. eta vs tors. theta energy: -30.328 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: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -979.619633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.619633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.619633 (E_RNA) where: Base-Base interactions energy: -484.024 where: short stacking energy: -261.652 Base-Backbone interact. energy: -2.024 local terms energy: -493.570906 where: bonds (distance) C4'-P energy: -139.744 bonds (distance) P-C4' energy: -169.206 flat angles C4'-P-C4' energy: -126.332 flat angles P-C4'-P energy: -55.435 tors. eta vs tors. theta energy: -2.854 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: 321 Temperature: 1.350000 Total energy: -805.851156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.851156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.851156 (E_RNA) where: Base-Base interactions energy: -348.443 where: short stacking energy: -251.644 Base-Backbone interact. energy: 3.663 local terms energy: -461.070360 where: bonds (distance) C4'-P energy: -130.584 bonds (distance) P-C4' energy: -166.600 flat angles C4'-P-C4' energy: -102.920 flat angles P-C4'-P energy: -79.324 tors. eta vs tors. theta energy: 18.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3038.023460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.023460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.023460 (E_RNA) where: Base-Base interactions energy: -2076.903 where: short stacking energy: -883.300 Base-Backbone interact. energy: -6.512 local terms energy: -954.608538 where: bonds (distance) C4'-P energy: -171.721 bonds (distance) P-C4' energy: -183.880 flat angles C4'-P-C4' energy: -210.340 flat angles P-C4'-P energy: -137.693 tors. eta vs tors. theta energy: -250.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3033.532564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.532564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.532564 (E_RNA) where: Base-Base interactions energy: -2064.587 where: short stacking energy: -905.521 Base-Backbone interact. energy: -3.959 local terms energy: -964.986854 where: bonds (distance) C4'-P energy: -160.381 bonds (distance) P-C4' energy: -187.183 flat angles C4'-P-C4' energy: -202.964 flat angles P-C4'-P energy: -140.955 tors. eta vs tors. theta energy: -273.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2857.979976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.979976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.979976 (E_RNA) where: Base-Base interactions energy: -1954.582 where: short stacking energy: -839.362 Base-Backbone interact. energy: -5.072 local terms energy: -898.326609 where: bonds (distance) C4'-P energy: -162.676 bonds (distance) P-C4' energy: -168.125 flat angles C4'-P-C4' energy: -205.430 flat angles P-C4'-P energy: -114.106 tors. eta vs tors. theta energy: -247.990 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: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2719.280742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.280742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.280742 (E_RNA) where: Base-Base interactions energy: -1807.213 where: short stacking energy: -817.238 Base-Backbone interact. energy: -1.787 local terms energy: -910.280892 where: bonds (distance) C4'-P energy: -159.127 bonds (distance) P-C4' energy: -176.838 flat angles C4'-P-C4' energy: -195.020 flat angles P-C4'-P energy: -134.949 tors. eta vs tors. theta energy: -244.346 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: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2426.403273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.403273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.403273 (E_RNA) where: Base-Base interactions energy: -1623.240 where: short stacking energy: -773.731 Base-Backbone interact. energy: -0.990 local terms energy: -802.173231 where: bonds (distance) C4'-P energy: -162.514 bonds (distance) P-C4' energy: -162.432 flat angles C4'-P-C4' energy: -165.069 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -216.413 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: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2255.096859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.096859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.096859 (E_RNA) where: Base-Base interactions energy: -1488.138 where: short stacking energy: -672.550 Base-Backbone interact. energy: -4.619 local terms energy: -762.340106 where: bonds (distance) C4'-P energy: -159.762 bonds (distance) P-C4' energy: -156.768 flat angles C4'-P-C4' energy: -187.207 flat angles P-C4'-P energy: -84.833 tors. eta vs tors. theta energy: -173.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1592.857540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.857540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.857540 (E_RNA) where: Base-Base interactions energy: -989.506 where: short stacking energy: -450.305 Base-Backbone interact. energy: 3.991 local terms energy: -607.342338 where: bonds (distance) C4'-P energy: -147.603 bonds (distance) P-C4' energy: -150.824 flat angles C4'-P-C4' energy: -157.881 flat angles P-C4'-P energy: -89.555 tors. eta vs tors. theta energy: -61.479 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: 8, replica: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1352.030741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.030741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.030741 (E_RNA) where: Base-Base interactions energy: -813.552 where: short stacking energy: -407.502 Base-Backbone interact. energy: 0.462 local terms energy: -538.940446 where: bonds (distance) C4'-P energy: -132.112 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -142.742 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -41.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -954.765455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.765455 (E_RNA) where: Base-Base interactions energy: -445.912 where: short stacking energy: -269.100 Base-Backbone interact. energy: -3.791 local terms energy: -505.062418 where: bonds (distance) C4'-P energy: -138.166 bonds (distance) P-C4' energy: -157.053 flat angles C4'-P-C4' energy: -129.212 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -805.600563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.600563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.600563 (E_RNA) where: Base-Base interactions energy: -372.722 where: short stacking energy: -217.901 Base-Backbone interact. energy: -1.157 local terms energy: -431.722257 where: bonds (distance) C4'-P energy: -121.272 bonds (distance) P-C4' energy: -138.974 flat angles C4'-P-C4' energy: -110.753 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: 28.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3083.324414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.324414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.324414 (E_RNA) where: Base-Base interactions energy: -2099.115 where: short stacking energy: -897.908 Base-Backbone interact. energy: -0.419 local terms energy: -983.790738 where: bonds (distance) C4'-P energy: -176.903 bonds (distance) P-C4' energy: -188.463 flat angles C4'-P-C4' energy: -213.455 flat angles P-C4'-P energy: -145.522 tors. eta vs tors. theta energy: -259.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2997.701312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.701312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.701312 (E_RNA) where: Base-Base interactions energy: -2041.714 where: short stacking energy: -882.938 Base-Backbone interact. energy: 3.190 local terms energy: -959.177399 where: bonds (distance) C4'-P energy: -173.424 bonds (distance) P-C4' energy: -193.936 flat angles C4'-P-C4' energy: -206.135 flat angles P-C4'-P energy: -125.467 tors. eta vs tors. theta energy: -260.215 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: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2855.777669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.777669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.777669 (E_RNA) where: Base-Base interactions energy: -1943.481 where: short stacking energy: -850.733 Base-Backbone interact. energy: -0.143 local terms energy: -912.154058 where: bonds (distance) C4'-P energy: -159.213 bonds (distance) P-C4' energy: -179.454 flat angles C4'-P-C4' energy: -193.395 flat angles P-C4'-P energy: -124.504 tors. eta vs tors. theta energy: -255.588 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: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2721.730501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.730501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.730501 (E_RNA) where: Base-Base interactions energy: -1837.526 where: short stacking energy: -801.983 Base-Backbone interact. energy: 0.354 local terms energy: -884.558563 where: bonds (distance) C4'-P energy: -167.659 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -192.856 flat angles P-C4'-P energy: -122.870 tors. eta vs tors. theta energy: -245.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2475.800180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.800180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.800180 (E_RNA) where: Base-Base interactions energy: -1652.997 where: short stacking energy: -763.126 Base-Backbone interact. energy: 0.471 local terms energy: -823.274246 where: bonds (distance) C4'-P energy: -155.403 bonds (distance) P-C4' energy: -164.676 flat angles C4'-P-C4' energy: -171.160 flat angles P-C4'-P energy: -117.459 tors. eta vs tors. theta energy: -214.576 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: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2286.702709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.702709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.702709 (E_RNA) where: Base-Base interactions energy: -1505.671 where: short stacking energy: -669.086 Base-Backbone interact. energy: -2.616 local terms energy: -778.415667 where: bonds (distance) C4'-P energy: -133.462 bonds (distance) P-C4' energy: -136.011 flat angles C4'-P-C4' energy: -194.215 flat angles P-C4'-P energy: -122.618 tors. eta vs tors. theta energy: -192.108 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: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1613.429078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.429078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.429078 (E_RNA) where: Base-Base interactions energy: -976.786 where: short stacking energy: -499.964 Base-Backbone interact. energy: -2.665 local terms energy: -633.978289 where: bonds (distance) C4'-P energy: -138.567 bonds (distance) P-C4' energy: -150.815 flat angles C4'-P-C4' energy: -158.580 flat angles P-C4'-P energy: -84.027 tors. eta vs tors. theta energy: -101.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1428.314600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.314600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.314600 (E_RNA) where: Base-Base interactions energy: -803.037 where: short stacking energy: -387.312 Base-Backbone interact. energy: -2.094 local terms energy: -623.182950 where: bonds (distance) C4'-P energy: -143.029 bonds (distance) P-C4' energy: -170.997 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -103.455 tors. eta vs tors. theta energy: -58.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -925.732206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.732206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.732206 (E_RNA) where: Base-Base interactions energy: -440.515 where: short stacking energy: -238.486 Base-Backbone interact. energy: 1.622 local terms energy: -486.838327 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -160.184 flat angles C4'-P-C4' energy: -138.530 flat angles P-C4'-P energy: -72.729 tors. eta vs tors. theta energy: 27.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -795.214173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.214173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.214173 (E_RNA) where: Base-Base interactions energy: -350.408 where: short stacking energy: -203.378 Base-Backbone interact. energy: -0.630 local terms energy: -444.176042 where: bonds (distance) C4'-P energy: -144.197 bonds (distance) P-C4' energy: -144.779 flat angles C4'-P-C4' energy: -118.664 flat angles P-C4'-P energy: -54.631 tors. eta vs tors. theta energy: 18.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3078.176748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.176748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.176748 (E_RNA) where: Base-Base interactions energy: -2111.815 where: short stacking energy: -926.832 Base-Backbone interact. energy: -3.542 local terms energy: -962.819769 where: bonds (distance) C4'-P energy: -170.258 bonds (distance) P-C4' energy: -174.900 flat angles C4'-P-C4' energy: -212.412 flat angles P-C4'-P energy: -130.749 tors. eta vs tors. theta energy: -274.501 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: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -3023.934359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.934359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.934359 (E_RNA) where: Base-Base interactions energy: -2072.414 where: short stacking energy: -920.135 Base-Backbone interact. energy: -0.755 local terms energy: -950.765182 where: bonds (distance) C4'-P energy: -179.415 bonds (distance) P-C4' energy: -171.419 flat angles C4'-P-C4' energy: -205.805 flat angles P-C4'-P energy: -131.543 tors. eta vs tors. theta energy: -262.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2828.835859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.835859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.835859 (E_RNA) where: Base-Base interactions energy: -1908.835 where: short stacking energy: -815.296 Base-Backbone interact. energy: -6.480 local terms energy: -913.520592 where: bonds (distance) C4'-P energy: -177.391 bonds (distance) P-C4' energy: -162.507 flat angles C4'-P-C4' energy: -205.796 flat angles P-C4'-P energy: -131.048 tors. eta vs tors. theta energy: -236.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2688.690257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.690257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.690257 (E_RNA) where: Base-Base interactions energy: -1810.484 where: short stacking energy: -807.504 Base-Backbone interact. energy: 2.379 local terms energy: -880.584977 where: bonds (distance) C4'-P energy: -162.895 bonds (distance) P-C4' energy: -165.531 flat angles C4'-P-C4' energy: -192.444 flat angles P-C4'-P energy: -126.558 tors. eta vs tors. theta energy: -233.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2435.546143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.546143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.546143 (E_RNA) where: Base-Base interactions energy: -1617.054 where: short stacking energy: -723.469 Base-Backbone interact. energy: -3.491 local terms energy: -815.001171 where: bonds (distance) C4'-P energy: -143.962 bonds (distance) P-C4' energy: -141.090 flat angles C4'-P-C4' energy: -186.233 flat angles P-C4'-P energy: -135.118 tors. eta vs tors. theta energy: -208.598 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: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2316.881633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.881633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.881633 (E_RNA) where: Base-Base interactions energy: -1514.449 where: short stacking energy: -690.542 Base-Backbone interact. energy: -3.730 local terms energy: -798.702511 where: bonds (distance) C4'-P energy: -151.748 bonds (distance) P-C4' energy: -154.882 flat angles C4'-P-C4' energy: -191.250 flat angles P-C4'-P energy: -113.112 tors. eta vs tors. theta energy: -187.710 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: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1546.607580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.607580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.607580 (E_RNA) where: Base-Base interactions energy: -907.400 where: short stacking energy: -448.102 Base-Backbone interact. energy: 3.801 local terms energy: -643.008296 where: bonds (distance) C4'-P energy: -165.196 bonds (distance) P-C4' energy: -177.686 flat angles C4'-P-C4' energy: -154.444 flat angles P-C4'-P energy: -74.684 tors. eta vs tors. theta energy: -70.999 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: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1376.628585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.628585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.628585 (E_RNA) where: Base-Base interactions energy: -814.373 where: short stacking energy: -411.131 Base-Backbone interact. energy: -2.117 local terms energy: -560.138846 where: bonds (distance) C4'-P energy: -116.052 bonds (distance) P-C4' energy: -165.427 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -90.388 tors. eta vs tors. theta energy: -51.811 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: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -932.482215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.482215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.482215 (E_RNA) where: Base-Base interactions energy: -456.620 where: short stacking energy: -253.954 Base-Backbone interact. energy: 6.054 local terms energy: -481.916141 where: bonds (distance) C4'-P energy: -152.925 bonds (distance) P-C4' energy: -142.273 flat angles C4'-P-C4' energy: -123.767 flat angles P-C4'-P energy: -78.938 tors. eta vs tors. theta energy: 15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -836.321213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.321213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.321213 (E_RNA) where: Base-Base interactions energy: -420.870 where: short stacking energy: -239.308 Base-Backbone interact. energy: 2.025 local terms energy: -417.475329 where: bonds (distance) C4'-P energy: -126.987 bonds (distance) P-C4' energy: -110.313 flat angles C4'-P-C4' energy: -140.344 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: 7.028 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: 325 Temperature: 0.900000 Total energy: -3086.475363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.475363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.475363 (E_RNA) where: Base-Base interactions energy: -2092.987 where: short stacking energy: -883.665 Base-Backbone interact. energy: -2.107 local terms energy: -991.381831 where: bonds (distance) C4'-P energy: -194.782 bonds (distance) P-C4' energy: -196.482 flat angles C4'-P-C4' energy: -207.681 flat angles P-C4'-P energy: -127.720 tors. eta vs tors. theta energy: -264.717 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: 2, replica: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3013.732554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.732554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.732554 (E_RNA) where: Base-Base interactions energy: -2045.925 where: short stacking energy: -867.755 Base-Backbone interact. energy: -5.185 local terms energy: -962.621997 where: bonds (distance) C4'-P energy: -167.204 bonds (distance) P-C4' energy: -193.520 flat angles C4'-P-C4' energy: -209.238 flat angles P-C4'-P energy: -123.555 tors. eta vs tors. theta energy: -269.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2850.315977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.315977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.315977 (E_RNA) where: Base-Base interactions energy: -1926.125 where: short stacking energy: -849.631 Base-Backbone interact. energy: -7.358 local terms energy: -916.832975 where: bonds (distance) C4'-P energy: -171.842 bonds (distance) P-C4' energy: -168.941 flat angles C4'-P-C4' energy: -188.979 flat angles P-C4'-P energy: -122.390 tors. eta vs tors. theta energy: -264.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2660.441873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.441873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.441873 (E_RNA) where: Base-Base interactions energy: -1799.447 where: short stacking energy: -776.153 Base-Backbone interact. energy: -3.962 local terms energy: -857.032797 where: bonds (distance) C4'-P energy: -167.830 bonds (distance) P-C4' energy: -160.291 flat angles C4'-P-C4' energy: -195.826 flat angles P-C4'-P energy: -101.920 tors. eta vs tors. theta energy: -231.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2360.743021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.743021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.743021 (E_RNA) where: Base-Base interactions energy: -1577.426 where: short stacking energy: -684.182 Base-Backbone interact. energy: 1.427 local terms energy: -784.744296 where: bonds (distance) C4'-P energy: -152.198 bonds (distance) P-C4' energy: -169.692 flat angles C4'-P-C4' energy: -168.299 flat angles P-C4'-P energy: -107.717 tors. eta vs tors. theta energy: -186.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2282.834879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.834879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.834879 (E_RNA) where: Base-Base interactions energy: -1497.539 where: short stacking energy: -663.470 Base-Backbone interact. energy: 0.607 local terms energy: -785.902603 where: bonds (distance) C4'-P energy: -155.836 bonds (distance) P-C4' energy: -165.111 flat angles C4'-P-C4' energy: -177.859 flat angles P-C4'-P energy: -110.718 tors. eta vs tors. theta energy: -176.378 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: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1588.864476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.864476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.864476 (E_RNA) where: Base-Base interactions energy: -934.230 where: short stacking energy: -439.095 Base-Backbone interact. energy: -2.366 local terms energy: -652.268982 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -160.099 flat angles C4'-P-C4' energy: -146.594 flat angles P-C4'-P energy: -104.325 tors. eta vs tors. theta energy: -94.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1382.528153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.528153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.528153 (E_RNA) where: Base-Base interactions energy: -782.758 where: short stacking energy: -407.994 Base-Backbone interact. energy: 1.263 local terms energy: -601.033435 where: bonds (distance) C4'-P energy: -159.191 bonds (distance) P-C4' energy: -159.744 flat angles C4'-P-C4' energy: -123.414 flat angles P-C4'-P energy: -80.101 tors. eta vs tors. theta energy: -78.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -886.534716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.534716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.534716 (E_RNA) where: Base-Base interactions energy: -382.729 where: short stacking energy: -231.514 Base-Backbone interact. energy: -1.979 local terms energy: -501.826905 where: bonds (distance) C4'-P energy: -149.977 bonds (distance) P-C4' energy: -155.687 flat angles C4'-P-C4' energy: -136.114 flat angles P-C4'-P energy: -76.871 tors. eta vs tors. theta energy: 16.823 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: 325 Temperature: 1.350000 Total energy: -865.525418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.525418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.525418 (E_RNA) where: Base-Base interactions energy: -369.088 where: short stacking energy: -211.285 Base-Backbone interact. energy: -0.632 local terms energy: -495.806192 where: bonds (distance) C4'-P energy: -149.460 bonds (distance) P-C4' energy: -160.283 flat angles C4'-P-C4' energy: -124.923 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: 12.156 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: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3105.761989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.761989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.761989 (E_RNA) where: Base-Base interactions energy: -2110.069 where: short stacking energy: -940.537 Base-Backbone interact. energy: -3.967 local terms energy: -991.725612 where: bonds (distance) C4'-P energy: -179.492 bonds (distance) P-C4' energy: -193.057 flat angles C4'-P-C4' energy: -208.643 flat angles P-C4'-P energy: -142.992 tors. eta vs tors. theta energy: -267.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3004.984660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.984660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.984660 (E_RNA) where: Base-Base interactions energy: -2035.993 where: short stacking energy: -881.644 Base-Backbone interact. energy: -4.587 local terms energy: -964.404976 where: bonds (distance) C4'-P energy: -183.312 bonds (distance) P-C4' energy: -187.107 flat angles C4'-P-C4' energy: -195.798 flat angles P-C4'-P energy: -133.913 tors. eta vs tors. theta energy: -264.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2937.336728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.336728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.336728 (E_RNA) where: Base-Base interactions energy: -2023.422 where: short stacking energy: -866.833 Base-Backbone interact. energy: -1.099 local terms energy: -912.815323 where: bonds (distance) C4'-P energy: -172.429 bonds (distance) P-C4' energy: -180.177 flat angles C4'-P-C4' energy: -194.501 flat angles P-C4'-P energy: -114.316 tors. eta vs tors. theta energy: -251.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2666.792440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.792440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.792440 (E_RNA) where: Base-Base interactions energy: -1798.713 where: short stacking energy: -766.712 Base-Backbone interact. energy: -2.711 local terms energy: -865.368357 where: bonds (distance) C4'-P energy: -161.443 bonds (distance) P-C4' energy: -154.225 flat angles C4'-P-C4' energy: -179.201 flat angles P-C4'-P energy: -134.996 tors. eta vs tors. theta energy: -235.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2424.464283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.464283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.464283 (E_RNA) where: Base-Base interactions energy: -1610.585 where: short stacking energy: -756.214 Base-Backbone interact. energy: 0.223 local terms energy: -814.102814 where: bonds (distance) C4'-P energy: -138.892 bonds (distance) P-C4' energy: -182.935 flat angles C4'-P-C4' energy: -178.048 flat angles P-C4'-P energy: -95.421 tors. eta vs tors. theta energy: -218.807 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2308.598026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.598026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.598026 (E_RNA) where: Base-Base interactions energy: -1553.220 where: short stacking energy: -677.748 Base-Backbone interact. energy: 0.616 local terms energy: -755.994910 where: bonds (distance) C4'-P energy: -155.745 bonds (distance) P-C4' energy: -152.155 flat angles C4'-P-C4' energy: -163.603 flat angles P-C4'-P energy: -110.570 tors. eta vs tors. theta energy: -173.922 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: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1702.655646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.655646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.655646 (E_RNA) where: Base-Base interactions energy: -1036.529 where: short stacking energy: -476.929 Base-Backbone interact. energy: 5.725 local terms energy: -671.851246 where: bonds (distance) C4'-P energy: -161.507 bonds (distance) P-C4' energy: -168.090 flat angles C4'-P-C4' energy: -154.330 flat angles P-C4'-P energy: -84.838 tors. eta vs tors. theta energy: -103.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1428.993438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.993438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.993438 (E_RNA) where: Base-Base interactions energy: -842.348 where: short stacking energy: -431.318 Base-Backbone interact. energy: 0.183 local terms energy: -586.828119 where: bonds (distance) C4'-P energy: -142.890 bonds (distance) P-C4' energy: -154.021 flat angles C4'-P-C4' energy: -139.233 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -70.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -880.935445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.935445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.935445 (E_RNA) where: Base-Base interactions energy: -385.419 where: short stacking energy: -266.528 Base-Backbone interact. energy: 1.165 local terms energy: -496.682293 where: bonds (distance) C4'-P energy: -136.482 bonds (distance) P-C4' energy: -150.678 flat angles C4'-P-C4' energy: -143.165 flat angles P-C4'-P energy: -74.535 tors. eta vs tors. theta energy: 8.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -893.258333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.258333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.258333 (E_RNA) where: Base-Base interactions energy: -390.148 where: short stacking energy: -233.588 Base-Backbone interact. energy: -0.842 local terms energy: -502.268282 where: bonds (distance) C4'-P energy: -140.798 bonds (distance) P-C4' energy: -151.292 flat angles C4'-P-C4' energy: -138.164 flat angles P-C4'-P energy: -71.670 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3111.816611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.816611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.816611 (E_RNA) where: Base-Base interactions energy: -2137.650 where: short stacking energy: -935.318 Base-Backbone interact. energy: -1.966 local terms energy: -972.200132 where: bonds (distance) C4'-P energy: -174.698 bonds (distance) P-C4' energy: -181.758 flat angles C4'-P-C4' energy: -220.151 flat angles P-C4'-P energy: -137.080 tors. eta vs tors. theta energy: -258.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2993.481419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.481419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.481419 (E_RNA) where: Base-Base interactions energy: -2053.321 where: short stacking energy: -889.708 Base-Backbone interact. energy: 3.125 local terms energy: -943.285265 where: bonds (distance) C4'-P energy: -154.640 bonds (distance) P-C4' energy: -174.571 flat angles C4'-P-C4' energy: -203.434 flat angles P-C4'-P energy: -139.385 tors. eta vs tors. theta energy: -271.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2874.377016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.377016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.377016 (E_RNA) where: Base-Base interactions energy: -1972.125 where: short stacking energy: -865.154 Base-Backbone interact. energy: -4.235 local terms energy: -898.016128 where: bonds (distance) C4'-P energy: -147.566 bonds (distance) P-C4' energy: -174.711 flat angles C4'-P-C4' energy: -206.421 flat angles P-C4'-P energy: -115.766 tors. eta vs tors. theta energy: -253.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2658.356196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.356196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.356196 (E_RNA) where: Base-Base interactions energy: -1761.068 where: short stacking energy: -768.970 Base-Backbone interact. energy: -1.173 local terms energy: -896.114784 where: bonds (distance) C4'-P energy: -170.388 bonds (distance) P-C4' energy: -196.920 flat angles C4'-P-C4' energy: -180.459 flat angles P-C4'-P energy: -128.429 tors. eta vs tors. theta energy: -219.918 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: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2453.689518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.689518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.689518 (E_RNA) where: Base-Base interactions energy: -1596.106 where: short stacking energy: -713.970 Base-Backbone interact. energy: -2.077 local terms energy: -855.506923 where: bonds (distance) C4'-P energy: -158.058 bonds (distance) P-C4' energy: -186.908 flat angles C4'-P-C4' energy: -170.452 flat angles P-C4'-P energy: -128.950 tors. eta vs tors. theta energy: -211.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2297.577186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.577186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.577186 (E_RNA) where: Base-Base interactions energy: -1472.648 where: short stacking energy: -665.514 Base-Backbone interact. energy: -3.341 local terms energy: -821.587976 where: bonds (distance) C4'-P energy: -167.656 bonds (distance) P-C4' energy: -157.612 flat angles C4'-P-C4' energy: -187.208 flat angles P-C4'-P energy: -113.308 tors. eta vs tors. theta energy: -195.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1716.688345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.688345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.688345 (E_RNA) where: Base-Base interactions energy: -1045.138 where: short stacking energy: -482.684 Base-Backbone interact. energy: 3.729 local terms energy: -675.278817 where: bonds (distance) C4'-P energy: -137.814 bonds (distance) P-C4' energy: -143.477 flat angles C4'-P-C4' energy: -170.120 flat angles P-C4'-P energy: -113.148 tors. eta vs tors. theta energy: -110.720 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: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1416.503106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.503106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.503106 (E_RNA) where: Base-Base interactions energy: -803.660 where: short stacking energy: -403.116 Base-Backbone interact. energy: 4.195 local terms energy: -617.037648 where: bonds (distance) C4'-P energy: -158.921 bonds (distance) P-C4' energy: -167.204 flat angles C4'-P-C4' energy: -141.359 flat angles P-C4'-P energy: -102.865 tors. eta vs tors. theta energy: -46.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -899.068856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.068856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.068856 (E_RNA) where: Base-Base interactions energy: -371.307 where: short stacking energy: -214.916 Base-Backbone interact. energy: -2.358 local terms energy: -525.404065 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -167.373 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -91.282 tors. eta vs tors. theta energy: 17.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -862.690023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.690023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.690023 (E_RNA) where: Base-Base interactions energy: -390.247 where: short stacking energy: -241.112 Base-Backbone interact. energy: 7.748 local terms energy: -480.191107 where: bonds (distance) C4'-P energy: -143.869 bonds (distance) P-C4' energy: -123.077 flat angles C4'-P-C4' energy: -128.867 flat angles P-C4'-P energy: -86.151 tors. eta vs tors. theta energy: 1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3072.569305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.569305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.569305 (E_RNA) where: Base-Base interactions energy: -2113.732 where: short stacking energy: -916.758 Base-Backbone interact. energy: 4.478 local terms energy: -963.315541 where: bonds (distance) C4'-P energy: -173.676 bonds (distance) P-C4' energy: -179.744 flat angles C4'-P-C4' energy: -210.356 flat angles P-C4'-P energy: -149.967 tors. eta vs tors. theta energy: -249.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -3068.451235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.451235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.451235 (E_RNA) where: Base-Base interactions energy: -2058.450 where: short stacking energy: -920.963 Base-Backbone interact. energy: -5.864 local terms energy: -1004.137751 where: bonds (distance) C4'-P energy: -175.826 bonds (distance) P-C4' energy: -188.510 flat angles C4'-P-C4' energy: -220.670 flat angles P-C4'-P energy: -141.297 tors. eta vs tors. theta energy: -277.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2888.031610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.031610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.031610 (E_RNA) where: Base-Base interactions energy: -1976.894 where: short stacking energy: -877.482 Base-Backbone interact. energy: -4.156 local terms energy: -906.980715 where: bonds (distance) C4'-P energy: -159.275 bonds (distance) P-C4' energy: -155.891 flat angles C4'-P-C4' energy: -200.682 flat angles P-C4'-P energy: -133.317 tors. eta vs tors. theta energy: -257.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2666.570165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.570165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.570165 (E_RNA) where: Base-Base interactions energy: -1791.630 where: short stacking energy: -762.162 Base-Backbone interact. energy: -0.730 local terms energy: -874.210379 where: bonds (distance) C4'-P energy: -167.915 bonds (distance) P-C4' energy: -181.936 flat angles C4'-P-C4' energy: -187.231 flat angles P-C4'-P energy: -116.552 tors. eta vs tors. theta energy: -220.575 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: 5, replica: 5 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2437.380340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.380340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.380340 (E_RNA) where: Base-Base interactions energy: -1629.585 where: short stacking energy: -731.645 Base-Backbone interact. energy: 0.471 local terms energy: -808.266459 where: bonds (distance) C4'-P energy: -147.142 bonds (distance) P-C4' energy: -165.319 flat angles C4'-P-C4' energy: -171.816 flat angles P-C4'-P energy: -120.770 tors. eta vs tors. theta energy: -203.220 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: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2256.204405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.204405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.204405 (E_RNA) where: Base-Base interactions energy: -1480.306 where: short stacking energy: -651.934 Base-Backbone interact. energy: -3.468 local terms energy: -772.430555 where: bonds (distance) C4'-P energy: -163.087 bonds (distance) P-C4' energy: -168.073 flat angles C4'-P-C4' energy: -169.418 flat angles P-C4'-P energy: -93.351 tors. eta vs tors. theta energy: -178.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1709.493010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.493010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.493010 (E_RNA) where: Base-Base interactions energy: -1033.193 where: short stacking energy: -505.451 Base-Backbone interact. energy: -0.396 local terms energy: -675.904153 where: bonds (distance) C4'-P energy: -130.714 bonds (distance) P-C4' energy: -152.651 flat angles C4'-P-C4' energy: -165.981 flat angles P-C4'-P energy: -120.134 tors. eta vs tors. theta energy: -106.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1395.363751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.363751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.363751 (E_RNA) where: Base-Base interactions energy: -796.674 where: short stacking energy: -390.728 Base-Backbone interact. energy: 3.082 local terms energy: -601.771893 where: bonds (distance) C4'-P energy: -144.251 bonds (distance) P-C4' energy: -142.431 flat angles C4'-P-C4' energy: -160.435 flat angles P-C4'-P energy: -97.365 tors. eta vs tors. theta energy: -57.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -964.373819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.373819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.373819 (E_RNA) where: Base-Base interactions energy: -485.928 where: short stacking energy: -257.706 Base-Backbone interact. energy: -5.071 local terms energy: -473.374567 where: bonds (distance) C4'-P energy: -132.470 bonds (distance) P-C4' energy: -149.399 flat angles C4'-P-C4' energy: -132.092 flat angles P-C4'-P energy: -73.792 tors. eta vs tors. theta energy: 14.378 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: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -829.574155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.574155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.574155 (E_RNA) where: Base-Base interactions energy: -316.857 where: short stacking energy: -200.324 Base-Backbone interact. energy: 0.174 local terms energy: -512.890397 where: bonds (distance) C4'-P energy: -159.059 bonds (distance) P-C4' energy: -166.661 flat angles C4'-P-C4' energy: -119.308 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: 13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3113.915496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.915496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.915496 (E_RNA) where: Base-Base interactions energy: -2149.974 where: short stacking energy: -885.139 Base-Backbone interact. energy: -3.311 local terms energy: -960.630352 where: bonds (distance) C4'-P energy: -183.105 bonds (distance) P-C4' energy: -187.200 flat angles C4'-P-C4' energy: -210.711 flat angles P-C4'-P energy: -126.185 tors. eta vs tors. theta energy: -253.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3025.735220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.735220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.735220 (E_RNA) where: Base-Base interactions energy: -2044.966 where: short stacking energy: -943.291 Base-Backbone interact. energy: 0.090 local terms energy: -980.858845 where: bonds (distance) C4'-P energy: -170.190 bonds (distance) P-C4' energy: -185.316 flat angles C4'-P-C4' energy: -214.072 flat angles P-C4'-P energy: -118.322 tors. eta vs tors. theta energy: -292.959 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: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2896.091832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.091832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.091832 (E_RNA) where: Base-Base interactions energy: -1947.902 where: short stacking energy: -847.744 Base-Backbone interact. energy: -2.531 local terms energy: -945.658895 where: bonds (distance) C4'-P energy: -162.743 bonds (distance) P-C4' energy: -188.201 flat angles C4'-P-C4' energy: -196.197 flat angles P-C4'-P energy: -144.155 tors. eta vs tors. theta energy: -254.363 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: 329 Temperature: 1.050000 Total energy: -2702.643056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.643056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.643056 (E_RNA) where: Base-Base interactions energy: -1811.744 where: short stacking energy: -774.649 Base-Backbone interact. energy: -0.317 local terms energy: -890.582004 where: bonds (distance) C4'-P energy: -172.325 bonds (distance) P-C4' energy: -176.113 flat angles C4'-P-C4' energy: -180.556 flat angles P-C4'-P energy: -128.694 tors. eta vs tors. theta energy: -232.894 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: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2498.912814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.912814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.912814 (E_RNA) where: Base-Base interactions energy: -1678.530 where: short stacking energy: -740.811 Base-Backbone interact. energy: 1.626 local terms energy: -822.008928 where: bonds (distance) C4'-P energy: -148.153 bonds (distance) P-C4' energy: -163.166 flat angles C4'-P-C4' energy: -182.329 flat angles P-C4'-P energy: -114.606 tors. eta vs tors. theta energy: -213.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2271.901186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.901186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.901186 (E_RNA) where: Base-Base interactions energy: -1491.261 where: short stacking energy: -664.610 Base-Backbone interact. energy: -2.297 local terms energy: -778.342935 where: bonds (distance) C4'-P energy: -168.566 bonds (distance) P-C4' energy: -152.513 flat angles C4'-P-C4' energy: -174.245 flat angles P-C4'-P energy: -99.656 tors. eta vs tors. theta energy: -183.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1666.004612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.004612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.004612 (E_RNA) where: Base-Base interactions energy: -1031.319 where: short stacking energy: -466.275 Base-Backbone interact. energy: -2.631 local terms energy: -632.054707 where: bonds (distance) C4'-P energy: -158.028 bonds (distance) P-C4' energy: -161.283 flat angles C4'-P-C4' energy: -149.343 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -89.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1455.209440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.209440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.209440 (E_RNA) where: Base-Base interactions energy: -872.123 where: short stacking energy: -426.402 Base-Backbone interact. energy: 1.918 local terms energy: -585.004192 where: bonds (distance) C4'-P energy: -139.647 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -150.074 flat angles P-C4'-P energy: -72.078 tors. eta vs tors. theta energy: -81.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -906.400589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.400589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.400589 (E_RNA) where: Base-Base interactions energy: -396.684 where: short stacking energy: -253.015 Base-Backbone interact. energy: 4.646 local terms energy: -514.362637 where: bonds (distance) C4'-P energy: -128.860 bonds (distance) P-C4' energy: -163.401 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -91.838 tors. eta vs tors. theta energy: 8.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -762.503403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.503403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.503403 (E_RNA) where: Base-Base interactions energy: -283.985 where: short stacking energy: -202.067 Base-Backbone interact. energy: 2.205 local terms energy: -480.723323 where: bonds (distance) C4'-P energy: -161.671 bonds (distance) P-C4' energy: -168.847 flat angles C4'-P-C4' energy: -103.363 flat angles P-C4'-P energy: -83.915 tors. eta vs tors. theta energy: 37.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3077.181421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.181421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.181421 (E_RNA) where: Base-Base interactions energy: -2117.032 where: short stacking energy: -861.992 Base-Backbone interact. energy: -5.400 local terms energy: -954.749354 where: bonds (distance) C4'-P energy: -176.894 bonds (distance) P-C4' energy: -170.406 flat angles C4'-P-C4' energy: -211.207 flat angles P-C4'-P energy: -146.336 tors. eta vs tors. theta energy: -249.907 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: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3009.382814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.382814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.382814 (E_RNA) where: Base-Base interactions energy: -2052.143 where: short stacking energy: -889.243 Base-Backbone interact. energy: -4.937 local terms energy: -952.303117 where: bonds (distance) C4'-P energy: -180.709 bonds (distance) P-C4' energy: -159.668 flat angles C4'-P-C4' energy: -203.808 flat angles P-C4'-P energy: -145.943 tors. eta vs tors. theta energy: -262.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2824.351067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.351067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.351067 (E_RNA) where: Base-Base interactions energy: -1912.673 where: short stacking energy: -834.014 Base-Backbone interact. energy: 1.042 local terms energy: -912.719689 where: bonds (distance) C4'-P energy: -160.547 bonds (distance) P-C4' energy: -178.006 flat angles C4'-P-C4' energy: -187.525 flat angles P-C4'-P energy: -128.351 tors. eta vs tors. theta energy: -258.291 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: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2692.484330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.484330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.484330 (E_RNA) where: Base-Base interactions energy: -1797.742 where: short stacking energy: -771.448 Base-Backbone interact. energy: -1.796 local terms energy: -892.946222 where: bonds (distance) C4'-P energy: -183.668 bonds (distance) P-C4' energy: -183.356 flat angles C4'-P-C4' energy: -178.586 flat angles P-C4'-P energy: -117.571 tors. eta vs tors. theta energy: -229.765 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: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2501.365712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.365712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.365712 (E_RNA) where: Base-Base interactions energy: -1670.800 where: short stacking energy: -753.419 Base-Backbone interact. energy: -0.925 local terms energy: -829.640919 where: bonds (distance) C4'-P energy: -142.845 bonds (distance) P-C4' energy: -157.006 flat angles C4'-P-C4' energy: -175.504 flat angles P-C4'-P energy: -138.072 tors. eta vs tors. theta energy: -216.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2243.378181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.378181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.378181 (E_RNA) where: Base-Base interactions energy: -1506.269 where: short stacking energy: -691.447 Base-Backbone interact. energy: 1.120 local terms energy: -738.228772 where: bonds (distance) C4'-P energy: -147.434 bonds (distance) P-C4' energy: -130.381 flat angles C4'-P-C4' energy: -170.728 flat angles P-C4'-P energy: -103.679 tors. eta vs tors. theta energy: -186.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1709.459311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.459311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.459311 (E_RNA) where: Base-Base interactions energy: -1077.977 where: short stacking energy: -477.489 Base-Backbone interact. energy: -4.230 local terms energy: -627.252454 where: bonds (distance) C4'-P energy: -147.395 bonds (distance) P-C4' energy: -168.051 flat angles C4'-P-C4' energy: -155.519 flat angles P-C4'-P energy: -75.251 tors. eta vs tors. theta energy: -81.036 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: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1454.771215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.771215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.771215 (E_RNA) where: Base-Base interactions energy: -835.435 where: short stacking energy: -403.735 Base-Backbone interact. energy: 4.258 local terms energy: -623.593377 where: bonds (distance) C4'-P energy: -157.605 bonds (distance) P-C4' energy: -168.512 flat angles C4'-P-C4' energy: -141.393 flat angles P-C4'-P energy: -102.324 tors. eta vs tors. theta energy: -53.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -925.008847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.008847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.008847 (E_RNA) where: Base-Base interactions energy: -431.864 where: short stacking energy: -281.208 Base-Backbone interact. energy: 1.561 local terms energy: -494.704988 where: bonds (distance) C4'-P energy: -140.663 bonds (distance) P-C4' energy: -144.982 flat angles C4'-P-C4' energy: -139.474 flat angles P-C4'-P energy: -62.223 tors. eta vs tors. theta energy: -7.362 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: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -713.247951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.247951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.247951 (E_RNA) where: Base-Base interactions energy: -266.739 where: short stacking energy: -198.682 Base-Backbone interact. energy: -0.947 local terms energy: -445.561239 where: bonds (distance) C4'-P energy: -130.143 bonds (distance) P-C4' energy: -154.462 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -75.640 tors. eta vs tors. theta energy: 42.317 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: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3140.774415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.774415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.774415 (E_RNA) where: Base-Base interactions energy: -2165.286 where: short stacking energy: -903.335 Base-Backbone interact. energy: 4.972 local terms energy: -980.460386 where: bonds (distance) C4'-P energy: -183.123 bonds (distance) P-C4' energy: -176.298 flat angles C4'-P-C4' energy: -223.424 flat angles P-C4'-P energy: -145.486 tors. eta vs tors. theta energy: -252.130 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: 331 Temperature: 0.950000 Total energy: -3026.907878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.907878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.907878 (E_RNA) where: Base-Base interactions energy: -2072.225 where: short stacking energy: -906.801 Base-Backbone interact. energy: -2.896 local terms energy: -951.787214 where: bonds (distance) C4'-P energy: -164.643 bonds (distance) P-C4' energy: -172.303 flat angles C4'-P-C4' energy: -211.536 flat angles P-C4'-P energy: -133.200 tors. eta vs tors. theta energy: -270.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2814.761381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.761381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.761381 (E_RNA) where: Base-Base interactions energy: -1924.589 where: short stacking energy: -811.129 Base-Backbone interact. energy: -2.149 local terms energy: -888.022786 where: bonds (distance) C4'-P energy: -172.822 bonds (distance) P-C4' energy: -166.698 flat angles C4'-P-C4' energy: -197.928 flat angles P-C4'-P energy: -116.504 tors. eta vs tors. theta energy: -234.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2694.298088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.298088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.298088 (E_RNA) where: Base-Base interactions energy: -1818.176 where: short stacking energy: -790.047 Base-Backbone interact. energy: -1.513 local terms energy: -874.609263 where: bonds (distance) C4'-P energy: -153.603 bonds (distance) P-C4' energy: -149.719 flat angles C4'-P-C4' energy: -201.049 flat angles P-C4'-P energy: -127.862 tors. eta vs tors. theta energy: -242.376 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: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2553.620410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.620410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.620410 (E_RNA) where: Base-Base interactions energy: -1743.264 where: short stacking energy: -784.765 Base-Backbone interact. energy: -2.871 local terms energy: -807.484659 where: bonds (distance) C4'-P energy: -151.087 bonds (distance) P-C4' energy: -137.697 flat angles C4'-P-C4' energy: -185.712 flat angles P-C4'-P energy: -110.631 tors. eta vs tors. theta energy: -222.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2282.394818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.394818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.394818 (E_RNA) where: Base-Base interactions energy: -1471.612 where: short stacking energy: -638.661 Base-Backbone interact. energy: -2.608 local terms energy: -808.174480 where: bonds (distance) C4'-P energy: -155.266 bonds (distance) P-C4' energy: -175.442 flat angles C4'-P-C4' energy: -176.820 flat angles P-C4'-P energy: -114.643 tors. eta vs tors. theta energy: -186.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1659.631786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.631786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.631786 (E_RNA) where: Base-Base interactions energy: -1046.349 where: short stacking energy: -491.793 Base-Backbone interact. energy: -0.442 local terms energy: -612.840664 where: bonds (distance) C4'-P energy: -142.183 bonds (distance) P-C4' energy: -174.205 flat angles C4'-P-C4' energy: -141.819 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: -80.169 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: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1475.302717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.302717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.302717 (E_RNA) where: Base-Base interactions energy: -862.778 where: short stacking energy: -398.877 Base-Backbone interact. energy: 0.337 local terms energy: -612.862218 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -152.861 flat angles C4'-P-C4' energy: -154.855 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -75.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -964.495828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.495828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.495828 (E_RNA) where: Base-Base interactions energy: -448.258 where: short stacking energy: -249.834 Base-Backbone interact. energy: -3.305 local terms energy: -512.933177 where: bonds (distance) C4'-P energy: -147.210 bonds (distance) P-C4' energy: -147.285 flat angles C4'-P-C4' energy: -145.067 flat angles P-C4'-P energy: -86.138 tors. eta vs tors. theta energy: 12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -726.396319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.396319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.396319 (E_RNA) where: Base-Base interactions energy: -237.255 where: short stacking energy: -191.548 Base-Backbone interact. energy: -1.089 local terms energy: -488.052390 where: bonds (distance) C4'-P energy: -165.619 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -126.300 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: 18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3102.374274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.374274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.374274 (E_RNA) where: Base-Base interactions energy: -2148.679 where: short stacking energy: -891.189 Base-Backbone interact. energy: -0.421 local terms energy: -953.273712 where: bonds (distance) C4'-P energy: -178.490 bonds (distance) P-C4' energy: -187.254 flat angles C4'-P-C4' energy: -210.956 flat angles P-C4'-P energy: -132.207 tors. eta vs tors. theta energy: -244.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3012.404682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.404682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.404682 (E_RNA) where: Base-Base interactions energy: -2043.036 where: short stacking energy: -881.591 Base-Backbone interact. energy: -3.570 local terms energy: -965.798398 where: bonds (distance) C4'-P energy: -163.814 bonds (distance) P-C4' energy: -182.622 flat angles C4'-P-C4' energy: -203.724 flat angles P-C4'-P energy: -139.075 tors. eta vs tors. theta energy: -276.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2864.756404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.756404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.756404 (E_RNA) where: Base-Base interactions energy: -1944.985 where: short stacking energy: -877.267 Base-Backbone interact. energy: -0.696 local terms energy: -919.075071 where: bonds (distance) C4'-P energy: -150.845 bonds (distance) P-C4' energy: -161.357 flat angles C4'-P-C4' energy: -202.324 flat angles P-C4'-P energy: -135.072 tors. eta vs tors. theta energy: -269.477 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: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2655.795305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.795305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.795305 (E_RNA) where: Base-Base interactions energy: -1818.755 where: short stacking energy: -793.281 Base-Backbone interact. energy: -4.014 local terms energy: -833.025932 where: bonds (distance) C4'-P energy: -152.380 bonds (distance) P-C4' energy: -145.605 flat angles C4'-P-C4' energy: -179.255 flat angles P-C4'-P energy: -125.861 tors. eta vs tors. theta energy: -229.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2551.359146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.359146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.359146 (E_RNA) where: Base-Base interactions energy: -1707.299 where: short stacking energy: -721.437 Base-Backbone interact. energy: 4.107 local terms energy: -848.167285 where: bonds (distance) C4'-P energy: -162.041 bonds (distance) P-C4' energy: -165.146 flat angles C4'-P-C4' energy: -176.204 flat angles P-C4'-P energy: -125.040 tors. eta vs tors. theta energy: -219.736 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: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2349.499278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.499278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.499278 (E_RNA) where: Base-Base interactions energy: -1509.578 where: short stacking energy: -712.687 Base-Backbone interact. energy: -4.661 local terms energy: -835.260670 where: bonds (distance) C4'-P energy: -161.280 bonds (distance) P-C4' energy: -178.466 flat angles C4'-P-C4' energy: -178.343 flat angles P-C4'-P energy: -112.816 tors. eta vs tors. theta energy: -204.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1681.295943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.295943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.295943 (E_RNA) where: Base-Base interactions energy: -1054.443 where: short stacking energy: -475.355 Base-Backbone interact. energy: 2.790 local terms energy: -629.643035 where: bonds (distance) C4'-P energy: -135.558 bonds (distance) P-C4' energy: -157.646 flat angles C4'-P-C4' energy: -149.357 flat angles P-C4'-P energy: -91.220 tors. eta vs tors. theta energy: -95.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1471.406393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.406393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.406393 (E_RNA) where: Base-Base interactions energy: -859.359 where: short stacking energy: -392.568 Base-Backbone interact. energy: 0.445 local terms energy: -612.493048 where: bonds (distance) C4'-P energy: -152.618 bonds (distance) P-C4' energy: -158.042 flat angles C4'-P-C4' energy: -146.259 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -57.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -948.103740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.103740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.103740 (E_RNA) where: Base-Base interactions energy: -428.787 where: short stacking energy: -262.839 Base-Backbone interact. energy: -3.329 local terms energy: -515.988072 where: bonds (distance) C4'-P energy: -134.042 bonds (distance) P-C4' energy: -170.702 flat angles C4'-P-C4' energy: -119.270 flat angles P-C4'-P energy: -97.958 tors. eta vs tors. theta energy: 5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -729.373350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.373350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.373350 (E_RNA) where: Base-Base interactions energy: -276.837 where: short stacking energy: -202.817 Base-Backbone interact. energy: 3.606 local terms energy: -456.142468 where: bonds (distance) C4'-P energy: -157.520 bonds (distance) P-C4' energy: -135.333 flat angles C4'-P-C4' energy: -121.220 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: 23.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3112.134007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.134007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.134007 (E_RNA) where: Base-Base interactions energy: -2118.684 where: short stacking energy: -894.091 Base-Backbone interact. energy: -4.478 local terms energy: -988.972097 where: bonds (distance) C4'-P energy: -187.899 bonds (distance) P-C4' energy: -190.465 flat angles C4'-P-C4' energy: -207.441 flat angles P-C4'-P energy: -140.006 tors. eta vs tors. theta energy: -263.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2993.145542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.145542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.145542 (E_RNA) where: Base-Base interactions energy: -2011.443 where: short stacking energy: -894.024 Base-Backbone interact. energy: -4.817 local terms energy: -976.885949 where: bonds (distance) C4'-P energy: -190.328 bonds (distance) P-C4' energy: -178.504 flat angles C4'-P-C4' energy: -206.772 flat angles P-C4'-P energy: -126.461 tors. eta vs tors. theta energy: -274.821 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: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2861.845291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.845291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.845291 (E_RNA) where: Base-Base interactions energy: -1938.947 where: short stacking energy: -873.999 Base-Backbone interact. energy: 0.399 local terms energy: -923.297270 where: bonds (distance) C4'-P energy: -170.257 bonds (distance) P-C4' energy: -172.740 flat angles C4'-P-C4' energy: -201.426 flat angles P-C4'-P energy: -111.905 tors. eta vs tors. theta energy: -266.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2617.530534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.530534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.530534 (E_RNA) where: Base-Base interactions energy: -1787.658 where: short stacking energy: -808.958 Base-Backbone interact. energy: 0.243 local terms energy: -830.115905 where: bonds (distance) C4'-P energy: -158.674 bonds (distance) P-C4' energy: -155.104 flat angles C4'-P-C4' energy: -175.661 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -243.946 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: 333 Temperature: 1.100000 Total energy: -2574.578181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.578181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.578181 (E_RNA) where: Base-Base interactions energy: -1740.452 where: short stacking energy: -743.185 Base-Backbone interact. energy: 9.489 local terms energy: -843.615550 where: bonds (distance) C4'-P energy: -167.495 bonds (distance) P-C4' energy: -162.249 flat angles C4'-P-C4' energy: -185.144 flat angles P-C4'-P energy: -117.257 tors. eta vs tors. theta energy: -211.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2238.340226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.340226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.340226 (E_RNA) where: Base-Base interactions energy: -1476.222 where: short stacking energy: -649.143 Base-Backbone interact. energy: -1.806 local terms energy: -760.311438 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -156.117 flat angles C4'-P-C4' energy: -166.456 flat angles P-C4'-P energy: -115.652 tors. eta vs tors. theta energy: -177.335 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: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1642.498547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.498547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.498547 (E_RNA) where: Base-Base interactions energy: -1015.704 where: short stacking energy: -452.973 Base-Backbone interact. energy: 4.702 local terms energy: -631.496105 where: bonds (distance) C4'-P energy: -142.996 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -150.691 flat angles P-C4'-P energy: -101.479 tors. eta vs tors. theta energy: -84.546 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: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1480.152202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.152202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.152202 (E_RNA) where: Base-Base interactions energy: -854.049 where: short stacking energy: -415.677 Base-Backbone interact. energy: -0.563 local terms energy: -625.540171 where: bonds (distance) C4'-P energy: -159.472 bonds (distance) P-C4' energy: -169.846 flat angles C4'-P-C4' energy: -151.442 flat angles P-C4'-P energy: -79.521 tors. eta vs tors. theta energy: -65.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -954.634901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.634901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.634901 (E_RNA) where: Base-Base interactions energy: -464.336 where: short stacking energy: -288.372 Base-Backbone interact. energy: 0.697 local terms energy: -490.995821 where: bonds (distance) C4'-P energy: -126.684 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -127.082 flat angles P-C4'-P energy: -88.032 tors. eta vs tors. theta energy: 0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -807.415902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.415902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.415902 (E_RNA) where: Base-Base interactions energy: -337.818 where: short stacking energy: -237.556 Base-Backbone interact. energy: 2.716 local terms energy: -472.314226 where: bonds (distance) C4'-P energy: -150.508 bonds (distance) P-C4' energy: -168.227 flat angles C4'-P-C4' energy: -102.900 flat angles P-C4'-P energy: -72.919 tors. eta vs tors. theta energy: 22.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3089.104071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.104071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.104071 (E_RNA) where: Base-Base interactions energy: -2105.947 where: short stacking energy: -890.019 Base-Backbone interact. energy: -3.584 local terms energy: -979.573710 where: bonds (distance) C4'-P energy: -177.781 bonds (distance) P-C4' energy: -190.460 flat angles C4'-P-C4' energy: -215.729 flat angles P-C4'-P energy: -135.580 tors. eta vs tors. theta energy: -260.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2988.086696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.086696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.086696 (E_RNA) where: Base-Base interactions energy: -2027.918 where: short stacking energy: -888.575 Base-Backbone interact. energy: -1.809 local terms energy: -958.359495 where: bonds (distance) C4'-P energy: -186.760 bonds (distance) P-C4' energy: -168.491 flat angles C4'-P-C4' energy: -205.789 flat angles P-C4'-P energy: -138.519 tors. eta vs tors. theta energy: -258.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2911.730715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.730715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.730715 (E_RNA) where: Base-Base interactions energy: -1991.092 where: short stacking energy: -866.674 Base-Backbone interact. energy: -5.472 local terms energy: -915.166734 where: bonds (distance) C4'-P energy: -173.408 bonds (distance) P-C4' energy: -171.852 flat angles C4'-P-C4' energy: -179.523 flat angles P-C4'-P energy: -123.280 tors. eta vs tors. theta energy: -267.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2610.530232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.530232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.530232 (E_RNA) where: Base-Base interactions energy: -1790.787 where: short stacking energy: -781.594 Base-Backbone interact. energy: -4.673 local terms energy: -815.071072 where: bonds (distance) C4'-P energy: -160.591 bonds (distance) P-C4' energy: -144.536 flat angles C4'-P-C4' energy: -178.818 flat angles P-C4'-P energy: -109.110 tors. eta vs tors. theta energy: -222.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2547.922117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.922117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.922117 (E_RNA) where: Base-Base interactions energy: -1721.723 where: short stacking energy: -737.120 Base-Backbone interact. energy: -4.263 local terms energy: -821.935874 where: bonds (distance) C4'-P energy: -165.913 bonds (distance) P-C4' energy: -154.245 flat angles C4'-P-C4' energy: -180.186 flat angles P-C4'-P energy: -115.102 tors. eta vs tors. theta energy: -206.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2268.931658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.931658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.931658 (E_RNA) where: Base-Base interactions energy: -1473.225 where: short stacking energy: -675.107 Base-Backbone interact. energy: 1.462 local terms energy: -797.168010 where: bonds (distance) C4'-P energy: -157.974 bonds (distance) P-C4' energy: -153.031 flat angles C4'-P-C4' energy: -173.025 flat angles P-C4'-P energy: -128.427 tors. eta vs tors. theta energy: -184.711 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: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1695.397605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.397605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.397605 (E_RNA) where: Base-Base interactions energy: -1030.891 where: short stacking energy: -469.070 Base-Backbone interact. energy: -3.460 local terms energy: -661.047087 where: bonds (distance) C4'-P energy: -142.273 bonds (distance) P-C4' energy: -172.484 flat angles C4'-P-C4' energy: -170.884 flat angles P-C4'-P energy: -74.969 tors. eta vs tors. theta energy: -100.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1466.585160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.585160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.585160 (E_RNA) where: Base-Base interactions energy: -861.774 where: short stacking energy: -417.488 Base-Backbone interact. energy: 0.893 local terms energy: -605.704578 where: bonds (distance) C4'-P energy: -131.641 bonds (distance) P-C4' energy: -147.892 flat angles C4'-P-C4' energy: -160.252 flat angles P-C4'-P energy: -104.190 tors. eta vs tors. theta energy: -61.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -979.492856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.492856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.492856 (E_RNA) where: Base-Base interactions energy: -486.825 where: short stacking energy: -303.071 Base-Backbone interact. energy: 0.995 local terms energy: -493.663036 where: bonds (distance) C4'-P energy: -133.365 bonds (distance) P-C4' energy: -156.317 flat angles C4'-P-C4' energy: -146.018 flat angles P-C4'-P energy: -78.222 tors. eta vs tors. theta energy: 20.259 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: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -765.114510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.114510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.114510 (E_RNA) where: Base-Base interactions energy: -308.494 where: short stacking energy: -230.832 Base-Backbone interact. energy: 2.664 local terms energy: -459.284291 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -149.580 flat angles C4'-P-C4' energy: -128.287 flat angles P-C4'-P energy: -71.479 tors. eta vs tors. theta energy: 21.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3089.697321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.697321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.697321 (E_RNA) where: Base-Base interactions energy: -2125.958 where: short stacking energy: -909.863 Base-Backbone interact. energy: -2.925 local terms energy: -960.814326 where: bonds (distance) C4'-P energy: -180.402 bonds (distance) P-C4' energy: -171.887 flat angles C4'-P-C4' energy: -202.768 flat angles P-C4'-P energy: -146.690 tors. eta vs tors. theta energy: -259.067 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2995.600895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.600895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.600895 (E_RNA) where: Base-Base interactions energy: -2044.521 where: short stacking energy: -869.775 Base-Backbone interact. energy: -9.228 local terms energy: -941.851983 where: bonds (distance) C4'-P energy: -170.022 bonds (distance) P-C4' energy: -176.014 flat angles C4'-P-C4' energy: -197.302 flat angles P-C4'-P energy: -135.481 tors. eta vs tors. theta energy: -263.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2874.165421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.165421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.165421 (E_RNA) where: Base-Base interactions energy: -1949.265 where: short stacking energy: -840.565 Base-Backbone interact. energy: -2.771 local terms energy: -922.129717 where: bonds (distance) C4'-P energy: -188.664 bonds (distance) P-C4' energy: -161.396 flat angles C4'-P-C4' energy: -191.139 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -263.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2561.538729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.538729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.538729 (E_RNA) where: Base-Base interactions energy: -1708.488 where: short stacking energy: -772.087 Base-Backbone interact. energy: 0.754 local terms energy: -853.804653 where: bonds (distance) C4'-P energy: -163.388 bonds (distance) P-C4' energy: -162.478 flat angles C4'-P-C4' energy: -194.957 flat angles P-C4'-P energy: -113.444 tors. eta vs tors. theta energy: -219.537 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: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2523.975882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.975882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.975882 (E_RNA) where: Base-Base interactions energy: -1684.417 where: short stacking energy: -716.331 Base-Backbone interact. energy: 2.304 local terms energy: -841.863335 where: bonds (distance) C4'-P energy: -147.880 bonds (distance) P-C4' energy: -160.310 flat angles C4'-P-C4' energy: -192.185 flat angles P-C4'-P energy: -131.468 tors. eta vs tors. theta energy: -210.020 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: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2258.456576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.456576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.456576 (E_RNA) where: Base-Base interactions energy: -1452.456 where: short stacking energy: -652.631 Base-Backbone interact. energy: -1.590 local terms energy: -804.410092 where: bonds (distance) C4'-P energy: -170.812 bonds (distance) P-C4' energy: -165.064 flat angles C4'-P-C4' energy: -165.928 flat angles P-C4'-P energy: -128.550 tors. eta vs tors. theta energy: -174.055 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: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1641.892781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.892781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.892781 (E_RNA) where: Base-Base interactions energy: -993.502 where: short stacking energy: -455.842 Base-Backbone interact. energy: -1.240 local terms energy: -647.150607 where: bonds (distance) C4'-P energy: -152.201 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -156.099 flat angles P-C4'-P energy: -96.870 tors. eta vs tors. theta energy: -84.269 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: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1438.578271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.578271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.578271 (E_RNA) where: Base-Base interactions energy: -826.302 where: short stacking energy: -407.903 Base-Backbone interact. energy: -1.253 local terms energy: -611.023015 where: bonds (distance) C4'-P energy: -146.499 bonds (distance) P-C4' energy: -143.482 flat angles C4'-P-C4' energy: -157.449 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -75.500 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -987.614217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.614217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.614217 (E_RNA) where: Base-Base interactions energy: -488.556 where: short stacking energy: -267.181 Base-Backbone interact. energy: 1.021 local terms energy: -500.079721 where: bonds (distance) C4'-P energy: -157.468 bonds (distance) P-C4' energy: -149.497 flat angles C4'-P-C4' energy: -128.577 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: 3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -773.769540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.769540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.769540 (E_RNA) where: Base-Base interactions energy: -316.437 where: short stacking energy: -231.004 Base-Backbone interact. energy: 6.421 local terms energy: -463.753632 where: bonds (distance) C4'-P energy: -133.425 bonds (distance) P-C4' energy: -167.911 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: 8.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3124.123218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.123218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.123218 (E_RNA) where: Base-Base interactions energy: -2108.686 where: short stacking energy: -929.286 Base-Backbone interact. energy: -1.365 local terms energy: -1014.072064 where: bonds (distance) C4'-P energy: -193.165 bonds (distance) P-C4' energy: -190.403 flat angles C4'-P-C4' energy: -213.813 flat angles P-C4'-P energy: -136.581 tors. eta vs tors. theta energy: -280.109 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: 336 Temperature: 0.950000 Total energy: -3016.309013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.309013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.309013 (E_RNA) where: Base-Base interactions energy: -2080.024 where: short stacking energy: -931.292 Base-Backbone interact. energy: 3.562 local terms energy: -939.846542 where: bonds (distance) C4'-P energy: -155.508 bonds (distance) P-C4' energy: -172.297 flat angles C4'-P-C4' energy: -211.346 flat angles P-C4'-P energy: -134.270 tors. eta vs tors. theta energy: -266.426 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: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2837.938670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.938670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.938670 (E_RNA) where: Base-Base interactions energy: -1930.823 where: short stacking energy: -851.916 Base-Backbone interact. energy: -1.829 local terms energy: -905.286641 where: bonds (distance) C4'-P energy: -159.233 bonds (distance) P-C4' energy: -168.265 flat angles C4'-P-C4' energy: -204.682 flat angles P-C4'-P energy: -131.613 tors. eta vs tors. theta energy: -241.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2633.975099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.975099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.975099 (E_RNA) where: Base-Base interactions energy: -1747.546 where: short stacking energy: -774.997 Base-Backbone interact. energy: -0.649 local terms energy: -885.779735 where: bonds (distance) C4'-P energy: -163.786 bonds (distance) P-C4' energy: -169.409 flat angles C4'-P-C4' energy: -173.990 flat angles P-C4'-P energy: -134.105 tors. eta vs tors. theta energy: -244.490 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: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2547.545689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.545689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.545689 (E_RNA) where: Base-Base interactions energy: -1718.850 where: short stacking energy: -730.582 Base-Backbone interact. energy: 1.198 local terms energy: -829.894034 where: bonds (distance) C4'-P energy: -161.318 bonds (distance) P-C4' energy: -167.892 flat angles C4'-P-C4' energy: -179.719 flat angles P-C4'-P energy: -106.626 tors. eta vs tors. theta energy: -214.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2258.560915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.560915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.560915 (E_RNA) where: Base-Base interactions energy: -1485.823 where: short stacking energy: -663.105 Base-Backbone interact. energy: -0.782 local terms energy: -771.955968 where: bonds (distance) C4'-P energy: -156.322 bonds (distance) P-C4' energy: -177.715 flat angles C4'-P-C4' energy: -173.590 flat angles P-C4'-P energy: -102.743 tors. eta vs tors. theta energy: -161.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1709.387862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.387862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.387862 (E_RNA) where: Base-Base interactions energy: -1069.319 where: short stacking energy: -495.148 Base-Backbone interact. energy: -3.122 local terms energy: -636.946677 where: bonds (distance) C4'-P energy: -173.082 bonds (distance) P-C4' energy: -120.735 flat angles C4'-P-C4' energy: -150.257 flat angles P-C4'-P energy: -110.215 tors. eta vs tors. theta energy: -82.658 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: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1462.652525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.652525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.652525 (E_RNA) where: Base-Base interactions energy: -876.438 where: short stacking energy: -413.522 Base-Backbone interact. energy: 1.305 local terms energy: -587.519204 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -140.836 flat angles C4'-P-C4' energy: -170.823 flat angles P-C4'-P energy: -82.732 tors. eta vs tors. theta energy: -61.723 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: 336 Temperature: 1.300000 Total energy: -930.611958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.611958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.611958 (E_RNA) where: Base-Base interactions energy: -420.082 where: short stacking energy: -246.569 Base-Backbone interact. energy: 4.639 local terms energy: -515.168643 where: bonds (distance) C4'-P energy: -146.383 bonds (distance) P-C4' energy: -164.414 flat angles C4'-P-C4' energy: -132.400 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -14.720 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: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -752.184093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.184093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.184093 (E_RNA) where: Base-Base interactions energy: -278.601 where: short stacking energy: -207.705 Base-Backbone interact. energy: -2.344 local terms energy: -471.239433 where: bonds (distance) C4'-P energy: -126.651 bonds (distance) P-C4' energy: -144.499 flat angles C4'-P-C4' energy: -123.173 flat angles P-C4'-P energy: -91.707 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: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3078.932768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.932768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.932768 (E_RNA) where: Base-Base interactions energy: -2093.387 where: short stacking energy: -931.698 Base-Backbone interact. energy: -3.796 local terms energy: -981.750251 where: bonds (distance) C4'-P energy: -182.782 bonds (distance) P-C4' energy: -183.301 flat angles C4'-P-C4' energy: -198.283 flat angles P-C4'-P energy: -124.957 tors. eta vs tors. theta energy: -292.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -3039.225956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.225956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.225956 (E_RNA) where: Base-Base interactions energy: -2085.155 where: short stacking energy: -900.075 Base-Backbone interact. energy: -5.710 local terms energy: -948.361380 where: bonds (distance) C4'-P energy: -171.843 bonds (distance) P-C4' energy: -176.985 flat angles C4'-P-C4' energy: -209.656 flat angles P-C4'-P energy: -132.819 tors. eta vs tors. theta energy: -257.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2820.291245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.291245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.291245 (E_RNA) where: Base-Base interactions energy: -1900.497 where: short stacking energy: -854.244 Base-Backbone interact. energy: -5.636 local terms energy: -914.158683 where: bonds (distance) C4'-P energy: -170.002 bonds (distance) P-C4' energy: -203.524 flat angles C4'-P-C4' energy: -183.298 flat angles P-C4'-P energy: -129.292 tors. eta vs tors. theta energy: -228.043 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2636.029171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.029171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.029171 (E_RNA) where: Base-Base interactions energy: -1772.912 where: short stacking energy: -792.445 Base-Backbone interact. energy: 1.096 local terms energy: -864.214036 where: bonds (distance) C4'-P energy: -148.579 bonds (distance) P-C4' energy: -166.937 flat angles C4'-P-C4' energy: -198.441 flat angles P-C4'-P energy: -110.446 tors. eta vs tors. theta energy: -239.812 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: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2587.391337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.391337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.391337 (E_RNA) where: Base-Base interactions energy: -1720.171 where: short stacking energy: -764.638 Base-Backbone interact. energy: -3.935 local terms energy: -863.285377 where: bonds (distance) C4'-P energy: -162.179 bonds (distance) P-C4' energy: -162.506 flat angles C4'-P-C4' energy: -193.005 flat angles P-C4'-P energy: -108.469 tors. eta vs tors. theta energy: -237.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2290.584239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.584239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.584239 (E_RNA) where: Base-Base interactions energy: -1501.174 where: short stacking energy: -685.407 Base-Backbone interact. energy: 0.601 local terms energy: -790.011013 where: bonds (distance) C4'-P energy: -142.463 bonds (distance) P-C4' energy: -169.205 flat angles C4'-P-C4' energy: -172.961 flat angles P-C4'-P energy: -107.060 tors. eta vs tors. theta energy: -198.322 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: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1731.443438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.443438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.443438 (E_RNA) where: Base-Base interactions energy: -1031.219 where: short stacking energy: -486.229 Base-Backbone interact. energy: -0.284 local terms energy: -699.940438 where: bonds (distance) C4'-P energy: -148.155 bonds (distance) P-C4' energy: -167.419 flat angles C4'-P-C4' energy: -173.222 flat angles P-C4'-P energy: -97.230 tors. eta vs tors. theta energy: -113.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1464.099922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.099922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.099922 (E_RNA) where: Base-Base interactions energy: -819.170 where: short stacking energy: -397.263 Base-Backbone interact. energy: -4.060 local terms energy: -640.870112 where: bonds (distance) C4'-P energy: -140.266 bonds (distance) P-C4' energy: -172.686 flat angles C4'-P-C4' energy: -170.383 flat angles P-C4'-P energy: -80.995 tors. eta vs tors. theta energy: -76.541 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: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -926.150528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.150528 (E_RNA) where: Base-Base interactions energy: -434.719 where: short stacking energy: -263.147 Base-Backbone interact. energy: 1.178 local terms energy: -492.609532 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -144.833 flat angles C4'-P-C4' energy: -124.909 flat angles P-C4'-P energy: -81.088 tors. eta vs tors. theta energy: -0.262 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: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -749.927592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.927592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.927592 (E_RNA) where: Base-Base interactions energy: -310.360 where: short stacking energy: -201.738 Base-Backbone interact. energy: 9.486 local terms energy: -449.053558 where: bonds (distance) C4'-P energy: -145.342 bonds (distance) P-C4' energy: -155.432 flat angles C4'-P-C4' energy: -123.912 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: 42.405 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: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3097.931028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.931028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.931028 (E_RNA) where: Base-Base interactions energy: -2129.245 where: short stacking energy: -906.160 Base-Backbone interact. energy: -2.786 local terms energy: -965.899736 where: bonds (distance) C4'-P energy: -185.040 bonds (distance) P-C4' energy: -189.522 flat angles C4'-P-C4' energy: -196.732 flat angles P-C4'-P energy: -118.363 tors. eta vs tors. theta energy: -276.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -3032.771009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.771009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.771009 (E_RNA) where: Base-Base interactions energy: -2071.480 where: short stacking energy: -875.490 Base-Backbone interact. energy: -4.931 local terms energy: -956.359811 where: bonds (distance) C4'-P energy: -185.329 bonds (distance) P-C4' energy: -179.795 flat angles C4'-P-C4' energy: -210.519 flat angles P-C4'-P energy: -135.162 tors. eta vs tors. theta energy: -245.554 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: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2852.206123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.206123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.206123 (E_RNA) where: Base-Base interactions energy: -1951.996 where: short stacking energy: -815.990 Base-Backbone interact. energy: -3.741 local terms energy: -896.469125 where: bonds (distance) C4'-P energy: -172.552 bonds (distance) P-C4' energy: -167.471 flat angles C4'-P-C4' energy: -192.412 flat angles P-C4'-P energy: -130.639 tors. eta vs tors. theta energy: -233.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2614.940871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.940871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.940871 (E_RNA) where: Base-Base interactions energy: -1754.520 where: short stacking energy: -756.087 Base-Backbone interact. energy: -4.408 local terms energy: -856.012837 where: bonds (distance) C4'-P energy: -159.807 bonds (distance) P-C4' energy: -159.209 flat angles C4'-P-C4' energy: -181.135 flat angles P-C4'-P energy: -129.526 tors. eta vs tors. theta energy: -226.336 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: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2587.363159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.363159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.363159 (E_RNA) where: Base-Base interactions energy: -1757.899 where: short stacking energy: -734.210 Base-Backbone interact. energy: 0.248 local terms energy: -829.712226 where: bonds (distance) C4'-P energy: -132.194 bonds (distance) P-C4' energy: -179.027 flat angles C4'-P-C4' energy: -187.871 flat angles P-C4'-P energy: -125.226 tors. eta vs tors. theta energy: -205.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2314.597171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.597171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.597171 (E_RNA) where: Base-Base interactions energy: -1500.084 where: short stacking energy: -676.429 Base-Backbone interact. energy: -3.729 local terms energy: -810.783489 where: bonds (distance) C4'-P energy: -164.806 bonds (distance) P-C4' energy: -167.512 flat angles C4'-P-C4' energy: -173.108 flat angles P-C4'-P energy: -102.446 tors. eta vs tors. theta energy: -202.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1713.185296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.185296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.185296 (E_RNA) where: Base-Base interactions energy: -1082.586 where: short stacking energy: -486.324 Base-Backbone interact. energy: -2.452 local terms energy: -628.147366 where: bonds (distance) C4'-P energy: -166.571 bonds (distance) P-C4' energy: -142.700 flat angles C4'-P-C4' energy: -159.866 flat angles P-C4'-P energy: -71.134 tors. eta vs tors. theta energy: -87.876 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: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1468.967015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.967015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.967015 (E_RNA) where: Base-Base interactions energy: -888.368 where: short stacking energy: -434.591 Base-Backbone interact. energy: -0.230 local terms energy: -580.369054 where: bonds (distance) C4'-P energy: -152.431 bonds (distance) P-C4' energy: -150.470 flat angles C4'-P-C4' energy: -118.820 flat angles P-C4'-P energy: -96.459 tors. eta vs tors. theta energy: -62.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -957.597268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.597268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.597268 (E_RNA) where: Base-Base interactions energy: -460.029 where: short stacking energy: -260.794 Base-Backbone interact. energy: -2.324 local terms energy: -495.244543 where: bonds (distance) C4'-P energy: -139.417 bonds (distance) P-C4' energy: -149.497 flat angles C4'-P-C4' energy: -113.755 flat angles P-C4'-P energy: -98.867 tors. eta vs tors. theta energy: 6.292 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: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -747.578897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.578897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.578897 (E_RNA) where: Base-Base interactions energy: -303.880 where: short stacking energy: -201.754 Base-Backbone interact. energy: 0.553 local terms energy: -444.251053 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -166.650 flat angles C4'-P-C4' energy: -107.602 flat angles P-C4'-P energy: -79.653 tors. eta vs tors. theta energy: 33.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3091.517383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.517383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.517383 (E_RNA) where: Base-Base interactions energy: -2110.906 where: short stacking energy: -917.166 Base-Backbone interact. energy: -4.612 local terms energy: -975.999548 where: bonds (distance) C4'-P energy: -178.313 bonds (distance) P-C4' energy: -180.034 flat angles C4'-P-C4' energy: -193.084 flat angles P-C4'-P energy: -144.397 tors. eta vs tors. theta energy: -280.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -3027.678528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.678528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.678528 (E_RNA) where: Base-Base interactions energy: -2093.639 where: short stacking energy: -891.580 Base-Backbone interact. energy: 1.347 local terms energy: -935.386453 where: bonds (distance) C4'-P energy: -173.879 bonds (distance) P-C4' energy: -173.558 flat angles C4'-P-C4' energy: -191.202 flat angles P-C4'-P energy: -135.482 tors. eta vs tors. theta energy: -261.265 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: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2795.600675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.600675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.600675 (E_RNA) where: Base-Base interactions energy: -1880.133 where: short stacking energy: -836.865 Base-Backbone interact. energy: -7.223 local terms energy: -908.243911 where: bonds (distance) C4'-P energy: -166.682 bonds (distance) P-C4' energy: -176.279 flat angles C4'-P-C4' energy: -193.965 flat angles P-C4'-P energy: -130.495 tors. eta vs tors. theta energy: -240.822 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: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2651.643208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.643208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.643208 (E_RNA) where: Base-Base interactions energy: -1779.380 where: short stacking energy: -768.223 Base-Backbone interact. energy: -0.160 local terms energy: -872.102727 where: bonds (distance) C4'-P energy: -167.401 bonds (distance) P-C4' energy: -164.143 flat angles C4'-P-C4' energy: -187.063 flat angles P-C4'-P energy: -118.163 tors. eta vs tors. theta energy: -235.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2497.387632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.387632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.387632 (E_RNA) where: Base-Base interactions energy: -1678.081 where: short stacking energy: -719.373 Base-Backbone interact. energy: 1.110 local terms energy: -820.417393 where: bonds (distance) C4'-P energy: -142.245 bonds (distance) P-C4' energy: -174.420 flat angles C4'-P-C4' energy: -176.619 flat angles P-C4'-P energy: -114.417 tors. eta vs tors. theta energy: -212.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2300.394157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.394157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.394157 (E_RNA) where: Base-Base interactions energy: -1487.207 where: short stacking energy: -672.005 Base-Backbone interact. energy: -1.787 local terms energy: -811.399851 where: bonds (distance) C4'-P energy: -163.498 bonds (distance) P-C4' energy: -156.993 flat angles C4'-P-C4' energy: -184.008 flat angles P-C4'-P energy: -113.281 tors. eta vs tors. theta energy: -193.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1818.870472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.870472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.870472 (E_RNA) where: Base-Base interactions energy: -1159.207 where: short stacking energy: -513.777 Base-Backbone interact. energy: -2.590 local terms energy: -657.073621 where: bonds (distance) C4'-P energy: -158.020 bonds (distance) P-C4' energy: -156.299 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -87.890 tors. eta vs tors. theta energy: -100.743 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: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1353.888759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.888759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.888759 (E_RNA) where: Base-Base interactions energy: -801.021 where: short stacking energy: -421.848 Base-Backbone interact. energy: -0.114 local terms energy: -552.753892 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -160.537 flat angles C4'-P-C4' energy: -142.118 flat angles P-C4'-P energy: -89.481 tors. eta vs tors. theta energy: -42.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -930.980060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.980060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.980060 (E_RNA) where: Base-Base interactions energy: -437.484 where: short stacking energy: -278.162 Base-Backbone interact. energy: 0.041 local terms energy: -493.537411 where: bonds (distance) C4'-P energy: -123.502 bonds (distance) P-C4' energy: -141.907 flat angles C4'-P-C4' energy: -143.779 flat angles P-C4'-P energy: -69.407 tors. eta vs tors. theta energy: -14.944 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: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -740.308591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.308591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.308591 (E_RNA) where: Base-Base interactions energy: -312.777 where: short stacking energy: -194.723 Base-Backbone interact. energy: 0.886 local terms energy: -428.418014 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -157.640 flat angles C4'-P-C4' energy: -123.330 flat angles P-C4'-P energy: -66.085 tors. eta vs tors. theta energy: 42.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3102.168051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.168051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.168051 (E_RNA) where: Base-Base interactions energy: -2103.273 where: short stacking energy: -888.245 Base-Backbone interact. energy: -3.940 local terms energy: -994.955443 where: bonds (distance) C4'-P energy: -183.464 bonds (distance) P-C4' energy: -178.860 flat angles C4'-P-C4' energy: -214.731 flat angles P-C4'-P energy: -140.738 tors. eta vs tors. theta energy: -277.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3070.333729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.333729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.333729 (E_RNA) where: Base-Base interactions energy: -2098.363 where: short stacking energy: -878.230 Base-Backbone interact. energy: -2.165 local terms energy: -969.805664 where: bonds (distance) C4'-P energy: -187.381 bonds (distance) P-C4' energy: -189.364 flat angles C4'-P-C4' energy: -208.498 flat angles P-C4'-P energy: -131.717 tors. eta vs tors. theta energy: -252.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2864.435538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.435538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.435538 (E_RNA) where: Base-Base interactions energy: -1961.448 where: short stacking energy: -859.562 Base-Backbone interact. energy: -1.859 local terms energy: -901.129067 where: bonds (distance) C4'-P energy: -172.986 bonds (distance) P-C4' energy: -174.555 flat angles C4'-P-C4' energy: -191.725 flat angles P-C4'-P energy: -114.155 tors. eta vs tors. theta energy: -247.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2673.039907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.039907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.039907 (E_RNA) where: Base-Base interactions energy: -1792.004 where: short stacking energy: -784.615 Base-Backbone interact. energy: 2.226 local terms energy: -883.262104 where: bonds (distance) C4'-P energy: -142.484 bonds (distance) P-C4' energy: -179.417 flat angles C4'-P-C4' energy: -198.321 flat angles P-C4'-P energy: -122.527 tors. eta vs tors. theta energy: -240.513 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: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2488.907103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.907103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.907103 (E_RNA) where: Base-Base interactions energy: -1678.270 where: short stacking energy: -730.654 Base-Backbone interact. energy: -3.408 local terms energy: -807.228954 where: bonds (distance) C4'-P energy: -155.226 bonds (distance) P-C4' energy: -173.828 flat angles C4'-P-C4' energy: -176.624 flat angles P-C4'-P energy: -105.305 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: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2232.085027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.085027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.085027 (E_RNA) where: Base-Base interactions energy: -1445.693 where: short stacking energy: -644.461 Base-Backbone interact. energy: -0.857 local terms energy: -785.535404 where: bonds (distance) C4'-P energy: -163.027 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -181.996 flat angles P-C4'-P energy: -96.016 tors. eta vs tors. theta energy: -188.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1827.407331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.407331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.407331 (E_RNA) where: Base-Base interactions energy: -1118.665 where: short stacking energy: -492.682 Base-Backbone interact. energy: -2.154 local terms energy: -706.588103 where: bonds (distance) C4'-P energy: -164.774 bonds (distance) P-C4' energy: -149.192 flat angles C4'-P-C4' energy: -180.025 flat angles P-C4'-P energy: -99.569 tors. eta vs tors. theta energy: -113.028 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: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1357.096879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.096879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.096879 (E_RNA) where: Base-Base interactions energy: -762.641 where: short stacking energy: -381.725 Base-Backbone interact. energy: -2.657 local terms energy: -591.798481 where: bonds (distance) C4'-P energy: -141.066 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -135.474 flat angles P-C4'-P energy: -111.364 tors. eta vs tors. theta energy: -69.473 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: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -923.263051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.263051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.263051 (E_RNA) where: Base-Base interactions energy: -412.268 where: short stacking energy: -244.910 Base-Backbone interact. energy: 5.342 local terms energy: -516.337126 where: bonds (distance) C4'-P energy: -139.842 bonds (distance) P-C4' energy: -158.980 flat angles C4'-P-C4' energy: -141.582 flat angles P-C4'-P energy: -76.278 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -752.630245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.630245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.630245 (E_RNA) where: Base-Base interactions energy: -322.658 where: short stacking energy: -200.425 Base-Backbone interact. energy: -3.298 local terms energy: -426.673838 where: bonds (distance) C4'-P energy: -127.383 bonds (distance) P-C4' energy: -147.707 flat angles C4'-P-C4' energy: -133.366 flat angles P-C4'-P energy: -64.140 tors. eta vs tors. theta energy: 45.922 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: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3121.491425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.491425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.491425 (E_RNA) where: Base-Base interactions energy: -2122.936 where: short stacking energy: -924.525 Base-Backbone interact. energy: -4.227 local terms energy: -994.328616 where: bonds (distance) C4'-P energy: -188.315 bonds (distance) P-C4' energy: -186.426 flat angles C4'-P-C4' energy: -197.687 flat angles P-C4'-P energy: -142.182 tors. eta vs tors. theta energy: -279.720 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: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3032.647199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.647199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.647199 (E_RNA) where: Base-Base interactions energy: -2074.805 where: short stacking energy: -888.773 Base-Backbone interact. energy: -1.555 local terms energy: -956.287717 where: bonds (distance) C4'-P energy: -178.185 bonds (distance) P-C4' energy: -183.576 flat angles C4'-P-C4' energy: -198.075 flat angles P-C4'-P energy: -135.002 tors. eta vs tors. theta energy: -261.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2872.491950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.491950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.491950 (E_RNA) where: Base-Base interactions energy: -1983.064 where: short stacking energy: -876.933 Base-Backbone interact. energy: -4.573 local terms energy: -884.854891 where: bonds (distance) C4'-P energy: -164.960 bonds (distance) P-C4' energy: -165.570 flat angles C4'-P-C4' energy: -184.348 flat angles P-C4'-P energy: -108.321 tors. eta vs tors. theta energy: -261.657 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: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2662.730656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.730656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.730656 (E_RNA) where: Base-Base interactions energy: -1787.528 where: short stacking energy: -788.503 Base-Backbone interact. energy: -3.474 local terms energy: -871.728859 where: bonds (distance) C4'-P energy: -170.688 bonds (distance) P-C4' energy: -158.944 flat angles C4'-P-C4' energy: -199.376 flat angles P-C4'-P energy: -114.798 tors. eta vs tors. theta energy: -227.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2426.896223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.896223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.896223 (E_RNA) where: Base-Base interactions energy: -1590.394 where: short stacking energy: -711.802 Base-Backbone interact. energy: -1.796 local terms energy: -834.706237 where: bonds (distance) C4'-P energy: -167.210 bonds (distance) P-C4' energy: -171.454 flat angles C4'-P-C4' energy: -180.173 flat angles P-C4'-P energy: -107.943 tors. eta vs tors. theta energy: -207.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2212.166326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.166326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.166326 (E_RNA) where: Base-Base interactions energy: -1444.915 where: short stacking energy: -647.103 Base-Backbone interact. energy: -2.794 local terms energy: -764.457465 where: bonds (distance) C4'-P energy: -159.694 bonds (distance) P-C4' energy: -165.088 flat angles C4'-P-C4' energy: -161.209 flat angles P-C4'-P energy: -98.347 tors. eta vs tors. theta energy: -180.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1769.804772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.804772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.804772 (E_RNA) where: Base-Base interactions energy: -1079.928 where: short stacking energy: -495.636 Base-Backbone interact. energy: 9.308 local terms energy: -699.185133 where: bonds (distance) C4'-P energy: -166.417 bonds (distance) P-C4' energy: -156.361 flat angles C4'-P-C4' energy: -163.883 flat angles P-C4'-P energy: -96.948 tors. eta vs tors. theta energy: -115.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1457.134129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.134129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.134129 (E_RNA) where: Base-Base interactions energy: -843.243 where: short stacking energy: -421.558 Base-Backbone interact. energy: 1.035 local terms energy: -614.926036 where: bonds (distance) C4'-P energy: -132.455 bonds (distance) P-C4' energy: -156.618 flat angles C4'-P-C4' energy: -167.484 flat angles P-C4'-P energy: -86.635 tors. eta vs tors. theta energy: -71.734 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: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1047.047259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.047259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.047259 (E_RNA) where: Base-Base interactions energy: -508.421 where: short stacking energy: -295.912 Base-Backbone interact. energy: 6.384 local terms energy: -545.010474 where: bonds (distance) C4'-P energy: -137.638 bonds (distance) P-C4' energy: -156.482 flat angles C4'-P-C4' energy: -140.068 flat angles P-C4'-P energy: -81.496 tors. eta vs tors. theta energy: -29.327 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: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -813.501218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.501218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.501218 (E_RNA) where: Base-Base interactions energy: -357.739 where: short stacking energy: -226.365 Base-Backbone interact. energy: -3.910 local terms energy: -451.852226 where: bonds (distance) C4'-P energy: -120.146 bonds (distance) P-C4' energy: -142.120 flat angles C4'-P-C4' energy: -121.030 flat angles P-C4'-P energy: -87.277 tors. eta vs tors. theta energy: 18.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3119.149291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.149291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.149291 (E_RNA) where: Base-Base interactions energy: -2134.722 where: short stacking energy: -916.641 Base-Backbone interact. energy: -1.318 local terms energy: -983.109616 where: bonds (distance) C4'-P energy: -181.162 bonds (distance) P-C4' energy: -190.573 flat angles C4'-P-C4' energy: -205.647 flat angles P-C4'-P energy: -127.327 tors. eta vs tors. theta energy: -278.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -3022.457566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.457566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.457566 (E_RNA) where: Base-Base interactions energy: -2081.640 where: short stacking energy: -894.965 Base-Backbone interact. energy: -3.674 local terms energy: -937.142813 where: bonds (distance) C4'-P energy: -158.125 bonds (distance) P-C4' energy: -192.844 flat angles C4'-P-C4' energy: -205.834 flat angles P-C4'-P energy: -132.170 tors. eta vs tors. theta energy: -248.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2833.347523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.347523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.347523 (E_RNA) where: Base-Base interactions energy: -1913.045 where: short stacking energy: -823.142 Base-Backbone interact. energy: -2.574 local terms energy: -917.727972 where: bonds (distance) C4'-P energy: -175.915 bonds (distance) P-C4' energy: -180.402 flat angles C4'-P-C4' energy: -210.103 flat angles P-C4'-P energy: -101.117 tors. eta vs tors. theta energy: -250.192 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: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2653.815314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.815314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.815314 (E_RNA) where: Base-Base interactions energy: -1789.103 where: short stacking energy: -787.428 Base-Backbone interact. energy: -1.001 local terms energy: -863.711759 where: bonds (distance) C4'-P energy: -164.473 bonds (distance) P-C4' energy: -162.980 flat angles C4'-P-C4' energy: -198.026 flat angles P-C4'-P energy: -111.077 tors. eta vs tors. theta energy: -227.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2415.877982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.877982 (E_RNA) where: Base-Base interactions energy: -1625.058 where: short stacking energy: -731.228 Base-Backbone interact. energy: -3.500 local terms energy: -787.320281 where: bonds (distance) C4'-P energy: -157.434 bonds (distance) P-C4' energy: -142.293 flat angles C4'-P-C4' energy: -176.852 flat angles P-C4'-P energy: -120.119 tors. eta vs tors. theta energy: -190.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2219.808517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.808517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.808517 (E_RNA) where: Base-Base interactions energy: -1434.647 where: short stacking energy: -638.139 Base-Backbone interact. energy: -2.420 local terms energy: -782.741988 where: bonds (distance) C4'-P energy: -142.313 bonds (distance) P-C4' energy: -176.472 flat angles C4'-P-C4' energy: -166.839 flat angles P-C4'-P energy: -122.413 tors. eta vs tors. theta energy: -174.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1728.457498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.457498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.457498 (E_RNA) where: Base-Base interactions energy: -1028.820 where: short stacking energy: -475.800 Base-Backbone interact. energy: -1.878 local terms energy: -697.759917 where: bonds (distance) C4'-P energy: -170.788 bonds (distance) P-C4' energy: -163.778 flat angles C4'-P-C4' energy: -164.508 flat angles P-C4'-P energy: -92.056 tors. eta vs tors. theta energy: -106.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1459.940669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.940669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.940669 (E_RNA) where: Base-Base interactions energy: -860.481 where: short stacking energy: -439.074 Base-Backbone interact. energy: -2.936 local terms energy: -596.523086 where: bonds (distance) C4'-P energy: -130.603 bonds (distance) P-C4' energy: -141.922 flat angles C4'-P-C4' energy: -146.677 flat angles P-C4'-P energy: -89.261 tors. eta vs tors. theta energy: -88.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -960.998282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.998282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.998282 (E_RNA) where: Base-Base interactions energy: -461.579 where: short stacking energy: -295.752 Base-Backbone interact. energy: 3.444 local terms energy: -502.863029 where: bonds (distance) C4'-P energy: -137.670 bonds (distance) P-C4' energy: -143.607 flat angles C4'-P-C4' energy: -144.597 flat angles P-C4'-P energy: -79.067 tors. eta vs tors. theta energy: 2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -784.278287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.278287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.278287 (E_RNA) where: Base-Base interactions energy: -320.915 where: short stacking energy: -218.713 Base-Backbone interact. energy: 1.815 local terms energy: -465.178062 where: bonds (distance) C4'-P energy: -144.506 bonds (distance) P-C4' energy: -141.362 flat angles C4'-P-C4' energy: -124.623 flat angles P-C4'-P energy: -87.233 tors. eta vs tors. theta energy: 32.546 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: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3127.351855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.351855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.351855 (E_RNA) where: Base-Base interactions energy: -2112.529 where: short stacking energy: -914.975 Base-Backbone interact. energy: -1.313 local terms energy: -1013.510589 where: bonds (distance) C4'-P energy: -187.573 bonds (distance) P-C4' energy: -194.760 flat angles C4'-P-C4' energy: -215.701 flat angles P-C4'-P energy: -139.341 tors. eta vs tors. theta energy: -276.135 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: 343 Temperature: 0.950000 Total energy: -2985.130298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.130298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.130298 (E_RNA) where: Base-Base interactions energy: -2022.830 where: short stacking energy: -864.951 Base-Backbone interact. energy: -1.486 local terms energy: -960.814570 where: bonds (distance) C4'-P energy: -188.307 bonds (distance) P-C4' energy: -176.741 flat angles C4'-P-C4' energy: -207.809 flat angles P-C4'-P energy: -142.492 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: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2833.316217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.316217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.316217 (E_RNA) where: Base-Base interactions energy: -1936.024 where: short stacking energy: -850.177 Base-Backbone interact. energy: -1.402 local terms energy: -895.890369 where: bonds (distance) C4'-P energy: -179.273 bonds (distance) P-C4' energy: -179.729 flat angles C4'-P-C4' energy: -184.446 flat angles P-C4'-P energy: -106.910 tors. eta vs tors. theta energy: -245.533 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: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2688.061986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.061986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.061986 (E_RNA) where: Base-Base interactions energy: -1827.214 where: short stacking energy: -781.621 Base-Backbone interact. energy: -0.121 local terms energy: -860.727503 where: bonds (distance) C4'-P energy: -156.748 bonds (distance) P-C4' energy: -183.010 flat angles C4'-P-C4' energy: -194.473 flat angles P-C4'-P energy: -114.092 tors. eta vs tors. theta energy: -212.404 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: 343 Temperature: 1.100000 Total energy: -2460.422742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.422742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.422742 (E_RNA) where: Base-Base interactions energy: -1596.977 where: short stacking energy: -707.331 Base-Backbone interact. energy: -4.097 local terms energy: -859.349041 where: bonds (distance) C4'-P energy: -160.694 bonds (distance) P-C4' energy: -157.048 flat angles C4'-P-C4' energy: -194.052 flat angles P-C4'-P energy: -133.982 tors. eta vs tors. theta energy: -213.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2199.768983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.768983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.768983 (E_RNA) where: Base-Base interactions energy: -1380.442 where: short stacking energy: -615.583 Base-Backbone interact. energy: -4.959 local terms energy: -814.367345 where: bonds (distance) C4'-P energy: -172.333 bonds (distance) P-C4' energy: -176.387 flat angles C4'-P-C4' energy: -185.048 flat angles P-C4'-P energy: -117.807 tors. eta vs tors. theta energy: -162.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1637.702124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.702124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.702124 (E_RNA) where: Base-Base interactions energy: -983.353 where: short stacking energy: -474.212 Base-Backbone interact. energy: 4.658 local terms energy: -659.007507 where: bonds (distance) C4'-P energy: -161.202 bonds (distance) P-C4' energy: -151.818 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -101.034 tors. eta vs tors. theta energy: -88.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1428.086152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.086152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.086152 (E_RNA) where: Base-Base interactions energy: -855.818 where: short stacking energy: -417.365 Base-Backbone interact. energy: 1.277 local terms energy: -573.545180 where: bonds (distance) C4'-P energy: -154.634 bonds (distance) P-C4' energy: -119.015 flat angles C4'-P-C4' energy: -144.367 flat angles P-C4'-P energy: -84.974 tors. eta vs tors. theta energy: -70.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -938.288305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.288305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.288305 (E_RNA) where: Base-Base interactions energy: -438.383 where: short stacking energy: -274.912 Base-Backbone interact. energy: 12.231 local terms energy: -512.136902 where: bonds (distance) C4'-P energy: -159.683 bonds (distance) P-C4' energy: -152.218 flat angles C4'-P-C4' energy: -141.650 flat angles P-C4'-P energy: -44.132 tors. eta vs tors. theta energy: -14.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -746.089892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.089892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.089892 (E_RNA) where: Base-Base interactions energy: -327.142 where: short stacking energy: -190.880 Base-Backbone interact. energy: 6.925 local terms energy: -425.873422 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -117.946 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: 45.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3134.453702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.453702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.453702 (E_RNA) where: Base-Base interactions energy: -2143.795 where: short stacking energy: -916.426 Base-Backbone interact. energy: -1.901 local terms energy: -988.757135 where: bonds (distance) C4'-P energy: -178.922 bonds (distance) P-C4' energy: -177.191 flat angles C4'-P-C4' energy: -218.369 flat angles P-C4'-P energy: -134.309 tors. eta vs tors. theta energy: -279.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2973.422201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.422201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.422201 (E_RNA) where: Base-Base interactions energy: -2015.960 where: short stacking energy: -833.963 Base-Backbone interact. energy: -3.993 local terms energy: -953.469302 where: bonds (distance) C4'-P energy: -175.302 bonds (distance) P-C4' energy: -177.927 flat angles C4'-P-C4' energy: -208.123 flat angles P-C4'-P energy: -152.025 tors. eta vs tors. theta energy: -240.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2842.815035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.815035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.815035 (E_RNA) where: Base-Base interactions energy: -1935.146 where: short stacking energy: -834.859 Base-Backbone interact. energy: -2.565 local terms energy: -905.103858 where: bonds (distance) C4'-P energy: -170.341 bonds (distance) P-C4' energy: -172.006 flat angles C4'-P-C4' energy: -204.620 flat angles P-C4'-P energy: -130.575 tors. eta vs tors. theta energy: -227.563 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: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2712.436720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.436720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.436720 (E_RNA) where: Base-Base interactions energy: -1822.129 where: short stacking energy: -803.281 Base-Backbone interact. energy: -0.675 local terms energy: -889.632837 where: bonds (distance) C4'-P energy: -168.919 bonds (distance) P-C4' energy: -169.801 flat angles C4'-P-C4' energy: -187.271 flat angles P-C4'-P energy: -127.230 tors. eta vs tors. theta energy: -236.412 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: 344 Temperature: 1.100000 Total energy: -2493.902682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.902682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.902682 (E_RNA) where: Base-Base interactions energy: -1656.474 where: short stacking energy: -756.006 Base-Backbone interact. energy: -0.655 local terms energy: -836.773805 where: bonds (distance) C4'-P energy: -164.660 bonds (distance) P-C4' energy: -144.524 flat angles C4'-P-C4' energy: -186.908 flat angles P-C4'-P energy: -107.206 tors. eta vs tors. theta energy: -233.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2298.653223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.653223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.653223 (E_RNA) where: Base-Base interactions energy: -1494.423 where: short stacking energy: -662.932 Base-Backbone interact. energy: -1.832 local terms energy: -802.398263 where: bonds (distance) C4'-P energy: -170.593 bonds (distance) P-C4' energy: -160.773 flat angles C4'-P-C4' energy: -184.948 flat angles P-C4'-P energy: -103.211 tors. eta vs tors. theta energy: -182.873 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: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1627.385046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.385046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.385046 (E_RNA) where: Base-Base interactions energy: -944.332 where: short stacking energy: -455.219 Base-Backbone interact. energy: 0.206 local terms energy: -683.258792 where: bonds (distance) C4'-P energy: -135.076 bonds (distance) P-C4' energy: -160.016 flat angles C4'-P-C4' energy: -164.352 flat angles P-C4'-P energy: -117.836 tors. eta vs tors. theta energy: -105.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1390.761003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.761003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.761003 (E_RNA) where: Base-Base interactions energy: -788.263 where: short stacking energy: -388.929 Base-Backbone interact. energy: 3.647 local terms energy: -606.144703 where: bonds (distance) C4'-P energy: -175.088 bonds (distance) P-C4' energy: -143.258 flat angles C4'-P-C4' energy: -144.258 flat angles P-C4'-P energy: -73.525 tors. eta vs tors. theta energy: -70.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1026.430526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.430526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.430526 (E_RNA) where: Base-Base interactions energy: -496.237 where: short stacking energy: -282.322 Base-Backbone interact. energy: 1.147 local terms energy: -531.340385 where: bonds (distance) C4'-P energy: -133.935 bonds (distance) P-C4' energy: -150.609 flat angles C4'-P-C4' energy: -124.945 flat angles P-C4'-P energy: -98.957 tors. eta vs tors. theta energy: -22.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -748.184372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.184372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.184372 (E_RNA) where: Base-Base interactions energy: -311.872 where: short stacking energy: -196.037 Base-Backbone interact. energy: 1.448 local terms energy: -437.760314 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -146.521 flat angles C4'-P-C4' energy: -109.600 flat angles P-C4'-P energy: -76.344 tors. eta vs tors. theta energy: 25.530 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: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3148.703026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.703026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.703026 (E_RNA) where: Base-Base interactions energy: -2135.609 where: short stacking energy: -924.061 Base-Backbone interact. energy: -2.566 local terms energy: -1010.528235 where: bonds (distance) C4'-P energy: -192.219 bonds (distance) P-C4' energy: -183.501 flat angles C4'-P-C4' energy: -211.456 flat angles P-C4'-P energy: -138.778 tors. eta vs tors. theta energy: -284.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3019.842120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.842120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.842120 (E_RNA) where: Base-Base interactions energy: -2076.157 where: short stacking energy: -868.782 Base-Backbone interact. energy: 4.068 local terms energy: -947.752359 where: bonds (distance) C4'-P energy: -168.047 bonds (distance) P-C4' energy: -190.986 flat angles C4'-P-C4' energy: -206.318 flat angles P-C4'-P energy: -129.223 tors. eta vs tors. theta energy: -253.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2832.344685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.344685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.344685 (E_RNA) where: Base-Base interactions energy: -1928.447 where: short stacking energy: -828.579 Base-Backbone interact. energy: -5.005 local terms energy: -898.892425 where: bonds (distance) C4'-P energy: -170.272 bonds (distance) P-C4' energy: -165.205 flat angles C4'-P-C4' energy: -196.479 flat angles P-C4'-P energy: -122.386 tors. eta vs tors. theta energy: -244.552 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: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2648.192541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.192541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.192541 (E_RNA) where: Base-Base interactions energy: -1772.231 where: short stacking energy: -775.389 Base-Backbone interact. energy: 2.081 local terms energy: -878.042906 where: bonds (distance) C4'-P energy: -150.055 bonds (distance) P-C4' energy: -189.295 flat angles C4'-P-C4' energy: -193.276 flat angles P-C4'-P energy: -127.901 tors. eta vs tors. theta energy: -217.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2460.293048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.293048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.293048 (E_RNA) where: Base-Base interactions energy: -1642.999 where: short stacking energy: -723.809 Base-Backbone interact. energy: 4.740 local terms energy: -822.034018 where: bonds (distance) C4'-P energy: -143.640 bonds (distance) P-C4' energy: -166.358 flat angles C4'-P-C4' energy: -183.001 flat angles P-C4'-P energy: -115.280 tors. eta vs tors. theta energy: -213.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2254.819975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.819975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.819975 (E_RNA) where: Base-Base interactions energy: -1481.970 where: short stacking energy: -684.604 Base-Backbone interact. energy: 2.280 local terms energy: -775.130319 where: bonds (distance) C4'-P energy: -159.335 bonds (distance) P-C4' energy: -154.778 flat angles C4'-P-C4' energy: -169.965 flat angles P-C4'-P energy: -104.222 tors. eta vs tors. theta energy: -186.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1627.204041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.204041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.204041 (E_RNA) where: Base-Base interactions energy: -1007.920 where: short stacking energy: -460.455 Base-Backbone interact. energy: 9.120 local terms energy: -628.403972 where: bonds (distance) C4'-P energy: -151.515 bonds (distance) P-C4' energy: -149.414 flat angles C4'-P-C4' energy: -164.884 flat angles P-C4'-P energy: -81.340 tors. eta vs tors. theta energy: -81.251 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: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1460.787713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.787713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.787713 (E_RNA) where: Base-Base interactions energy: -848.471 where: short stacking energy: -416.653 Base-Backbone interact. energy: 1.413 local terms energy: -613.729243 where: bonds (distance) C4'-P energy: -134.157 bonds (distance) P-C4' energy: -164.432 flat angles C4'-P-C4' energy: -158.137 flat angles P-C4'-P energy: -79.722 tors. eta vs tors. theta energy: -77.282 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: 345 Temperature: 1.300000 Total energy: -1079.447257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.447257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.447257 (E_RNA) where: Base-Base interactions energy: -569.219 where: short stacking energy: -288.262 Base-Backbone interact. energy: -2.214 local terms energy: -508.013916 where: bonds (distance) C4'-P energy: -125.208 bonds (distance) P-C4' energy: -172.145 flat angles C4'-P-C4' energy: -133.566 flat angles P-C4'-P energy: -72.228 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -752.764807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.764807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.764807 (E_RNA) where: Base-Base interactions energy: -327.564 where: short stacking energy: -242.272 Base-Backbone interact. energy: 3.904 local terms energy: -429.105183 where: bonds (distance) C4'-P energy: -126.348 bonds (distance) P-C4' energy: -156.420 flat angles C4'-P-C4' energy: -118.546 flat angles P-C4'-P energy: -59.492 tors. eta vs tors. theta energy: 31.701 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: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3120.680432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.680432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.680432 (E_RNA) where: Base-Base interactions energy: -2146.179 where: short stacking energy: -940.875 Base-Backbone interact. energy: 0.206 local terms energy: -974.707373 where: bonds (distance) C4'-P energy: -170.250 bonds (distance) P-C4' energy: -177.596 flat angles C4'-P-C4' energy: -207.787 flat angles P-C4'-P energy: -139.748 tors. eta vs tors. theta energy: -279.327 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: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3037.956824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.956824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.956824 (E_RNA) where: Base-Base interactions energy: -2036.890 where: short stacking energy: -899.808 Base-Backbone interact. energy: -4.810 local terms energy: -996.256666 where: bonds (distance) C4'-P energy: -197.796 bonds (distance) P-C4' energy: -185.142 flat angles C4'-P-C4' energy: -204.052 flat angles P-C4'-P energy: -136.874 tors. eta vs tors. theta energy: -272.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2856.548174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.548174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.548174 (E_RNA) where: Base-Base interactions energy: -1934.935 where: short stacking energy: -847.505 Base-Backbone interact. energy: -3.536 local terms energy: -918.077479 where: bonds (distance) C4'-P energy: -165.265 bonds (distance) P-C4' energy: -187.236 flat angles C4'-P-C4' energy: -185.846 flat angles P-C4'-P energy: -118.618 tors. eta vs tors. theta energy: -261.112 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: 4, replica: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2608.710413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.710413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.710413 (E_RNA) where: Base-Base interactions energy: -1751.457 where: short stacking energy: -764.749 Base-Backbone interact. energy: -4.807 local terms energy: -852.446831 where: bonds (distance) C4'-P energy: -168.734 bonds (distance) P-C4' energy: -148.221 flat angles C4'-P-C4' energy: -193.826 flat angles P-C4'-P energy: -128.435 tors. eta vs tors. theta energy: -213.230 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: 346 Temperature: 1.100000 Total energy: -2495.486663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.486663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.486663 (E_RNA) where: Base-Base interactions energy: -1686.092 where: short stacking energy: -727.299 Base-Backbone interact. energy: -0.957 local terms energy: -808.438648 where: bonds (distance) C4'-P energy: -160.391 bonds (distance) P-C4' energy: -158.660 flat angles C4'-P-C4' energy: -177.902 flat angles P-C4'-P energy: -96.299 tors. eta vs tors. theta energy: -215.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2204.295207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.295207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.295207 (E_RNA) where: Base-Base interactions energy: -1435.363 where: short stacking energy: -640.899 Base-Backbone interact. energy: 1.643 local terms energy: -770.575188 where: bonds (distance) C4'-P energy: -149.637 bonds (distance) P-C4' energy: -173.911 flat angles C4'-P-C4' energy: -175.994 flat angles P-C4'-P energy: -105.371 tors. eta vs tors. theta energy: -165.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1615.651531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.651531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.651531 (E_RNA) where: Base-Base interactions energy: -1001.702 where: short stacking energy: -453.791 Base-Backbone interact. energy: -3.334 local terms energy: -610.615556 where: bonds (distance) C4'-P energy: -153.997 bonds (distance) P-C4' energy: -141.829 flat angles C4'-P-C4' energy: -155.531 flat angles P-C4'-P energy: -80.532 tors. eta vs tors. theta energy: -78.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1434.596313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.596313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.596313 (E_RNA) where: Base-Base interactions energy: -844.541 where: short stacking energy: -388.300 Base-Backbone interact. energy: 2.595 local terms energy: -592.650457 where: bonds (distance) C4'-P energy: -140.544 bonds (distance) P-C4' energy: -156.125 flat angles C4'-P-C4' energy: -152.832 flat angles P-C4'-P energy: -65.706 tors. eta vs tors. theta energy: -77.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1044.368259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.368259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.368259 (E_RNA) where: Base-Base interactions energy: -509.140 where: short stacking energy: -275.214 Base-Backbone interact. energy: -0.391 local terms energy: -534.837096 where: bonds (distance) C4'-P energy: -151.683 bonds (distance) P-C4' energy: -160.008 flat angles C4'-P-C4' energy: -140.119 flat angles P-C4'-P energy: -78.291 tors. eta vs tors. theta energy: -4.736 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: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -729.870331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.870331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.870331 (E_RNA) where: Base-Base interactions energy: -282.763 where: short stacking energy: -209.604 Base-Backbone interact. energy: 10.025 local terms energy: -457.133134 where: bonds (distance) C4'-P energy: -142.685 bonds (distance) P-C4' energy: -166.279 flat angles C4'-P-C4' energy: -140.746 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: 38.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3105.207023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.207023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.207023 (E_RNA) where: Base-Base interactions energy: -2112.726 where: short stacking energy: -919.244 Base-Backbone interact. energy: -8.120 local terms energy: -984.360925 where: bonds (distance) C4'-P energy: -176.884 bonds (distance) P-C4' energy: -178.624 flat angles C4'-P-C4' energy: -210.519 flat angles P-C4'-P energy: -135.752 tors. eta vs tors. theta energy: -282.583 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: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -3003.684668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.684668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.684668 (E_RNA) where: Base-Base interactions energy: -2030.543 where: short stacking energy: -872.956 Base-Backbone interact. energy: -3.721 local terms energy: -969.420314 where: bonds (distance) C4'-P energy: -177.925 bonds (distance) P-C4' energy: -191.865 flat angles C4'-P-C4' energy: -211.494 flat angles P-C4'-P energy: -136.293 tors. eta vs tors. theta energy: -251.843 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: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2836.435867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.435867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.435867 (E_RNA) where: Base-Base interactions energy: -1936.738 where: short stacking energy: -821.161 Base-Backbone interact. energy: -2.396 local terms energy: -897.302437 where: bonds (distance) C4'-P energy: -170.963 bonds (distance) P-C4' energy: -168.408 flat angles C4'-P-C4' energy: -192.046 flat angles P-C4'-P energy: -124.806 tors. eta vs tors. theta energy: -241.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2639.776288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.776288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.776288 (E_RNA) where: Base-Base interactions energy: -1791.030 where: short stacking energy: -758.398 Base-Backbone interact. energy: -3.228 local terms energy: -845.518347 where: bonds (distance) C4'-P energy: -159.791 bonds (distance) P-C4' energy: -160.035 flat angles C4'-P-C4' energy: -183.358 flat angles P-C4'-P energy: -131.656 tors. eta vs tors. theta energy: -210.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2523.528453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.528453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.528453 (E_RNA) where: Base-Base interactions energy: -1704.599 where: short stacking energy: -728.300 Base-Backbone interact. energy: 1.962 local terms energy: -820.891881 where: bonds (distance) C4'-P energy: -149.481 bonds (distance) P-C4' energy: -162.445 flat angles C4'-P-C4' energy: -181.302 flat angles P-C4'-P energy: -117.626 tors. eta vs tors. theta energy: -210.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2262.948240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.948240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.948240 (E_RNA) where: Base-Base interactions energy: -1546.669 where: short stacking energy: -672.998 Base-Backbone interact. energy: -2.735 local terms energy: -713.543578 where: bonds (distance) C4'-P energy: -139.222 bonds (distance) P-C4' energy: -142.269 flat angles C4'-P-C4' energy: -166.975 flat angles P-C4'-P energy: -104.960 tors. eta vs tors. theta energy: -160.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1610.402034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.402034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.402034 (E_RNA) where: Base-Base interactions energy: -941.426 where: short stacking energy: -423.863 Base-Backbone interact. energy: -0.547 local terms energy: -668.429122 where: bonds (distance) C4'-P energy: -182.682 bonds (distance) P-C4' energy: -175.536 flat angles C4'-P-C4' energy: -171.934 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -59.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1427.113358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.113358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.113358 (E_RNA) where: Base-Base interactions energy: -835.504 where: short stacking energy: -441.236 Base-Backbone interact. energy: 3.610 local terms energy: -595.219403 where: bonds (distance) C4'-P energy: -132.490 bonds (distance) P-C4' energy: -156.694 flat angles C4'-P-C4' energy: -148.631 flat angles P-C4'-P energy: -76.899 tors. eta vs tors. theta energy: -80.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1045.600996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.600996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.600996 (E_RNA) where: Base-Base interactions energy: -517.181 where: short stacking energy: -291.447 Base-Backbone interact. energy: 0.568 local terms energy: -528.988186 where: bonds (distance) C4'-P energy: -154.294 bonds (distance) P-C4' energy: -147.047 flat angles C4'-P-C4' energy: -129.395 flat angles P-C4'-P energy: -85.345 tors. eta vs tors. theta energy: -12.908 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: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -759.521487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.521487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.521487 (E_RNA) where: Base-Base interactions energy: -274.717 where: short stacking energy: -216.365 Base-Backbone interact. energy: 8.196 local terms energy: -493.000457 where: bonds (distance) C4'-P energy: -153.607 bonds (distance) P-C4' energy: -166.246 flat angles C4'-P-C4' energy: -127.035 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: 24.990 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: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3117.732228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.732228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.732228 (E_RNA) where: Base-Base interactions energy: -2103.256 where: short stacking energy: -911.463 Base-Backbone interact. energy: -1.825 local terms energy: -1012.651401 where: bonds (distance) C4'-P energy: -181.750 bonds (distance) P-C4' energy: -187.885 flat angles C4'-P-C4' energy: -216.267 flat angles P-C4'-P energy: -145.607 tors. eta vs tors. theta energy: -281.142 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: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2999.911304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.911304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.911304 (E_RNA) where: Base-Base interactions energy: -2016.660 where: short stacking energy: -887.726 Base-Backbone interact. energy: -7.116 local terms energy: -976.135400 where: bonds (distance) C4'-P energy: -174.981 bonds (distance) P-C4' energy: -189.837 flat angles C4'-P-C4' energy: -220.445 flat angles P-C4'-P energy: -141.539 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: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2849.306871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.306871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.306871 (E_RNA) where: Base-Base interactions energy: -1935.907 where: short stacking energy: -807.844 Base-Backbone interact. energy: -5.408 local terms energy: -907.991956 where: bonds (distance) C4'-P energy: -179.928 bonds (distance) P-C4' energy: -174.242 flat angles C4'-P-C4' energy: -203.967 flat angles P-C4'-P energy: -112.867 tors. eta vs tors. theta energy: -236.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2625.278430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.278430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.278430 (E_RNA) where: Base-Base interactions energy: -1773.107 where: short stacking energy: -782.524 Base-Backbone interact. energy: -5.243 local terms energy: -846.927541 where: bonds (distance) C4'-P energy: -155.019 bonds (distance) P-C4' energy: -149.194 flat angles C4'-P-C4' energy: -197.685 flat angles P-C4'-P energy: -119.378 tors. eta vs tors. theta energy: -225.652 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: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2425.059483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.059483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.059483 (E_RNA) where: Base-Base interactions energy: -1608.008 where: short stacking energy: -681.134 Base-Backbone interact. energy: 0.830 local terms energy: -817.880524 where: bonds (distance) C4'-P energy: -155.788 bonds (distance) P-C4' energy: -174.700 flat angles C4'-P-C4' energy: -185.094 flat angles P-C4'-P energy: -106.546 tors. eta vs tors. theta energy: -195.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2226.099633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.099633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.099633 (E_RNA) where: Base-Base interactions energy: -1469.524 where: short stacking energy: -654.811 Base-Backbone interact. energy: 3.318 local terms energy: -759.893224 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -174.066 flat angles C4'-P-C4' energy: -172.772 flat angles P-C4'-P energy: -98.807 tors. eta vs tors. theta energy: -169.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1531.120816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.120816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.120816 (E_RNA) where: Base-Base interactions energy: -914.051 where: short stacking energy: -448.528 Base-Backbone interact. energy: 2.616 local terms energy: -619.685729 where: bonds (distance) C4'-P energy: -140.046 bonds (distance) P-C4' energy: -176.702 flat angles C4'-P-C4' energy: -148.433 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: -60.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1397.825586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.825586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.825586 (E_RNA) where: Base-Base interactions energy: -802.766 where: short stacking energy: -408.787 Base-Backbone interact. energy: 1.104 local terms energy: -596.163603 where: bonds (distance) C4'-P energy: -139.688 bonds (distance) P-C4' energy: -160.328 flat angles C4'-P-C4' energy: -141.030 flat angles P-C4'-P energy: -82.774 tors. eta vs tors. theta energy: -72.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1033.981393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.981393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.981393 (E_RNA) where: Base-Base interactions energy: -499.854 where: short stacking energy: -256.561 Base-Backbone interact. energy: 6.443 local terms energy: -540.570632 where: bonds (distance) C4'-P energy: -149.340 bonds (distance) P-C4' energy: -163.114 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -776.881977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.881977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.881977 (E_RNA) where: Base-Base interactions energy: -313.148 where: short stacking energy: -203.049 Base-Backbone interact. energy: 1.290 local terms energy: -465.024031 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -139.997 flat angles C4'-P-C4' energy: -136.572 flat angles P-C4'-P energy: -85.599 tors. eta vs tors. theta energy: 39.953 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: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3135.452174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.452174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.452174 (E_RNA) where: Base-Base interactions energy: -2094.899 where: short stacking energy: -938.976 Base-Backbone interact. energy: -4.642 local terms energy: -1035.910767 where: bonds (distance) C4'-P energy: -188.525 bonds (distance) P-C4' energy: -188.874 flat angles C4'-P-C4' energy: -217.044 flat angles P-C4'-P energy: -149.505 tors. eta vs tors. theta energy: -291.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2985.238335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.238335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.238335 (E_RNA) where: Base-Base interactions energy: -2045.990 where: short stacking energy: -865.754 Base-Backbone interact. energy: -1.635 local terms energy: -937.613523 where: bonds (distance) C4'-P energy: -180.574 bonds (distance) P-C4' energy: -168.824 flat angles C4'-P-C4' energy: -201.647 flat angles P-C4'-P energy: -132.675 tors. eta vs tors. theta energy: -253.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2817.969619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.969619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.969619 (E_RNA) where: Base-Base interactions energy: -1936.483 where: short stacking energy: -826.559 Base-Backbone interact. energy: -3.849 local terms energy: -877.636882 where: bonds (distance) C4'-P energy: -176.361 bonds (distance) P-C4' energy: -167.062 flat angles C4'-P-C4' energy: -197.223 flat angles P-C4'-P energy: -102.097 tors. eta vs tors. theta energy: -234.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2672.028177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.028177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.028177 (E_RNA) where: Base-Base interactions energy: -1797.794 where: short stacking energy: -763.917 Base-Backbone interact. energy: -2.389 local terms energy: -871.844972 where: bonds (distance) C4'-P energy: -156.268 bonds (distance) P-C4' energy: -175.696 flat angles C4'-P-C4' energy: -198.149 flat angles P-C4'-P energy: -141.386 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: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2442.122529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.122529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.122529 (E_RNA) where: Base-Base interactions energy: -1618.019 where: short stacking energy: -715.637 Base-Backbone interact. energy: -2.518 local terms energy: -821.585946 where: bonds (distance) C4'-P energy: -164.503 bonds (distance) P-C4' energy: -165.543 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -122.130 tors. eta vs tors. theta energy: -204.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2195.804673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.804673 (E_RNA) where: Base-Base interactions energy: -1430.592 where: short stacking energy: -614.664 Base-Backbone interact. energy: 5.906 local terms energy: -771.118954 where: bonds (distance) C4'-P energy: -158.000 bonds (distance) P-C4' energy: -172.828 flat angles C4'-P-C4' energy: -170.437 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -161.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1594.432808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.432808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.432808 (E_RNA) where: Base-Base interactions energy: -959.503 where: short stacking energy: -455.087 Base-Backbone interact. energy: -0.107 local terms energy: -634.822715 where: bonds (distance) C4'-P energy: -146.521 bonds (distance) P-C4' energy: -170.197 flat angles C4'-P-C4' energy: -157.654 flat angles P-C4'-P energy: -100.419 tors. eta vs tors. theta energy: -60.031 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: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1425.579818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.579818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.579818 (E_RNA) where: Base-Base interactions energy: -821.661 where: short stacking energy: -420.577 Base-Backbone interact. energy: 0.247 local terms energy: -604.166218 where: bonds (distance) C4'-P energy: -127.026 bonds (distance) P-C4' energy: -160.779 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -95.138 tors. eta vs tors. theta energy: -75.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -974.247081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.247081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.247081 (E_RNA) where: Base-Base interactions energy: -448.663 where: short stacking energy: -270.487 Base-Backbone interact. energy: -0.450 local terms energy: -525.133893 where: bonds (distance) C4'-P energy: -149.690 bonds (distance) P-C4' energy: -153.519 flat angles C4'-P-C4' energy: -148.539 flat angles P-C4'-P energy: -67.872 tors. eta vs tors. theta energy: -5.514 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: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -732.215367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.215367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.215367 (E_RNA) where: Base-Base interactions energy: -328.302 where: short stacking energy: -226.798 Base-Backbone interact. energy: -2.676 local terms energy: -401.237858 where: bonds (distance) C4'-P energy: -129.946 bonds (distance) P-C4' energy: -147.687 flat angles C4'-P-C4' energy: -121.916 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: 41.721 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: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3109.744172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.744172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.744172 (E_RNA) where: Base-Base interactions energy: -2100.760 where: short stacking energy: -905.610 Base-Backbone interact. energy: -4.669 local terms energy: -1004.314674 where: bonds (distance) C4'-P energy: -188.233 bonds (distance) P-C4' energy: -190.225 flat angles C4'-P-C4' energy: -212.685 flat angles P-C4'-P energy: -143.412 tors. eta vs tors. theta energy: -269.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3010.990680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.990680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.990680 (E_RNA) where: Base-Base interactions energy: -2062.617 where: short stacking energy: -859.185 Base-Backbone interact. energy: -1.873 local terms energy: -946.500626 where: bonds (distance) C4'-P energy: -188.930 bonds (distance) P-C4' energy: -190.868 flat angles C4'-P-C4' energy: -198.443 flat angles P-C4'-P energy: -141.262 tors. eta vs tors. theta energy: -226.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2800.274709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.274709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.274709 (E_RNA) where: Base-Base interactions energy: -1885.478 where: short stacking energy: -825.233 Base-Backbone interact. energy: -1.970 local terms energy: -912.827265 where: bonds (distance) C4'-P energy: -168.545 bonds (distance) P-C4' energy: -171.568 flat angles C4'-P-C4' energy: -210.994 flat angles P-C4'-P energy: -125.964 tors. eta vs tors. theta energy: -235.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2677.113439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.113439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.113439 (E_RNA) where: Base-Base interactions energy: -1773.763 where: short stacking energy: -781.588 Base-Backbone interact. energy: 0.220 local terms energy: -903.569990 where: bonds (distance) C4'-P energy: -182.012 bonds (distance) P-C4' energy: -181.513 flat angles C4'-P-C4' energy: -188.916 flat angles P-C4'-P energy: -125.979 tors. eta vs tors. theta energy: -225.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2454.785439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.785439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.785439 (E_RNA) where: Base-Base interactions energy: -1634.389 where: short stacking energy: -740.491 Base-Backbone interact. energy: -2.939 local terms energy: -817.457534 where: bonds (distance) C4'-P energy: -147.571 bonds (distance) P-C4' energy: -166.288 flat angles C4'-P-C4' energy: -183.919 flat angles P-C4'-P energy: -114.521 tors. eta vs tors. theta energy: -205.159 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: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2275.753575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.753575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.753575 (E_RNA) where: Base-Base interactions energy: -1499.054 where: short stacking energy: -672.498 Base-Backbone interact. energy: 1.747 local terms energy: -778.446496 where: bonds (distance) C4'-P energy: -159.974 bonds (distance) P-C4' energy: -152.850 flat angles C4'-P-C4' energy: -174.734 flat angles P-C4'-P energy: -105.079 tors. eta vs tors. theta energy: -185.810 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: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1554.688621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.688621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.688621 (E_RNA) where: Base-Base interactions energy: -932.577 where: short stacking energy: -450.749 Base-Backbone interact. energy: -2.224 local terms energy: -619.887441 where: bonds (distance) C4'-P energy: -166.178 bonds (distance) P-C4' energy: -157.928 flat angles C4'-P-C4' energy: -137.950 flat angles P-C4'-P energy: -84.305 tors. eta vs tors. theta energy: -73.527 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: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1298.578015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.578015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.578015 (E_RNA) where: Base-Base interactions energy: -772.360 where: short stacking energy: -383.172 Base-Backbone interact. energy: 2.234 local terms energy: -528.451885 where: bonds (distance) C4'-P energy: -161.414 bonds (distance) P-C4' energy: -127.403 flat angles C4'-P-C4' energy: -131.058 flat angles P-C4'-P energy: -81.216 tors. eta vs tors. theta energy: -27.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -987.042828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.042828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.042828 (E_RNA) where: Base-Base interactions energy: -503.929 where: short stacking energy: -266.186 Base-Backbone interact. energy: -4.772 local terms energy: -478.342171 where: bonds (distance) C4'-P energy: -135.761 bonds (distance) P-C4' energy: -137.688 flat angles C4'-P-C4' energy: -135.377 flat angles P-C4'-P energy: -78.267 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: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -768.916566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.916566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.916566 (E_RNA) where: Base-Base interactions energy: -318.051 where: short stacking energy: -231.853 Base-Backbone interact. energy: -3.180 local terms energy: -447.685067 where: bonds (distance) C4'-P energy: -125.325 bonds (distance) P-C4' energy: -155.252 flat angles C4'-P-C4' energy: -115.304 flat angles P-C4'-P energy: -74.657 tors. eta vs tors. theta energy: 22.854 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: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3074.784008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.784008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.784008 (E_RNA) where: Base-Base interactions energy: -2105.690 where: short stacking energy: -916.159 Base-Backbone interact. energy: -0.396 local terms energy: -968.698431 where: bonds (distance) C4'-P energy: -173.104 bonds (distance) P-C4' energy: -167.857 flat angles C4'-P-C4' energy: -212.561 flat angles P-C4'-P energy: -133.326 tors. eta vs tors. theta energy: -281.850 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: 351 Temperature: 0.950000 Total energy: -2975.819712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.819712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.819712 (E_RNA) where: Base-Base interactions energy: -2037.734 where: short stacking energy: -868.422 Base-Backbone interact. energy: 0.288 local terms energy: -938.373539 where: bonds (distance) C4'-P energy: -172.135 bonds (distance) P-C4' energy: -192.146 flat angles C4'-P-C4' energy: -190.875 flat angles P-C4'-P energy: -148.907 tors. eta vs tors. theta energy: -234.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2864.955985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.955985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.955985 (E_RNA) where: Base-Base interactions energy: -1932.898 where: short stacking energy: -840.915 Base-Backbone interact. energy: -0.338 local terms energy: -931.720649 where: bonds (distance) C4'-P energy: -179.238 bonds (distance) P-C4' energy: -184.378 flat angles C4'-P-C4' energy: -198.599 flat angles P-C4'-P energy: -119.487 tors. eta vs tors. theta energy: -250.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2687.408186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.408186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.408186 (E_RNA) where: Base-Base interactions energy: -1823.442 where: short stacking energy: -778.357 Base-Backbone interact. energy: -1.446 local terms energy: -862.519912 where: bonds (distance) C4'-P energy: -144.066 bonds (distance) P-C4' energy: -178.222 flat angles C4'-P-C4' energy: -197.445 flat angles P-C4'-P energy: -121.987 tors. eta vs tors. theta energy: -220.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2464.756707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.756707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.756707 (E_RNA) where: Base-Base interactions energy: -1669.173 where: short stacking energy: -730.913 Base-Backbone interact. energy: -1.995 local terms energy: -793.589525 where: bonds (distance) C4'-P energy: -152.115 bonds (distance) P-C4' energy: -152.215 flat angles C4'-P-C4' energy: -163.119 flat angles P-C4'-P energy: -118.124 tors. eta vs tors. theta energy: -208.016 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: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2312.458603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.458603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.458603 (E_RNA) where: Base-Base interactions energy: -1522.068 where: short stacking energy: -687.244 Base-Backbone interact. energy: 3.506 local terms energy: -793.896777 where: bonds (distance) C4'-P energy: -148.265 bonds (distance) P-C4' energy: -162.857 flat angles C4'-P-C4' energy: -192.972 flat angles P-C4'-P energy: -110.155 tors. eta vs tors. theta energy: -179.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1573.665610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.665610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.665610 (E_RNA) where: Base-Base interactions energy: -939.863 where: short stacking energy: -443.234 Base-Backbone interact. energy: 1.483 local terms energy: -635.285358 where: bonds (distance) C4'-P energy: -134.388 bonds (distance) P-C4' energy: -173.392 flat angles C4'-P-C4' energy: -155.586 flat angles P-C4'-P energy: -110.261 tors. eta vs tors. theta energy: -61.657 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: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1288.111859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.111859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.111859 (E_RNA) where: Base-Base interactions energy: -706.165 where: short stacking energy: -382.030 Base-Backbone interact. energy: -1.853 local terms energy: -580.093616 where: bonds (distance) C4'-P energy: -126.839 bonds (distance) P-C4' energy: -172.792 flat angles C4'-P-C4' energy: -158.814 flat angles P-C4'-P energy: -81.299 tors. eta vs tors. theta energy: -40.349 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: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1072.483601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.483601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.483601 (E_RNA) where: Base-Base interactions energy: -548.429 where: short stacking energy: -291.321 Base-Backbone interact. energy: -2.998 local terms energy: -521.056479 where: bonds (distance) C4'-P energy: -140.826 bonds (distance) P-C4' energy: -143.904 flat angles C4'-P-C4' energy: -163.388 flat angles P-C4'-P energy: -72.036 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -746.867198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.867198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.867198 (E_RNA) where: Base-Base interactions energy: -265.955 where: short stacking energy: -185.498 Base-Backbone interact. energy: -0.557 local terms energy: -480.355591 where: bonds (distance) C4'-P energy: -140.427 bonds (distance) P-C4' energy: -141.125 flat angles C4'-P-C4' energy: -128.969 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: 30.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3084.240228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.240228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.240228 (E_RNA) where: Base-Base interactions energy: -2080.233 where: short stacking energy: -905.356 Base-Backbone interact. energy: -7.064 local terms energy: -996.943642 where: bonds (distance) C4'-P energy: -174.305 bonds (distance) P-C4' energy: -188.937 flat angles C4'-P-C4' energy: -215.656 flat angles P-C4'-P energy: -144.450 tors. eta vs tors. theta energy: -273.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -3007.561193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.561193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.561193 (E_RNA) where: Base-Base interactions energy: -2047.689 where: short stacking energy: -877.144 Base-Backbone interact. energy: 5.314 local terms energy: -965.186243 where: bonds (distance) C4'-P energy: -179.202 bonds (distance) P-C4' energy: -175.740 flat angles C4'-P-C4' energy: -203.779 flat angles P-C4'-P energy: -143.396 tors. eta vs tors. theta energy: -263.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2829.025350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.025350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.025350 (E_RNA) where: Base-Base interactions energy: -1941.031 where: short stacking energy: -832.694 Base-Backbone interact. energy: -1.269 local terms energy: -886.724966 where: bonds (distance) C4'-P energy: -153.907 bonds (distance) P-C4' energy: -184.336 flat angles C4'-P-C4' energy: -189.945 flat angles P-C4'-P energy: -121.753 tors. eta vs tors. theta energy: -236.784 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2651.325177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.325177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.325177 (E_RNA) where: Base-Base interactions energy: -1794.145 where: short stacking energy: -760.947 Base-Backbone interact. energy: -2.077 local terms energy: -855.102795 where: bonds (distance) C4'-P energy: -152.407 bonds (distance) P-C4' energy: -164.943 flat angles C4'-P-C4' energy: -198.211 flat angles P-C4'-P energy: -116.627 tors. eta vs tors. theta energy: -222.915 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: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2497.520938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.520938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.520938 (E_RNA) where: Base-Base interactions energy: -1690.821 where: short stacking energy: -722.466 Base-Backbone interact. energy: -0.913 local terms energy: -805.786691 where: bonds (distance) C4'-P energy: -141.813 bonds (distance) P-C4' energy: -152.486 flat angles C4'-P-C4' energy: -195.064 flat angles P-C4'-P energy: -115.900 tors. eta vs tors. theta energy: -200.523 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: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2300.235041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.235041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.235041 (E_RNA) where: Base-Base interactions energy: -1500.828 where: short stacking energy: -676.129 Base-Backbone interact. energy: -1.655 local terms energy: -797.752339 where: bonds (distance) C4'-P energy: -150.011 bonds (distance) P-C4' energy: -163.967 flat angles C4'-P-C4' energy: -191.886 flat angles P-C4'-P energy: -106.045 tors. eta vs tors. theta energy: -185.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1615.182374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.182374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.182374 (E_RNA) where: Base-Base interactions energy: -1003.544 where: short stacking energy: -444.455 Base-Backbone interact. energy: 1.432 local terms energy: -613.069565 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -146.603 flat angles C4'-P-C4' energy: -167.809 flat angles P-C4'-P energy: -91.841 tors. eta vs tors. theta energy: -62.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1305.923160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.923160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.923160 (E_RNA) where: Base-Base interactions energy: -709.548 where: short stacking energy: -365.475 Base-Backbone interact. energy: -4.358 local terms energy: -592.017456 where: bonds (distance) C4'-P energy: -161.139 bonds (distance) P-C4' energy: -180.704 flat angles C4'-P-C4' energy: -118.716 flat angles P-C4'-P energy: -73.274 tors. eta vs tors. theta energy: -58.185 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: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1031.088252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.088252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.088252 (E_RNA) where: Base-Base interactions energy: -513.680 where: short stacking energy: -271.688 Base-Backbone interact. energy: -5.372 local terms energy: -512.035552 where: bonds (distance) C4'-P energy: -162.992 bonds (distance) P-C4' energy: -154.032 flat angles C4'-P-C4' energy: -114.621 flat angles P-C4'-P energy: -69.972 tors. eta vs tors. theta energy: -10.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -731.589057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.589057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.589057 (E_RNA) where: Base-Base interactions energy: -312.485 where: short stacking energy: -200.227 Base-Backbone interact. energy: -1.439 local terms energy: -417.664421 where: bonds (distance) C4'-P energy: -132.889 bonds (distance) P-C4' energy: -152.181 flat angles C4'-P-C4' energy: -113.358 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: 41.330 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: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3059.418149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.418149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.418149 (E_RNA) where: Base-Base interactions energy: -2070.792 where: short stacking energy: -894.525 Base-Backbone interact. energy: 2.366 local terms energy: -990.991862 where: bonds (distance) C4'-P energy: -192.368 bonds (distance) P-C4' energy: -179.228 flat angles C4'-P-C4' energy: -213.277 flat angles P-C4'-P energy: -147.347 tors. eta vs tors. theta energy: -258.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2991.364452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.364452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.364452 (E_RNA) where: Base-Base interactions energy: -2040.570 where: short stacking energy: -880.497 Base-Backbone interact. energy: -4.868 local terms energy: -945.926697 where: bonds (distance) C4'-P energy: -177.787 bonds (distance) P-C4' energy: -183.844 flat angles C4'-P-C4' energy: -195.646 flat angles P-C4'-P energy: -133.553 tors. eta vs tors. theta energy: -255.098 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: 353 Temperature: 1.000000 Total energy: -2791.937963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.937963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.937963 (E_RNA) where: Base-Base interactions energy: -1895.116 where: short stacking energy: -821.187 Base-Backbone interact. energy: -3.836 local terms energy: -892.985848 where: bonds (distance) C4'-P energy: -164.762 bonds (distance) P-C4' energy: -157.999 flat angles C4'-P-C4' energy: -205.080 flat angles P-C4'-P energy: -120.999 tors. eta vs tors. theta energy: -244.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2660.482059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.482059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.482059 (E_RNA) where: Base-Base interactions energy: -1782.402 where: short stacking energy: -763.606 Base-Backbone interact. energy: -1.212 local terms energy: -876.867910 where: bonds (distance) C4'-P energy: -161.991 bonds (distance) P-C4' energy: -175.634 flat angles C4'-P-C4' energy: -193.106 flat angles P-C4'-P energy: -126.551 tors. eta vs tors. theta energy: -219.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2461.220675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.220675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.220675 (E_RNA) where: Base-Base interactions energy: -1652.657 where: short stacking energy: -725.179 Base-Backbone interact. energy: -3.940 local terms energy: -804.623850 where: bonds (distance) C4'-P energy: -173.357 bonds (distance) P-C4' energy: -159.025 flat angles C4'-P-C4' energy: -167.583 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -206.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2246.885044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.885044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.885044 (E_RNA) where: Base-Base interactions energy: -1437.062 where: short stacking energy: -652.433 Base-Backbone interact. energy: -1.584 local terms energy: -808.239668 where: bonds (distance) C4'-P energy: -168.644 bonds (distance) P-C4' energy: -160.786 flat angles C4'-P-C4' energy: -178.392 flat angles P-C4'-P energy: -111.863 tors. eta vs tors. theta energy: -188.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1687.805373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.805373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.805373 (E_RNA) where: Base-Base interactions energy: -1008.007 where: short stacking energy: -476.698 Base-Backbone interact. energy: 1.093 local terms energy: -680.890907 where: bonds (distance) C4'-P energy: -148.694 bonds (distance) P-C4' energy: -155.485 flat angles C4'-P-C4' energy: -161.696 flat angles P-C4'-P energy: -109.022 tors. eta vs tors. theta energy: -105.993 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: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1401.259975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.259975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.259975 (E_RNA) where: Base-Base interactions energy: -781.867 where: short stacking energy: -386.117 Base-Backbone interact. energy: -1.359 local terms energy: -618.034183 where: bonds (distance) C4'-P energy: -141.683 bonds (distance) P-C4' energy: -158.089 flat angles C4'-P-C4' energy: -153.854 flat angles P-C4'-P energy: -100.972 tors. eta vs tors. theta energy: -63.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -995.700366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.700366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.700366 (E_RNA) where: Base-Base interactions energy: -463.491 where: short stacking energy: -279.575 Base-Backbone interact. energy: -4.145 local terms energy: -528.064535 where: bonds (distance) C4'-P energy: -148.889 bonds (distance) P-C4' energy: -146.000 flat angles C4'-P-C4' energy: -142.495 flat angles P-C4'-P energy: -101.852 tors. eta vs tors. theta energy: 11.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -823.961925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.961925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.961925 (E_RNA) where: Base-Base interactions energy: -357.363 where: short stacking energy: -239.915 Base-Backbone interact. energy: -4.192 local terms energy: -462.406795 where: bonds (distance) C4'-P energy: -149.339 bonds (distance) P-C4' energy: -149.674 flat angles C4'-P-C4' energy: -117.487 flat angles P-C4'-P energy: -65.057 tors. eta vs tors. theta energy: 19.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3089.396172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.396172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.396172 (E_RNA) where: Base-Base interactions energy: -2100.851 where: short stacking energy: -919.843 Base-Backbone interact. energy: -7.009 local terms energy: -981.535806 where: bonds (distance) C4'-P energy: -180.797 bonds (distance) P-C4' energy: -179.231 flat angles C4'-P-C4' energy: -212.310 flat angles P-C4'-P energy: -142.336 tors. eta vs tors. theta energy: -266.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -3010.936161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.936161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.936161 (E_RNA) where: Base-Base interactions energy: -2051.037 where: short stacking energy: -867.113 Base-Backbone interact. energy: 0.228 local terms energy: -960.127092 where: bonds (distance) C4'-P energy: -187.085 bonds (distance) P-C4' energy: -176.404 flat angles C4'-P-C4' energy: -205.952 flat angles P-C4'-P energy: -131.443 tors. eta vs tors. theta energy: -259.244 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: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2869.441654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.441654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.441654 (E_RNA) where: Base-Base interactions energy: -1933.287 where: short stacking energy: -857.525 Base-Backbone interact. energy: -2.357 local terms energy: -933.798043 where: bonds (distance) C4'-P energy: -170.752 bonds (distance) P-C4' energy: -184.585 flat angles C4'-P-C4' energy: -195.718 flat angles P-C4'-P energy: -125.805 tors. eta vs tors. theta energy: -256.939 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: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2695.239456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.239456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.239456 (E_RNA) where: Base-Base interactions energy: -1814.498 where: short stacking energy: -807.576 Base-Backbone interact. energy: -3.513 local terms energy: -877.227823 where: bonds (distance) C4'-P energy: -151.467 bonds (distance) P-C4' energy: -179.573 flat angles C4'-P-C4' energy: -189.852 flat angles P-C4'-P energy: -115.283 tors. eta vs tors. theta energy: -241.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2592.981162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.981162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.981162 (E_RNA) where: Base-Base interactions energy: -1728.342 where: short stacking energy: -730.036 Base-Backbone interact. energy: 0.549 local terms energy: -865.188811 where: bonds (distance) C4'-P energy: -166.161 bonds (distance) P-C4' energy: -174.693 flat angles C4'-P-C4' energy: -179.662 flat angles P-C4'-P energy: -117.581 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: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2221.840864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.840864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.840864 (E_RNA) where: Base-Base interactions energy: -1459.425 where: short stacking energy: -666.431 Base-Backbone interact. energy: 0.501 local terms energy: -762.916364 where: bonds (distance) C4'-P energy: -146.147 bonds (distance) P-C4' energy: -181.258 flat angles C4'-P-C4' energy: -168.130 flat angles P-C4'-P energy: -95.651 tors. eta vs tors. theta energy: -171.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1659.945061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.945061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.945061 (E_RNA) where: Base-Base interactions energy: -1011.337 where: short stacking energy: -486.671 Base-Backbone interact. energy: 0.855 local terms energy: -649.463179 where: bonds (distance) C4'-P energy: -160.322 bonds (distance) P-C4' energy: -149.019 flat angles C4'-P-C4' energy: -145.769 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -104.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1384.244345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.244345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.244345 (E_RNA) where: Base-Base interactions energy: -813.823 where: short stacking energy: -379.463 Base-Backbone interact. energy: -0.982 local terms energy: -569.438545 where: bonds (distance) C4'-P energy: -125.552 bonds (distance) P-C4' energy: -167.021 flat angles C4'-P-C4' energy: -156.867 flat angles P-C4'-P energy: -75.929 tors. eta vs tors. theta energy: -44.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -946.158688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.158688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.158688 (E_RNA) where: Base-Base interactions energy: -462.630 where: short stacking energy: -269.614 Base-Backbone interact. energy: 2.537 local terms energy: -486.065545 where: bonds (distance) C4'-P energy: -135.284 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -82.170 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: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -712.560581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.560581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.560581 (E_RNA) where: Base-Base interactions energy: -266.365 where: short stacking energy: -191.190 Base-Backbone interact. energy: 1.012 local terms energy: -447.207486 where: bonds (distance) C4'-P energy: -161.504 bonds (distance) P-C4' energy: -151.742 flat angles C4'-P-C4' energy: -103.359 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: 37.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3123.814800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.814800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.814800 (E_RNA) where: Base-Base interactions energy: -2111.360 where: short stacking energy: -906.123 Base-Backbone interact. energy: -4.733 local terms energy: -1007.722055 where: bonds (distance) C4'-P energy: -194.996 bonds (distance) P-C4' energy: -191.298 flat angles C4'-P-C4' energy: -213.885 flat angles P-C4'-P energy: -138.009 tors. eta vs tors. theta energy: -269.534 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: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3018.691116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.691116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.691116 (E_RNA) where: Base-Base interactions energy: -2055.080 where: short stacking energy: -904.021 Base-Backbone interact. energy: -3.234 local terms energy: -960.377153 where: bonds (distance) C4'-P energy: -173.876 bonds (distance) P-C4' energy: -181.562 flat angles C4'-P-C4' energy: -205.559 flat angles P-C4'-P energy: -141.672 tors. eta vs tors. theta energy: -257.709 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: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2827.966952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.966952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.966952 (E_RNA) where: Base-Base interactions energy: -1908.441 where: short stacking energy: -830.247 Base-Backbone interact. energy: -2.594 local terms energy: -916.932010 where: bonds (distance) C4'-P energy: -180.811 bonds (distance) P-C4' energy: -168.246 flat angles C4'-P-C4' energy: -185.361 flat angles P-C4'-P energy: -125.647 tors. eta vs tors. theta energy: -256.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2692.217024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.217024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.217024 (E_RNA) where: Base-Base interactions energy: -1818.339 where: short stacking energy: -763.517 Base-Backbone interact. energy: -1.097 local terms energy: -872.781334 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -182.040 flat angles C4'-P-C4' energy: -185.144 flat angles P-C4'-P energy: -129.270 tors. eta vs tors. theta energy: -228.564 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: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2597.719994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.719994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.719994 (E_RNA) where: Base-Base interactions energy: -1765.541 where: short stacking energy: -742.886 Base-Backbone interact. energy: -5.915 local terms energy: -826.264094 where: bonds (distance) C4'-P energy: -173.406 bonds (distance) P-C4' energy: -158.006 flat angles C4'-P-C4' energy: -177.365 flat angles P-C4'-P energy: -101.381 tors. eta vs tors. theta energy: -216.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2198.837424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.837424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.837424 (E_RNA) where: Base-Base interactions energy: -1440.593 where: short stacking energy: -631.394 Base-Backbone interact. energy: 3.452 local terms energy: -761.696451 where: bonds (distance) C4'-P energy: -147.289 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -176.524 flat angles P-C4'-P energy: -111.159 tors. eta vs tors. theta energy: -169.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1727.266732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.266732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.266732 (E_RNA) where: Base-Base interactions energy: -1034.741 where: short stacking energy: -473.374 Base-Backbone interact. energy: -5.129 local terms energy: -687.396983 where: bonds (distance) C4'-P energy: -160.742 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -169.321 flat angles P-C4'-P energy: -105.133 tors. eta vs tors. theta energy: -103.676 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: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1369.347311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.347311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.347311 (E_RNA) where: Base-Base interactions energy: -772.067 where: short stacking energy: -363.623 Base-Backbone interact. energy: 2.495 local terms energy: -599.774821 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -172.098 flat angles C4'-P-C4' energy: -134.346 flat angles P-C4'-P energy: -98.067 tors. eta vs tors. theta energy: -46.526 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: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -976.909226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.909226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.909226 (E_RNA) where: Base-Base interactions energy: -459.602 where: short stacking energy: -278.233 Base-Backbone interact. energy: -0.626 local terms energy: -516.681571 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -163.273 flat angles C4'-P-C4' energy: -108.413 flat angles P-C4'-P energy: -78.771 tors. eta vs tors. theta energy: -21.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -709.668468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.668468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.668468 (E_RNA) where: Base-Base interactions energy: -274.507 where: short stacking energy: -206.485 Base-Backbone interact. energy: 0.903 local terms energy: -436.065348 where: bonds (distance) C4'-P energy: -141.925 bonds (distance) P-C4' energy: -154.823 flat angles C4'-P-C4' energy: -106.527 flat angles P-C4'-P energy: -62.900 tors. eta vs tors. theta energy: 30.109 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: 356 Temperature: 0.900000 Total energy: -3068.076268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.076268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.076268 (E_RNA) where: Base-Base interactions energy: -2119.443 where: short stacking energy: -864.580 Base-Backbone interact. energy: 1.544 local terms energy: -950.177550 where: bonds (distance) C4'-P energy: -183.264 bonds (distance) P-C4' energy: -190.313 flat angles C4'-P-C4' energy: -205.890 flat angles P-C4'-P energy: -132.410 tors. eta vs tors. theta energy: -238.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3024.844758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.844758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.844758 (E_RNA) where: Base-Base interactions energy: -2068.050 where: short stacking energy: -908.714 Base-Backbone interact. energy: -1.536 local terms energy: -955.258765 where: bonds (distance) C4'-P energy: -171.078 bonds (distance) P-C4' energy: -173.006 flat angles C4'-P-C4' energy: -206.815 flat angles P-C4'-P energy: -136.409 tors. eta vs tors. theta energy: -267.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2788.017177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.017177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.017177 (E_RNA) where: Base-Base interactions energy: -1874.570 where: short stacking energy: -809.641 Base-Backbone interact. energy: -1.620 local terms energy: -911.827532 where: bonds (distance) C4'-P energy: -182.645 bonds (distance) P-C4' energy: -166.646 flat angles C4'-P-C4' energy: -192.018 flat angles P-C4'-P energy: -129.082 tors. eta vs tors. theta energy: -241.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2712.477340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.477340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.477340 (E_RNA) where: Base-Base interactions energy: -1827.464 where: short stacking energy: -800.954 Base-Backbone interact. energy: -2.265 local terms energy: -882.748494 where: bonds (distance) C4'-P energy: -164.637 bonds (distance) P-C4' energy: -166.392 flat angles C4'-P-C4' energy: -194.692 flat angles P-C4'-P energy: -123.233 tors. eta vs tors. theta energy: -233.795 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: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2597.563317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.563317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.563317 (E_RNA) where: Base-Base interactions energy: -1744.059 where: short stacking energy: -761.329 Base-Backbone interact. energy: -2.012 local terms energy: -851.492080 where: bonds (distance) C4'-P energy: -160.529 bonds (distance) P-C4' energy: -175.224 flat angles C4'-P-C4' energy: -188.217 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -219.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2217.293630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.293630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.293630 (E_RNA) where: Base-Base interactions energy: -1478.461 where: short stacking energy: -615.387 Base-Backbone interact. energy: -1.348 local terms energy: -737.484608 where: bonds (distance) C4'-P energy: -153.619 bonds (distance) P-C4' energy: -140.931 flat angles C4'-P-C4' energy: -175.218 flat angles P-C4'-P energy: -92.763 tors. eta vs tors. theta energy: -174.954 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: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1613.787748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.787748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.787748 (E_RNA) where: Base-Base interactions energy: -964.247 where: short stacking energy: -446.593 Base-Backbone interact. energy: -3.516 local terms energy: -646.025394 where: bonds (distance) C4'-P energy: -154.545 bonds (distance) P-C4' energy: -161.258 flat angles C4'-P-C4' energy: -164.042 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -71.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1315.523937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.523937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.523937 (E_RNA) where: Base-Base interactions energy: -785.404 where: short stacking energy: -384.293 Base-Backbone interact. energy: 6.537 local terms energy: -536.657210 where: bonds (distance) C4'-P energy: -134.901 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -136.656 flat angles P-C4'-P energy: -73.780 tors. eta vs tors. theta energy: -39.797 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: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -973.799356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.799356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.799356 (E_RNA) where: Base-Base interactions energy: -451.303 where: short stacking energy: -252.915 Base-Backbone interact. energy: 0.708 local terms energy: -523.203499 where: bonds (distance) C4'-P energy: -167.363 bonds (distance) P-C4' energy: -153.906 flat angles C4'-P-C4' energy: -129.939 flat angles P-C4'-P energy: -79.718 tors. eta vs tors. theta energy: 7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -729.427330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.427330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.427330 (E_RNA) where: Base-Base interactions energy: -270.338 where: short stacking energy: -178.028 Base-Backbone interact. energy: 1.998 local terms energy: -461.087002 where: bonds (distance) C4'-P energy: -134.299 bonds (distance) P-C4' energy: -149.988 flat angles C4'-P-C4' energy: -131.457 flat angles P-C4'-P energy: -88.570 tors. eta vs tors. theta energy: 43.226 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: 357 Temperature: 0.900000 Total energy: -3150.311818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.311818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.311818 (E_RNA) where: Base-Base interactions energy: -2165.996 where: short stacking energy: -911.778 Base-Backbone interact. energy: 4.144 local terms energy: -988.459482 where: bonds (distance) C4'-P energy: -176.440 bonds (distance) P-C4' energy: -203.692 flat angles C4'-P-C4' energy: -214.852 flat angles P-C4'-P energy: -141.451 tors. eta vs tors. theta energy: -252.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3026.665007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.665007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.665007 (E_RNA) where: Base-Base interactions energy: -2095.601 where: short stacking energy: -898.905 Base-Backbone interact. energy: -2.044 local terms energy: -929.019363 where: bonds (distance) C4'-P energy: -168.309 bonds (distance) P-C4' energy: -177.373 flat angles C4'-P-C4' energy: -181.750 flat angles P-C4'-P energy: -116.927 tors. eta vs tors. theta energy: -284.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2795.005190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.005190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.005190 (E_RNA) where: Base-Base interactions energy: -1899.289 where: short stacking energy: -841.739 Base-Backbone interact. energy: 5.703 local terms energy: -901.418866 where: bonds (distance) C4'-P energy: -171.534 bonds (distance) P-C4' energy: -169.217 flat angles C4'-P-C4' energy: -202.798 flat angles P-C4'-P energy: -109.504 tors. eta vs tors. theta energy: -248.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2723.044588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.044588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.044588 (E_RNA) where: Base-Base interactions energy: -1827.064 where: short stacking energy: -783.688 Base-Backbone interact. energy: 0.305 local terms energy: -896.285790 where: bonds (distance) C4'-P energy: -167.477 bonds (distance) P-C4' energy: -183.570 flat angles C4'-P-C4' energy: -186.260 flat angles P-C4'-P energy: -117.294 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: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2542.093644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.093644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.093644 (E_RNA) where: Base-Base interactions energy: -1663.936 where: short stacking energy: -725.784 Base-Backbone interact. energy: -3.870 local terms energy: -874.287428 where: bonds (distance) C4'-P energy: -170.609 bonds (distance) P-C4' energy: -178.179 flat angles C4'-P-C4' energy: -198.856 flat angles P-C4'-P energy: -115.672 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: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2243.120914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.120914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.120914 (E_RNA) where: Base-Base interactions energy: -1453.376 where: short stacking energy: -669.532 Base-Backbone interact. energy: 0.218 local terms energy: -789.962701 where: bonds (distance) C4'-P energy: -152.393 bonds (distance) P-C4' energy: -156.034 flat angles C4'-P-C4' energy: -179.090 flat angles P-C4'-P energy: -118.594 tors. eta vs tors. theta energy: -183.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1721.782657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.782657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.782657 (E_RNA) where: Base-Base interactions energy: -1054.272 where: short stacking energy: -487.764 Base-Backbone interact. energy: 1.968 local terms energy: -669.479158 where: bonds (distance) C4'-P energy: -163.690 bonds (distance) P-C4' energy: -155.839 flat angles C4'-P-C4' energy: -162.444 flat angles P-C4'-P energy: -89.546 tors. eta vs tors. theta energy: -97.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1322.015647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.015647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.015647 (E_RNA) where: Base-Base interactions energy: -782.288 where: short stacking energy: -373.373 Base-Backbone interact. energy: 3.307 local terms energy: -543.034737 where: bonds (distance) C4'-P energy: -149.671 bonds (distance) P-C4' energy: -138.849 flat angles C4'-P-C4' energy: -129.599 flat angles P-C4'-P energy: -76.064 tors. eta vs tors. theta energy: -48.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -988.288110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.288110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.288110 (E_RNA) where: Base-Base interactions energy: -492.060 where: short stacking energy: -274.634 Base-Backbone interact. energy: -0.096 local terms energy: -496.132232 where: bonds (distance) C4'-P energy: -136.995 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -141.236 flat angles P-C4'-P energy: -74.897 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -864.624296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.624296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.624296 (E_RNA) where: Base-Base interactions energy: -388.440 where: short stacking energy: -242.182 Base-Backbone interact. energy: 10.917 local terms energy: -487.100943 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -135.703 flat angles C4'-P-C4' energy: -133.801 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: 7.693 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: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3151.069676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.069676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.069676 (E_RNA) where: Base-Base interactions energy: -2161.649 where: short stacking energy: -933.673 Base-Backbone interact. energy: -5.173 local terms energy: -984.247849 where: bonds (distance) C4'-P energy: -181.631 bonds (distance) P-C4' energy: -182.980 flat angles C4'-P-C4' energy: -208.104 flat angles P-C4'-P energy: -137.272 tors. eta vs tors. theta energy: -274.262 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: 358 Temperature: 0.950000 Total energy: -3059.199535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.199535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.199535 (E_RNA) where: Base-Base interactions energy: -2069.350 where: short stacking energy: -916.137 Base-Backbone interact. energy: -0.888 local terms energy: -988.961375 where: bonds (distance) C4'-P energy: -181.741 bonds (distance) P-C4' energy: -175.018 flat angles C4'-P-C4' energy: -201.338 flat angles P-C4'-P energy: -148.625 tors. eta vs tors. theta energy: -282.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2806.199266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.199266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.199266 (E_RNA) where: Base-Base interactions energy: -1887.438 where: short stacking energy: -829.728 Base-Backbone interact. energy: 0.387 local terms energy: -919.148185 where: bonds (distance) C4'-P energy: -171.763 bonds (distance) P-C4' energy: -182.530 flat angles C4'-P-C4' energy: -206.056 flat angles P-C4'-P energy: -122.080 tors. eta vs tors. theta energy: -236.719 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: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2668.358037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.358037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.358037 (E_RNA) where: Base-Base interactions energy: -1788.251 where: short stacking energy: -770.234 Base-Backbone interact. energy: 3.626 local terms energy: -883.733991 where: bonds (distance) C4'-P energy: -159.003 bonds (distance) P-C4' energy: -179.230 flat angles C4'-P-C4' energy: -194.400 flat angles P-C4'-P energy: -134.961 tors. eta vs tors. theta energy: -216.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2534.613215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.613215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.613215 (E_RNA) where: Base-Base interactions energy: -1676.337 where: short stacking energy: -722.221 Base-Backbone interact. energy: 4.785 local terms energy: -863.061809 where: bonds (distance) C4'-P energy: -160.984 bonds (distance) P-C4' energy: -167.517 flat angles C4'-P-C4' energy: -201.261 flat angles P-C4'-P energy: -119.351 tors. eta vs tors. theta energy: -213.949 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: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2242.593578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.593578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.593578 (E_RNA) where: Base-Base interactions energy: -1454.770 where: short stacking energy: -687.416 Base-Backbone interact. energy: 0.115 local terms energy: -787.938929 where: bonds (distance) C4'-P energy: -143.484 bonds (distance) P-C4' energy: -171.260 flat angles C4'-P-C4' energy: -174.517 flat angles P-C4'-P energy: -110.998 tors. eta vs tors. theta energy: -187.680 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: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1786.217476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.217476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.217476 (E_RNA) where: Base-Base interactions energy: -1103.042 where: short stacking energy: -513.011 Base-Backbone interact. energy: 1.228 local terms energy: -684.403496 where: bonds (distance) C4'-P energy: -152.522 bonds (distance) P-C4' energy: -161.590 flat angles C4'-P-C4' energy: -170.085 flat angles P-C4'-P energy: -90.738 tors. eta vs tors. theta energy: -109.468 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: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1307.845439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.845439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.845439 (E_RNA) where: Base-Base interactions energy: -740.047 where: short stacking energy: -375.330 Base-Backbone interact. energy: 3.082 local terms energy: -570.880444 where: bonds (distance) C4'-P energy: -141.654 bonds (distance) P-C4' energy: -155.602 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -39.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -956.901830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.901830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.901830 (E_RNA) where: Base-Base interactions energy: -451.815 where: short stacking energy: -263.531 Base-Backbone interact. energy: 2.582 local terms energy: -507.668895 where: bonds (distance) C4'-P energy: -167.230 bonds (distance) P-C4' energy: -165.137 flat angles C4'-P-C4' energy: -120.847 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -736.877169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.877169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.877169 (E_RNA) where: Base-Base interactions energy: -293.434 where: short stacking energy: -211.420 Base-Backbone interact. energy: 3.372 local terms energy: -446.816068 where: bonds (distance) C4'-P energy: -120.507 bonds (distance) P-C4' energy: -128.153 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -85.469 tors. eta vs tors. theta energy: 24.607 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: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3148.721599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.721599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.721599 (E_RNA) where: Base-Base interactions energy: -2183.942 where: short stacking energy: -920.707 Base-Backbone interact. energy: -4.873 local terms energy: -959.906726 where: bonds (distance) C4'-P energy: -166.905 bonds (distance) P-C4' energy: -170.564 flat angles C4'-P-C4' energy: -213.512 flat angles P-C4'-P energy: -138.953 tors. eta vs tors. theta energy: -269.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3032.628134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.628134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.628134 (E_RNA) where: Base-Base interactions energy: -2058.271 where: short stacking energy: -920.881 Base-Backbone interact. energy: -3.503 local terms energy: -970.854779 where: bonds (distance) C4'-P energy: -176.519 bonds (distance) P-C4' energy: -182.329 flat angles C4'-P-C4' energy: -199.651 flat angles P-C4'-P energy: -131.985 tors. eta vs tors. theta energy: -280.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2769.026668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.026668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.026668 (E_RNA) where: Base-Base interactions energy: -1888.113 where: short stacking energy: -826.195 Base-Backbone interact. energy: 1.406 local terms energy: -882.319735 where: bonds (distance) C4'-P energy: -152.328 bonds (distance) P-C4' energy: -158.941 flat angles C4'-P-C4' energy: -203.060 flat angles P-C4'-P energy: -127.857 tors. eta vs tors. theta energy: -240.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2630.717928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.717928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.717928 (E_RNA) where: Base-Base interactions energy: -1798.303 where: short stacking energy: -761.514 Base-Backbone interact. energy: -3.944 local terms energy: -828.470738 where: bonds (distance) C4'-P energy: -154.207 bonds (distance) P-C4' energy: -171.356 flat angles C4'-P-C4' energy: -181.029 flat angles P-C4'-P energy: -119.440 tors. eta vs tors. theta energy: -202.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2576.246676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.246676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.246676 (E_RNA) where: Base-Base interactions energy: -1741.910 where: short stacking energy: -764.671 Base-Backbone interact. energy: -6.439 local terms energy: -827.897102 where: bonds (distance) C4'-P energy: -158.581 bonds (distance) P-C4' energy: -157.354 flat angles C4'-P-C4' energy: -185.508 flat angles P-C4'-P energy: -92.969 tors. eta vs tors. theta energy: -233.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2256.143198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.143198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.143198 (E_RNA) where: Base-Base interactions energy: -1468.347 where: short stacking energy: -667.091 Base-Backbone interact. energy: 9.210 local terms energy: -797.005854 where: bonds (distance) C4'-P energy: -150.767 bonds (distance) P-C4' energy: -171.946 flat angles C4'-P-C4' energy: -165.985 flat angles P-C4'-P energy: -114.954 tors. eta vs tors. theta energy: -193.354 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: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1816.280198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.280198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.280198 (E_RNA) where: Base-Base interactions energy: -1146.589 where: short stacking energy: -517.498 Base-Backbone interact. energy: 2.817 local terms energy: -672.508431 where: bonds (distance) C4'-P energy: -174.900 bonds (distance) P-C4' energy: -142.433 flat angles C4'-P-C4' energy: -145.045 flat angles P-C4'-P energy: -105.301 tors. eta vs tors. theta energy: -104.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1322.392683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.392683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.392683 (E_RNA) where: Base-Base interactions energy: -755.441 where: short stacking energy: -386.916 Base-Backbone interact. energy: 1.279 local terms energy: -568.230133 where: bonds (distance) C4'-P energy: -145.878 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -134.431 flat angles P-C4'-P energy: -73.041 tors. eta vs tors. theta energy: -56.016 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: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -957.106687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.106687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.106687 (E_RNA) where: Base-Base interactions energy: -482.605 where: short stacking energy: -270.563 Base-Backbone interact. energy: 4.078 local terms energy: -478.579189 where: bonds (distance) C4'-P energy: -144.124 bonds (distance) P-C4' energy: -136.506 flat angles C4'-P-C4' energy: -141.726 flat angles P-C4'-P energy: -73.675 tors. eta vs tors. theta energy: 17.452 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: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -747.393156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.393156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.393156 (E_RNA) where: Base-Base interactions energy: -286.781 where: short stacking energy: -211.985 Base-Backbone interact. energy: -3.241 local terms energy: -457.370815 where: bonds (distance) C4'-P energy: -153.464 bonds (distance) P-C4' energy: -161.175 flat angles C4'-P-C4' energy: -112.161 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: 37.617 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: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3209.112403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.112403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.112403 (E_RNA) where: Base-Base interactions energy: -2210.202 where: short stacking energy: -939.817 Base-Backbone interact. energy: 3.353 local terms energy: -1002.262846 where: bonds (distance) C4'-P energy: -194.493 bonds (distance) P-C4' energy: -180.421 flat angles C4'-P-C4' energy: -215.441 flat angles P-C4'-P energy: -134.876 tors. eta vs tors. theta energy: -277.032 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: 360 Temperature: 0.950000 Total energy: -3007.376990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.376990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.376990 (E_RNA) where: Base-Base interactions energy: -2054.547 where: short stacking energy: -904.861 Base-Backbone interact. energy: -4.483 local terms energy: -948.347051 where: bonds (distance) C4'-P energy: -159.113 bonds (distance) P-C4' energy: -181.949 flat angles C4'-P-C4' energy: -212.041 flat angles P-C4'-P energy: -127.455 tors. eta vs tors. theta energy: -267.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2796.323155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.323155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.323155 (E_RNA) where: Base-Base interactions energy: -1840.322 where: short stacking energy: -827.445 Base-Backbone interact. energy: 0.364 local terms energy: -956.365180 where: bonds (distance) C4'-P energy: -188.909 bonds (distance) P-C4' energy: -174.244 flat angles C4'-P-C4' energy: -210.192 flat angles P-C4'-P energy: -138.474 tors. eta vs tors. theta energy: -244.546 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: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2629.676849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.676849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.676849 (E_RNA) where: Base-Base interactions energy: -1781.347 where: short stacking energy: -758.308 Base-Backbone interact. energy: -2.026 local terms energy: -846.303492 where: bonds (distance) C4'-P energy: -173.849 bonds (distance) P-C4' energy: -157.453 flat angles C4'-P-C4' energy: -195.873 flat angles P-C4'-P energy: -111.481 tors. eta vs tors. theta energy: -207.646 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: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2569.871348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.871348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.871348 (E_RNA) where: Base-Base interactions energy: -1725.559 where: short stacking energy: -741.802 Base-Backbone interact. energy: -7.444 local terms energy: -836.868070 where: bonds (distance) C4'-P energy: -165.903 bonds (distance) P-C4' energy: -174.614 flat angles C4'-P-C4' energy: -174.740 flat angles P-C4'-P energy: -106.226 tors. eta vs tors. theta energy: -215.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2264.089714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.089714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.089714 (E_RNA) where: Base-Base interactions energy: -1478.714 where: short stacking energy: -611.645 Base-Backbone interact. energy: -1.426 local terms energy: -783.949839 where: bonds (distance) C4'-P energy: -159.226 bonds (distance) P-C4' energy: -165.108 flat angles C4'-P-C4' energy: -178.742 flat angles P-C4'-P energy: -112.103 tors. eta vs tors. theta energy: -168.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1820.831701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.831701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.831701 (E_RNA) where: Base-Base interactions energy: -1170.758 where: short stacking energy: -518.674 Base-Backbone interact. energy: -2.445 local terms energy: -647.629195 where: bonds (distance) C4'-P energy: -125.816 bonds (distance) P-C4' energy: -143.428 flat angles C4'-P-C4' energy: -174.285 flat angles P-C4'-P energy: -87.382 tors. eta vs tors. theta energy: -116.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1361.809852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.809852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.809852 (E_RNA) where: Base-Base interactions energy: -771.737 where: short stacking energy: -381.865 Base-Backbone interact. energy: -0.920 local terms energy: -589.152594 where: bonds (distance) C4'-P energy: -159.603 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -142.602 flat angles P-C4'-P energy: -79.636 tors. eta vs tors. theta energy: -59.622 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: 360 Temperature: 1.300000 Total energy: -999.781568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.781568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.781568 (E_RNA) where: Base-Base interactions energy: -533.899 where: short stacking energy: -273.438 Base-Backbone interact. energy: -1.827 local terms energy: -464.055827 where: bonds (distance) C4'-P energy: -153.874 bonds (distance) P-C4' energy: -157.034 flat angles C4'-P-C4' energy: -111.821 flat angles P-C4'-P energy: -57.733 tors. eta vs tors. theta energy: 16.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -721.121472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.121472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.121472 (E_RNA) where: Base-Base interactions energy: -273.069 where: short stacking energy: -199.789 Base-Backbone interact. energy: 6.435 local terms energy: -454.487724 where: bonds (distance) C4'-P energy: -137.286 bonds (distance) P-C4' energy: -144.097 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -46.809 tors. eta vs tors. theta energy: 23.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3134.180607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.180607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.180607 (E_RNA) where: Base-Base interactions energy: -2175.514 where: short stacking energy: -895.363 Base-Backbone interact. energy: 1.089 local terms energy: -959.755789 where: bonds (distance) C4'-P energy: -176.585 bonds (distance) P-C4' energy: -180.994 flat angles C4'-P-C4' energy: -202.640 flat angles P-C4'-P energy: -129.533 tors. eta vs tors. theta energy: -270.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2994.010309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.010309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.010309 (E_RNA) where: Base-Base interactions energy: -2043.756 where: short stacking energy: -911.566 Base-Backbone interact. energy: -1.983 local terms energy: -948.271850 where: bonds (distance) C4'-P energy: -177.335 bonds (distance) P-C4' energy: -165.299 flat angles C4'-P-C4' energy: -199.367 flat angles P-C4'-P energy: -140.656 tors. eta vs tors. theta energy: -265.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2794.054409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.054409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.054409 (E_RNA) where: Base-Base interactions energy: -1859.142 where: short stacking energy: -834.405 Base-Backbone interact. energy: -4.094 local terms energy: -930.818617 where: bonds (distance) C4'-P energy: -177.917 bonds (distance) P-C4' energy: -180.533 flat angles C4'-P-C4' energy: -208.646 flat angles P-C4'-P energy: -111.530 tors. eta vs tors. theta energy: -252.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2698.478085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.478085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.478085 (E_RNA) where: Base-Base interactions energy: -1835.053 where: short stacking energy: -779.602 Base-Backbone interact. energy: 7.652 local terms energy: -871.076958 where: bonds (distance) C4'-P energy: -175.346 bonds (distance) P-C4' energy: -155.863 flat angles C4'-P-C4' energy: -187.425 flat angles P-C4'-P energy: -127.353 tors. eta vs tors. theta energy: -225.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2558.202204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.202204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.202204 (E_RNA) where: Base-Base interactions energy: -1721.966 where: short stacking energy: -745.826 Base-Backbone interact. energy: -1.521 local terms energy: -834.715187 where: bonds (distance) C4'-P energy: -157.979 bonds (distance) P-C4' energy: -146.504 flat angles C4'-P-C4' energy: -186.835 flat angles P-C4'-P energy: -127.279 tors. eta vs tors. theta energy: -216.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2194.696207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.696207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.696207 (E_RNA) where: Base-Base interactions energy: -1424.255 where: short stacking energy: -646.415 Base-Backbone interact. energy: -0.913 local terms energy: -769.528280 where: bonds (distance) C4'-P energy: -169.074 bonds (distance) P-C4' energy: -143.432 flat angles C4'-P-C4' energy: -162.884 flat angles P-C4'-P energy: -96.519 tors. eta vs tors. theta energy: -197.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1784.584115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.584115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.584115 (E_RNA) where: Base-Base interactions energy: -1069.757 where: short stacking energy: -494.775 Base-Backbone interact. energy: 1.480 local terms energy: -716.306497 where: bonds (distance) C4'-P energy: -159.369 bonds (distance) P-C4' energy: -164.903 flat angles C4'-P-C4' energy: -172.166 flat angles P-C4'-P energy: -115.846 tors. eta vs tors. theta energy: -104.023 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1338.782215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.782215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.782215 (E_RNA) where: Base-Base interactions energy: -746.703 where: short stacking energy: -371.409 Base-Backbone interact. energy: 8.720 local terms energy: -600.799295 where: bonds (distance) C4'-P energy: -138.456 bonds (distance) P-C4' energy: -146.639 flat angles C4'-P-C4' energy: -154.708 flat angles P-C4'-P energy: -106.947 tors. eta vs tors. theta energy: -54.050 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: 361 Temperature: 1.300000 Total energy: -956.176900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.176900 (E_RNA) where: Base-Base interactions energy: -482.545 where: short stacking energy: -263.670 Base-Backbone interact. energy: 4.949 local terms energy: -478.580431 where: bonds (distance) C4'-P energy: -147.209 bonds (distance) P-C4' energy: -118.964 flat angles C4'-P-C4' energy: -125.230 flat angles P-C4'-P energy: -90.644 tors. eta vs tors. theta energy: 3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -716.288874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.288874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.288874 (E_RNA) where: Base-Base interactions energy: -254.514 where: short stacking energy: -193.675 Base-Backbone interact. energy: 0.040 local terms energy: -461.814369 where: bonds (distance) C4'-P energy: -151.947 bonds (distance) P-C4' energy: -149.859 flat angles C4'-P-C4' energy: -122.253 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: 27.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3142.251512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.251512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.251512 (E_RNA) where: Base-Base interactions energy: -2153.673 where: short stacking energy: -907.305 Base-Backbone interact. energy: -1.741 local terms energy: -986.838026 where: bonds (distance) C4'-P energy: -196.850 bonds (distance) P-C4' energy: -190.436 flat angles C4'-P-C4' energy: -204.475 flat angles P-C4'-P energy: -129.594 tors. eta vs tors. theta energy: -265.484 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: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2989.243468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.243468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.243468 (E_RNA) where: Base-Base interactions energy: -2028.727 where: short stacking energy: -874.043 Base-Backbone interact. energy: -1.179 local terms energy: -959.337375 where: bonds (distance) C4'-P energy: -164.098 bonds (distance) P-C4' energy: -191.347 flat angles C4'-P-C4' energy: -203.321 flat angles P-C4'-P energy: -141.095 tors. eta vs tors. theta energy: -259.476 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: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2827.686258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.686258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.686258 (E_RNA) where: Base-Base interactions energy: -1893.128 where: short stacking energy: -840.079 Base-Backbone interact. energy: -3.805 local terms energy: -930.753804 where: bonds (distance) C4'-P energy: -179.177 bonds (distance) P-C4' energy: -174.526 flat angles C4'-P-C4' energy: -203.188 flat angles P-C4'-P energy: -136.422 tors. eta vs tors. theta energy: -237.441 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: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2731.732612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.732612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.732612 (E_RNA) where: Base-Base interactions energy: -1829.580 where: short stacking energy: -825.732 Base-Backbone interact. energy: -4.958 local terms energy: -897.194551 where: bonds (distance) C4'-P energy: -151.871 bonds (distance) P-C4' energy: -170.563 flat angles C4'-P-C4' energy: -206.043 flat angles P-C4'-P energy: -119.348 tors. eta vs tors. theta energy: -249.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2518.485976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.485976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.485976 (E_RNA) where: Base-Base interactions energy: -1662.550 where: short stacking energy: -700.921 Base-Backbone interact. energy: 2.066 local terms energy: -858.002625 where: bonds (distance) C4'-P energy: -167.428 bonds (distance) P-C4' energy: -172.101 flat angles C4'-P-C4' energy: -189.508 flat angles P-C4'-P energy: -122.680 tors. eta vs tors. theta energy: -206.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2229.166461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.166461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.166461 (E_RNA) where: Base-Base interactions energy: -1482.660 where: short stacking energy: -648.432 Base-Backbone interact. energy: -1.219 local terms energy: -745.288108 where: bonds (distance) C4'-P energy: -136.880 bonds (distance) P-C4' energy: -148.566 flat angles C4'-P-C4' energy: -185.738 flat angles P-C4'-P energy: -99.396 tors. eta vs tors. theta energy: -174.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1753.119245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.119245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.119245 (E_RNA) where: Base-Base interactions energy: -1078.008 where: short stacking energy: -473.292 Base-Backbone interact. energy: -1.361 local terms energy: -673.750476 where: bonds (distance) C4'-P energy: -144.887 bonds (distance) P-C4' energy: -179.941 flat angles C4'-P-C4' energy: -155.714 flat angles P-C4'-P energy: -106.420 tors. eta vs tors. theta energy: -86.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1261.020787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.020787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.020787 (E_RNA) where: Base-Base interactions energy: -691.825 where: short stacking energy: -364.761 Base-Backbone interact. energy: -2.622 local terms energy: -566.573119 where: bonds (distance) C4'-P energy: -141.263 bonds (distance) P-C4' energy: -152.251 flat angles C4'-P-C4' energy: -144.423 flat angles P-C4'-P energy: -85.912 tors. eta vs tors. theta energy: -42.725 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: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -976.094543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.094543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.094543 (E_RNA) where: Base-Base interactions energy: -464.529 where: short stacking energy: -260.939 Base-Backbone interact. energy: 4.374 local terms energy: -515.938995 where: bonds (distance) C4'-P energy: -161.839 bonds (distance) P-C4' energy: -158.901 flat angles C4'-P-C4' energy: -136.107 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: 12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -750.405363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.405363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.405363 (E_RNA) where: Base-Base interactions energy: -267.415 where: short stacking energy: -175.264 Base-Backbone interact. energy: -1.680 local terms energy: -481.310549 where: bonds (distance) C4'-P energy: -149.423 bonds (distance) P-C4' energy: -171.009 flat angles C4'-P-C4' energy: -123.542 flat angles P-C4'-P energy: -79.781 tors. eta vs tors. theta energy: 42.444 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: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3135.214828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.214828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.214828 (E_RNA) where: Base-Base interactions energy: -2166.513 where: short stacking energy: -928.245 Base-Backbone interact. energy: -4.727 local terms energy: -963.975585 where: bonds (distance) C4'-P energy: -172.414 bonds (distance) P-C4' energy: -170.260 flat angles C4'-P-C4' energy: -210.356 flat angles P-C4'-P energy: -148.023 tors. eta vs tors. theta energy: -262.923 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: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3014.328582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.328582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.328582 (E_RNA) where: Base-Base interactions energy: -2049.023 where: short stacking energy: -903.780 Base-Backbone interact. energy: -4.038 local terms energy: -961.268054 where: bonds (distance) C4'-P energy: -165.065 bonds (distance) P-C4' energy: -179.556 flat angles C4'-P-C4' energy: -220.382 flat angles P-C4'-P energy: -131.587 tors. eta vs tors. theta energy: -264.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2821.149092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.149092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.149092 (E_RNA) where: Base-Base interactions energy: -1906.081 where: short stacking energy: -833.638 Base-Backbone interact. energy: 0.484 local terms energy: -915.551370 where: bonds (distance) C4'-P energy: -157.882 bonds (distance) P-C4' energy: -178.023 flat angles C4'-P-C4' energy: -205.599 flat angles P-C4'-P energy: -123.421 tors. eta vs tors. theta energy: -250.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2708.096775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.096775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.096775 (E_RNA) where: Base-Base interactions energy: -1830.067 where: short stacking energy: -829.552 Base-Backbone interact. energy: 3.902 local terms energy: -881.931799 where: bonds (distance) C4'-P energy: -165.550 bonds (distance) P-C4' energy: -160.360 flat angles C4'-P-C4' energy: -185.488 flat angles P-C4'-P energy: -135.132 tors. eta vs tors. theta energy: -235.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2551.933372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.933372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.933372 (E_RNA) where: Base-Base interactions energy: -1713.715 where: short stacking energy: -756.623 Base-Backbone interact. energy: 7.146 local terms energy: -845.363504 where: bonds (distance) C4'-P energy: -162.441 bonds (distance) P-C4' energy: -157.777 flat angles C4'-P-C4' energy: -190.498 flat angles P-C4'-P energy: -112.067 tors. eta vs tors. theta energy: -222.582 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: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2177.197846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.197846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.197846 (E_RNA) where: Base-Base interactions energy: -1387.133 where: short stacking energy: -620.728 Base-Backbone interact. energy: -1.197 local terms energy: -788.867402 where: bonds (distance) C4'-P energy: -167.859 bonds (distance) P-C4' energy: -177.315 flat angles C4'-P-C4' energy: -173.166 flat angles P-C4'-P energy: -108.393 tors. eta vs tors. theta energy: -162.134 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: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1779.604011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.604011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.604011 (E_RNA) where: Base-Base interactions energy: -1149.448 where: short stacking energy: -524.017 Base-Backbone interact. energy: -0.478 local terms energy: -629.678260 where: bonds (distance) C4'-P energy: -142.453 bonds (distance) P-C4' energy: -148.927 flat angles C4'-P-C4' energy: -151.043 flat angles P-C4'-P energy: -90.958 tors. eta vs tors. theta energy: -96.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1303.568923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.568923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.568923 (E_RNA) where: Base-Base interactions energy: -742.205 where: short stacking energy: -343.430 Base-Backbone interact. energy: -3.461 local terms energy: -557.903183 where: bonds (distance) C4'-P energy: -165.367 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -135.694 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -47.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -994.577904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.577904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.577904 (E_RNA) where: Base-Base interactions energy: -514.547 where: short stacking energy: -295.631 Base-Backbone interact. energy: 4.723 local terms energy: -484.753652 where: bonds (distance) C4'-P energy: -142.535 bonds (distance) P-C4' energy: -149.421 flat angles C4'-P-C4' energy: -105.686 flat angles P-C4'-P energy: -90.815 tors. eta vs tors. theta energy: 3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -743.873093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.873093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.873093 (E_RNA) where: Base-Base interactions energy: -285.278 where: short stacking energy: -202.698 Base-Backbone interact. energy: -2.482 local terms energy: -456.113217 where: bonds (distance) C4'-P energy: -129.923 bonds (distance) P-C4' energy: -161.835 flat angles C4'-P-C4' energy: -135.489 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: 43.721 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: 364 Temperature: 0.900000 Total energy: -3187.758354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.758354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.758354 (E_RNA) where: Base-Base interactions energy: -2187.062 where: short stacking energy: -936.735 Base-Backbone interact. energy: 0.645 local terms energy: -1001.341306 where: bonds (distance) C4'-P energy: -175.778 bonds (distance) P-C4' energy: -185.734 flat angles C4'-P-C4' energy: -214.416 flat angles P-C4'-P energy: -148.879 tors. eta vs tors. theta energy: -276.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3009.197112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.197112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.197112 (E_RNA) where: Base-Base interactions energy: -2051.373 where: short stacking energy: -865.889 Base-Backbone interact. energy: -5.032 local terms energy: -952.791863 where: bonds (distance) C4'-P energy: -175.363 bonds (distance) P-C4' energy: -173.449 flat angles C4'-P-C4' energy: -209.181 flat angles P-C4'-P energy: -133.481 tors. eta vs tors. theta energy: -261.318 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: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2862.582755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.582755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.582755 (E_RNA) where: Base-Base interactions energy: -1937.612 where: short stacking energy: -827.588 Base-Backbone interact. energy: -1.854 local terms energy: -923.116562 where: bonds (distance) C4'-P energy: -153.268 bonds (distance) P-C4' energy: -189.438 flat angles C4'-P-C4' energy: -199.858 flat angles P-C4'-P energy: -138.367 tors. eta vs tors. theta energy: -242.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2678.827712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.827712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.827712 (E_RNA) where: Base-Base interactions energy: -1762.183 where: short stacking energy: -773.663 Base-Backbone interact. energy: -3.371 local terms energy: -913.273916 where: bonds (distance) C4'-P energy: -160.182 bonds (distance) P-C4' energy: -175.176 flat angles C4'-P-C4' energy: -203.955 flat angles P-C4'-P energy: -127.754 tors. eta vs tors. theta energy: -246.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2522.553450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.553450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.553450 (E_RNA) where: Base-Base interactions energy: -1716.538 where: short stacking energy: -733.935 Base-Backbone interact. energy: -1.670 local terms energy: -804.345725 where: bonds (distance) C4'-P energy: -154.681 bonds (distance) P-C4' energy: -135.598 flat angles C4'-P-C4' energy: -183.755 flat angles P-C4'-P energy: -109.386 tors. eta vs tors. theta energy: -220.925 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: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2141.549753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.549753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.549753 (E_RNA) where: Base-Base interactions energy: -1397.375 where: short stacking energy: -631.843 Base-Backbone interact. energy: 0.257 local terms energy: -744.431528 where: bonds (distance) C4'-P energy: -150.177 bonds (distance) P-C4' energy: -151.136 flat angles C4'-P-C4' energy: -182.901 flat angles P-C4'-P energy: -103.396 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: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1753.011859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.011859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.011859 (E_RNA) where: Base-Base interactions energy: -1074.766 where: short stacking energy: -496.455 Base-Backbone interact. energy: -3.288 local terms energy: -674.958505 where: bonds (distance) C4'-P energy: -159.918 bonds (distance) P-C4' energy: -156.462 flat angles C4'-P-C4' energy: -167.758 flat angles P-C4'-P energy: -88.455 tors. eta vs tors. theta energy: -102.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1441.683258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.683258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.683258 (E_RNA) where: Base-Base interactions energy: -853.941 where: short stacking energy: -409.622 Base-Backbone interact. energy: -0.726 local terms energy: -587.015664 where: bonds (distance) C4'-P energy: -117.335 bonds (distance) P-C4' energy: -167.758 flat angles C4'-P-C4' energy: -129.923 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -71.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -947.401529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.401529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.401529 (E_RNA) where: Base-Base interactions energy: -443.618 where: short stacking energy: -282.786 Base-Backbone interact. energy: 1.613 local terms energy: -505.395855 where: bonds (distance) C4'-P energy: -124.205 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -122.441 flat angles P-C4'-P energy: -83.556 tors. eta vs tors. theta energy: -14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -702.725319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.725319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.725319 (E_RNA) where: Base-Base interactions energy: -239.662 where: short stacking energy: -157.508 Base-Backbone interact. energy: 2.075 local terms energy: -465.137729 where: bonds (distance) C4'-P energy: -150.977 bonds (distance) P-C4' energy: -166.983 flat angles C4'-P-C4' energy: -130.259 flat angles P-C4'-P energy: -68.596 tors. eta vs tors. theta energy: 51.677 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: 1, replica: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3151.988318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.988318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.988318 (E_RNA) where: Base-Base interactions energy: -2179.722 where: short stacking energy: -914.848 Base-Backbone interact. energy: -4.773 local terms energy: -967.493614 where: bonds (distance) C4'-P energy: -183.562 bonds (distance) P-C4' energy: -168.588 flat angles C4'-P-C4' energy: -201.810 flat angles P-C4'-P energy: -138.474 tors. eta vs tors. theta energy: -275.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3016.060922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.060922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.060922 (E_RNA) where: Base-Base interactions energy: -2056.701 where: short stacking energy: -909.659 Base-Backbone interact. energy: -4.859 local terms energy: -954.501642 where: bonds (distance) C4'-P energy: -170.070 bonds (distance) P-C4' energy: -181.423 flat angles C4'-P-C4' energy: -192.356 flat angles P-C4'-P energy: -136.192 tors. eta vs tors. theta energy: -274.460 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: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2868.744073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.744073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.744073 (E_RNA) where: Base-Base interactions energy: -1918.659 where: short stacking energy: -851.598 Base-Backbone interact. energy: -0.949 local terms energy: -949.135797 where: bonds (distance) C4'-P energy: -164.886 bonds (distance) P-C4' energy: -186.514 flat angles C4'-P-C4' energy: -204.762 flat angles P-C4'-P energy: -141.443 tors. eta vs tors. theta energy: -251.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2656.478434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.478434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.478434 (E_RNA) where: Base-Base interactions energy: -1796.806 where: short stacking energy: -762.507 Base-Backbone interact. energy: -0.539 local terms energy: -859.133848 where: bonds (distance) C4'-P energy: -169.630 bonds (distance) P-C4' energy: -178.861 flat angles C4'-P-C4' energy: -178.300 flat angles P-C4'-P energy: -107.258 tors. eta vs tors. theta energy: -225.084 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: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2524.669758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.669758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.669758 (E_RNA) where: Base-Base interactions energy: -1721.496 where: short stacking energy: -766.361 Base-Backbone interact. energy: -2.689 local terms energy: -800.485002 where: bonds (distance) C4'-P energy: -143.714 bonds (distance) P-C4' energy: -148.487 flat angles C4'-P-C4' energy: -184.391 flat angles P-C4'-P energy: -104.226 tors. eta vs tors. theta energy: -219.666 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: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2146.939447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.939447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.939447 (E_RNA) where: Base-Base interactions energy: -1362.784 where: short stacking energy: -631.421 Base-Backbone interact. energy: -1.426 local terms energy: -782.730138 where: bonds (distance) C4'-P energy: -163.397 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -191.916 flat angles P-C4'-P energy: -109.721 tors. eta vs tors. theta energy: -163.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1800.527013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.527013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.527013 (E_RNA) where: Base-Base interactions energy: -1149.828 where: short stacking energy: -502.065 Base-Backbone interact. energy: 0.212 local terms energy: -650.910971 where: bonds (distance) C4'-P energy: -155.173 bonds (distance) P-C4' energy: -140.841 flat angles C4'-P-C4' energy: -175.711 flat angles P-C4'-P energy: -84.619 tors. eta vs tors. theta energy: -94.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1497.040318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.040318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.040318 (E_RNA) where: Base-Base interactions energy: -884.073 where: short stacking energy: -435.011 Base-Backbone interact. energy: 4.737 local terms energy: -617.704098 where: bonds (distance) C4'-P energy: -137.456 bonds (distance) P-C4' energy: -160.764 flat angles C4'-P-C4' energy: -159.392 flat angles P-C4'-P energy: -98.512 tors. eta vs tors. theta energy: -61.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -955.576743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.576743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.576743 (E_RNA) where: Base-Base interactions energy: -463.321 where: short stacking energy: -262.961 Base-Backbone interact. energy: 8.052 local terms energy: -500.307758 where: bonds (distance) C4'-P energy: -152.465 bonds (distance) P-C4' energy: -177.754 flat angles C4'-P-C4' energy: -109.370 flat angles P-C4'-P energy: -68.600 tors. eta vs tors. theta energy: 7.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -784.982039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.982039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.982039 (E_RNA) where: Base-Base interactions energy: -323.355 where: short stacking energy: -197.258 Base-Backbone interact. energy: 2.786 local terms energy: -464.413184 where: bonds (distance) C4'-P energy: -147.979 bonds (distance) P-C4' energy: -156.473 flat angles C4'-P-C4' energy: -128.170 flat angles P-C4'-P energy: -63.608 tors. eta vs tors. theta energy: 31.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3154.945433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.945433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.945433 (E_RNA) where: Base-Base interactions energy: -2176.554 where: short stacking energy: -954.362 Base-Backbone interact. energy: -0.771 local terms energy: -977.620861 where: bonds (distance) C4'-P energy: -181.079 bonds (distance) P-C4' energy: -176.679 flat angles C4'-P-C4' energy: -210.631 flat angles P-C4'-P energy: -140.498 tors. eta vs tors. theta energy: -268.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3013.383702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.383702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.383702 (E_RNA) where: Base-Base interactions energy: -2051.685 where: short stacking energy: -912.449 Base-Backbone interact. energy: -4.739 local terms energy: -956.959526 where: bonds (distance) C4'-P energy: -170.408 bonds (distance) P-C4' energy: -169.921 flat angles C4'-P-C4' energy: -221.049 flat angles P-C4'-P energy: -121.285 tors. eta vs tors. theta energy: -274.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2899.038635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.038635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.038635 (E_RNA) where: Base-Base interactions energy: -1987.653 where: short stacking energy: -876.067 Base-Backbone interact. energy: -3.957 local terms energy: -907.428471 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -160.521 flat angles C4'-P-C4' energy: -204.623 flat angles P-C4'-P energy: -148.414 tors. eta vs tors. theta energy: -251.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2655.723266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.723266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.723266 (E_RNA) where: Base-Base interactions energy: -1772.113 where: short stacking energy: -797.310 Base-Backbone interact. energy: -1.091 local terms energy: -882.519225 where: bonds (distance) C4'-P energy: -175.464 bonds (distance) P-C4' energy: -176.823 flat angles C4'-P-C4' energy: -182.968 flat angles P-C4'-P energy: -117.503 tors. eta vs tors. theta energy: -229.761 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: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2552.874991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.874991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.874991 (E_RNA) where: Base-Base interactions energy: -1693.143 where: short stacking energy: -754.780 Base-Backbone interact. energy: -3.119 local terms energy: -856.612641 where: bonds (distance) C4'-P energy: -160.971 bonds (distance) P-C4' energy: -184.625 flat angles C4'-P-C4' energy: -173.152 flat angles P-C4'-P energy: -104.735 tors. eta vs tors. theta energy: -233.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2157.164618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.164618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.164618 (E_RNA) where: Base-Base interactions energy: -1391.043 where: short stacking energy: -622.650 Base-Backbone interact. energy: -2.563 local terms energy: -763.558985 where: bonds (distance) C4'-P energy: -163.446 bonds (distance) P-C4' energy: -172.769 flat angles C4'-P-C4' energy: -176.274 flat angles P-C4'-P energy: -100.893 tors. eta vs tors. theta energy: -150.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1884.785540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.785540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.785540 (E_RNA) where: Base-Base interactions energy: -1207.739 where: short stacking energy: -533.677 Base-Backbone interact. energy: 4.665 local terms energy: -681.711482 where: bonds (distance) C4'-P energy: -131.295 bonds (distance) P-C4' energy: -161.499 flat angles C4'-P-C4' energy: -175.858 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -110.468 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: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1487.168306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.168306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.168306 (E_RNA) where: Base-Base interactions energy: -878.831 where: short stacking energy: -397.833 Base-Backbone interact. energy: -0.677 local terms energy: -607.660717 where: bonds (distance) C4'-P energy: -147.354 bonds (distance) P-C4' energy: -188.915 flat angles C4'-P-C4' energy: -126.311 flat angles P-C4'-P energy: -88.922 tors. eta vs tors. theta energy: -56.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -921.740278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.740278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.740278 (E_RNA) where: Base-Base interactions energy: -451.597 where: short stacking energy: -276.901 Base-Backbone interact. energy: 3.536 local terms energy: -473.679037 where: bonds (distance) C4'-P energy: -153.106 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -105.169 flat angles P-C4'-P energy: -83.458 tors. eta vs tors. theta energy: 15.790 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: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -739.156493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.156493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.156493 (E_RNA) where: Base-Base interactions energy: -279.240 where: short stacking energy: -199.953 Base-Backbone interact. energy: 5.709 local terms energy: -465.625944 where: bonds (distance) C4'-P energy: -140.430 bonds (distance) P-C4' energy: -157.527 flat angles C4'-P-C4' energy: -108.362 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: 16.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3110.194532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.194532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.194532 (E_RNA) where: Base-Base interactions energy: -2121.610 where: short stacking energy: -887.646 Base-Backbone interact. energy: 0.049 local terms energy: -988.633883 where: bonds (distance) C4'-P energy: -185.401 bonds (distance) P-C4' energy: -175.355 flat angles C4'-P-C4' energy: -217.652 flat angles P-C4'-P energy: -147.703 tors. eta vs tors. theta energy: -262.523 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: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3035.928194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.928194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.928194 (E_RNA) where: Base-Base interactions energy: -2097.516 where: short stacking energy: -917.861 Base-Backbone interact. energy: -4.603 local terms energy: -933.808782 where: bonds (distance) C4'-P energy: -153.850 bonds (distance) P-C4' energy: -188.312 flat angles C4'-P-C4' energy: -204.403 flat angles P-C4'-P energy: -121.927 tors. eta vs tors. theta energy: -265.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2913.585039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.585039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.585039 (E_RNA) where: Base-Base interactions energy: -1959.795 where: short stacking energy: -842.405 Base-Backbone interact. energy: -2.796 local terms energy: -950.994409 where: bonds (distance) C4'-P energy: -185.654 bonds (distance) P-C4' energy: -170.152 flat angles C4'-P-C4' energy: -201.704 flat angles P-C4'-P energy: -143.055 tors. eta vs tors. theta energy: -250.430 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: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2660.961135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.961135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.961135 (E_RNA) where: Base-Base interactions energy: -1799.119 where: short stacking energy: -764.240 Base-Backbone interact. energy: -1.854 local terms energy: -859.988152 where: bonds (distance) C4'-P energy: -159.387 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -193.442 flat angles P-C4'-P energy: -120.675 tors. eta vs tors. theta energy: -229.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2543.035647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.035647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.035647 (E_RNA) where: Base-Base interactions energy: -1690.326 where: short stacking energy: -750.463 Base-Backbone interact. energy: -2.668 local terms energy: -850.041594 where: bonds (distance) C4'-P energy: -153.516 bonds (distance) P-C4' energy: -175.978 flat angles C4'-P-C4' energy: -197.971 flat angles P-C4'-P energy: -109.314 tors. eta vs tors. theta energy: -213.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2158.877823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.877823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.877823 (E_RNA) where: Base-Base interactions energy: -1404.383 where: short stacking energy: -596.413 Base-Backbone interact. energy: -1.437 local terms energy: -753.057412 where: bonds (distance) C4'-P energy: -162.149 bonds (distance) P-C4' energy: -185.115 flat angles C4'-P-C4' energy: -159.996 flat angles P-C4'-P energy: -104.422 tors. eta vs tors. theta energy: -141.375 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: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1814.621588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.621588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.621588 (E_RNA) where: Base-Base interactions energy: -1126.318 where: short stacking energy: -486.820 Base-Backbone interact. energy: 0.515 local terms energy: -688.818696 where: bonds (distance) C4'-P energy: -172.710 bonds (distance) P-C4' energy: -177.886 flat angles C4'-P-C4' energy: -170.376 flat angles P-C4'-P energy: -79.774 tors. eta vs tors. theta energy: -88.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1466.877769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.877769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.877769 (E_RNA) where: Base-Base interactions energy: -885.192 where: short stacking energy: -416.165 Base-Backbone interact. energy: 0.592 local terms energy: -582.277871 where: bonds (distance) C4'-P energy: -121.383 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -135.177 flat angles P-C4'-P energy: -97.194 tors. eta vs tors. theta energy: -68.745 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: 9, replica: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -929.151305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.151305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.151305 (E_RNA) where: Base-Base interactions energy: -432.026 where: short stacking energy: -245.130 Base-Backbone interact. energy: -0.912 local terms energy: -496.213338 where: bonds (distance) C4'-P energy: -144.882 bonds (distance) P-C4' energy: -150.568 flat angles C4'-P-C4' energy: -124.482 flat angles P-C4'-P energy: -85.209 tors. eta vs tors. theta energy: 8.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -726.956094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.956094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.956094 (E_RNA) where: Base-Base interactions energy: -274.650 where: short stacking energy: -198.513 Base-Backbone interact. energy: 2.470 local terms energy: -454.775710 where: bonds (distance) C4'-P energy: -140.971 bonds (distance) P-C4' energy: -166.371 flat angles C4'-P-C4' energy: -124.413 flat angles P-C4'-P energy: -55.324 tors. eta vs tors. theta energy: 32.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3114.831742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.831742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.831742 (E_RNA) where: Base-Base interactions energy: -2117.255 where: short stacking energy: -909.288 Base-Backbone interact. energy: -3.276 local terms energy: -994.301069 where: bonds (distance) C4'-P energy: -187.991 bonds (distance) P-C4' energy: -186.235 flat angles C4'-P-C4' energy: -209.028 flat angles P-C4'-P energy: -137.774 tors. eta vs tors. theta energy: -273.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3009.222175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.222175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.222175 (E_RNA) where: Base-Base interactions energy: -2040.831 where: short stacking energy: -903.151 Base-Backbone interact. energy: -1.543 local terms energy: -966.847891 where: bonds (distance) C4'-P energy: -183.338 bonds (distance) P-C4' energy: -160.465 flat angles C4'-P-C4' energy: -204.948 flat angles P-C4'-P energy: -144.026 tors. eta vs tors. theta energy: -274.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2908.878601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.878601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.878601 (E_RNA) where: Base-Base interactions energy: -1970.815 where: short stacking energy: -856.804 Base-Backbone interact. energy: 3.641 local terms energy: -941.705280 where: bonds (distance) C4'-P energy: -171.727 bonds (distance) P-C4' energy: -176.673 flat angles C4'-P-C4' energy: -205.981 flat angles P-C4'-P energy: -135.830 tors. eta vs tors. theta energy: -251.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2657.383107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.383107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.383107 (E_RNA) where: Base-Base interactions energy: -1778.335 where: short stacking energy: -767.301 Base-Backbone interact. energy: -1.989 local terms energy: -877.059612 where: bonds (distance) C4'-P energy: -174.728 bonds (distance) P-C4' energy: -172.154 flat angles C4'-P-C4' energy: -180.035 flat angles P-C4'-P energy: -134.192 tors. eta vs tors. theta energy: -215.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2486.246492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.246492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.246492 (E_RNA) where: Base-Base interactions energy: -1640.331 where: short stacking energy: -743.299 Base-Backbone interact. energy: 3.817 local terms energy: -849.732750 where: bonds (distance) C4'-P energy: -170.502 bonds (distance) P-C4' energy: -177.794 flat angles C4'-P-C4' energy: -191.200 flat angles P-C4'-P energy: -97.251 tors. eta vs tors. theta energy: -212.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2121.021739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.021739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.021739 (E_RNA) where: Base-Base interactions energy: -1394.024 where: short stacking energy: -630.118 Base-Backbone interact. energy: 5.314 local terms energy: -732.311754 where: bonds (distance) C4'-P energy: -150.806 bonds (distance) P-C4' energy: -147.264 flat angles C4'-P-C4' energy: -161.022 flat angles P-C4'-P energy: -108.625 tors. eta vs tors. theta energy: -164.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1813.087925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.087925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.087925 (E_RNA) where: Base-Base interactions energy: -1160.304 where: short stacking energy: -510.005 Base-Backbone interact. energy: -5.542 local terms energy: -647.242308 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -149.365 flat angles C4'-P-C4' energy: -156.560 flat angles P-C4'-P energy: -87.544 tors. eta vs tors. theta energy: -107.776 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: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1603.488530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.488530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.488530 (E_RNA) where: Base-Base interactions energy: -1006.120 where: short stacking energy: -472.502 Base-Backbone interact. energy: -0.944 local terms energy: -596.424283 where: bonds (distance) C4'-P energy: -159.174 bonds (distance) P-C4' energy: -161.762 flat angles C4'-P-C4' energy: -132.173 flat angles P-C4'-P energy: -69.364 tors. eta vs tors. theta energy: -73.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -914.599835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.599835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.599835 (E_RNA) where: Base-Base interactions energy: -424.387 where: short stacking energy: -252.309 Base-Backbone interact. energy: -1.873 local terms energy: -488.339536 where: bonds (distance) C4'-P energy: -157.465 bonds (distance) P-C4' energy: -137.384 flat angles C4'-P-C4' energy: -108.695 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -5.091 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: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -791.475810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.475810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.475810 (E_RNA) where: Base-Base interactions energy: -352.679 where: short stacking energy: -212.952 Base-Backbone interact. energy: 14.053 local terms energy: -452.850279 where: bonds (distance) C4'-P energy: -145.041 bonds (distance) P-C4' energy: -144.018 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -60.768 tors. eta vs tors. theta energy: 39.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3117.894641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.894641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.894641 (E_RNA) where: Base-Base interactions energy: -2137.502 where: short stacking energy: -939.430 Base-Backbone interact. energy: 0.049 local terms energy: -980.442008 where: bonds (distance) C4'-P energy: -188.402 bonds (distance) P-C4' energy: -194.499 flat angles C4'-P-C4' energy: -203.087 flat angles P-C4'-P energy: -126.986 tors. eta vs tors. theta energy: -267.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3013.620793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.620793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.620793 (E_RNA) where: Base-Base interactions energy: -2036.434 where: short stacking energy: -868.317 Base-Backbone interact. energy: -1.871 local terms energy: -975.315130 where: bonds (distance) C4'-P energy: -185.058 bonds (distance) P-C4' energy: -181.083 flat angles C4'-P-C4' energy: -212.935 flat angles P-C4'-P energy: -138.782 tors. eta vs tors. theta energy: -257.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2872.822245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.822245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.822245 (E_RNA) where: Base-Base interactions energy: -1976.078 where: short stacking energy: -862.393 Base-Backbone interact. energy: 2.311 local terms energy: -899.055260 where: bonds (distance) C4'-P energy: -156.740 bonds (distance) P-C4' energy: -176.484 flat angles C4'-P-C4' energy: -198.388 flat angles P-C4'-P energy: -122.417 tors. eta vs tors. theta energy: -245.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2664.716209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.716209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.716209 (E_RNA) where: Base-Base interactions energy: -1827.267 where: short stacking energy: -802.261 Base-Backbone interact. energy: 0.611 local terms energy: -838.059673 where: bonds (distance) C4'-P energy: -148.053 bonds (distance) P-C4' energy: -146.469 flat angles C4'-P-C4' energy: -199.478 flat angles P-C4'-P energy: -118.580 tors. eta vs tors. theta energy: -225.480 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: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2457.195658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.195658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.195658 (E_RNA) where: Base-Base interactions energy: -1655.597 where: short stacking energy: -684.714 Base-Backbone interact. energy: 1.756 local terms energy: -803.354366 where: bonds (distance) C4'-P energy: -146.745 bonds (distance) P-C4' energy: -170.437 flat angles C4'-P-C4' energy: -180.660 flat angles P-C4'-P energy: -107.027 tors. eta vs tors. theta energy: -198.484 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: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2163.897706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.897706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.897706 (E_RNA) where: Base-Base interactions energy: -1418.577 where: short stacking energy: -619.412 Base-Backbone interact. energy: -1.749 local terms energy: -743.571087 where: bonds (distance) C4'-P energy: -146.887 bonds (distance) P-C4' energy: -166.147 flat angles C4'-P-C4' energy: -174.039 flat angles P-C4'-P energy: -111.799 tors. eta vs tors. theta energy: -144.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1765.040860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.040860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.040860 (E_RNA) where: Base-Base interactions energy: -1083.016 where: short stacking energy: -489.049 Base-Backbone interact. energy: 0.760 local terms energy: -682.784084 where: bonds (distance) C4'-P energy: -164.248 bonds (distance) P-C4' energy: -163.312 flat angles C4'-P-C4' energy: -152.732 flat angles P-C4'-P energy: -93.000 tors. eta vs tors. theta energy: -109.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1567.863995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.863995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.863995 (E_RNA) where: Base-Base interactions energy: -990.219 where: short stacking energy: -429.407 Base-Backbone interact. energy: -2.669 local terms energy: -574.975635 where: bonds (distance) C4'-P energy: -133.510 bonds (distance) P-C4' energy: -145.334 flat angles C4'-P-C4' energy: -133.499 flat angles P-C4'-P energy: -94.800 tors. eta vs tors. theta energy: -67.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -916.677865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.677865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.677865 (E_RNA) where: Base-Base interactions energy: -405.229 where: short stacking energy: -237.069 Base-Backbone interact. energy: 0.080 local terms energy: -511.529662 where: bonds (distance) C4'-P energy: -139.651 bonds (distance) P-C4' energy: -146.789 flat angles C4'-P-C4' energy: -140.012 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: 18.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -782.002634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.002634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.002634 (E_RNA) where: Base-Base interactions energy: -314.845 where: short stacking energy: -209.997 Base-Backbone interact. energy: -0.351 local terms energy: -466.806130 where: bonds (distance) C4'-P energy: -136.226 bonds (distance) P-C4' energy: -147.384 flat angles C4'-P-C4' energy: -128.922 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: 32.941 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: 370 Temperature: 0.900000 Total energy: -3114.985901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.985901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.985901 (E_RNA) where: Base-Base interactions energy: -2126.636 where: short stacking energy: -907.757 Base-Backbone interact. energy: -2.123 local terms energy: -986.227041 where: bonds (distance) C4'-P energy: -185.524 bonds (distance) P-C4' energy: -183.220 flat angles C4'-P-C4' energy: -214.721 flat angles P-C4'-P energy: -145.125 tors. eta vs tors. theta energy: -257.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3046.716435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.716435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.716435 (E_RNA) where: Base-Base interactions energy: -2063.811 where: short stacking energy: -889.950 Base-Backbone interact. energy: -1.470 local terms energy: -981.435546 where: bonds (distance) C4'-P energy: -179.139 bonds (distance) P-C4' energy: -192.542 flat angles C4'-P-C4' energy: -203.521 flat angles P-C4'-P energy: -134.662 tors. eta vs tors. theta energy: -271.571 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: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2864.609454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.609454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.609454 (E_RNA) where: Base-Base interactions energy: -1958.402 where: short stacking energy: -863.625 Base-Backbone interact. energy: 2.012 local terms energy: -908.219088 where: bonds (distance) C4'-P energy: -172.802 bonds (distance) P-C4' energy: -150.872 flat angles C4'-P-C4' energy: -202.495 flat angles P-C4'-P energy: -126.302 tors. eta vs tors. theta energy: -255.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2695.800580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.800580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.800580 (E_RNA) where: Base-Base interactions energy: -1778.092 where: short stacking energy: -793.933 Base-Backbone interact. energy: -4.845 local terms energy: -912.863648 where: bonds (distance) C4'-P energy: -185.274 bonds (distance) P-C4' energy: -181.290 flat angles C4'-P-C4' energy: -186.835 flat angles P-C4'-P energy: -132.157 tors. eta vs tors. theta energy: -227.308 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: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2463.979376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.979376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.979376 (E_RNA) where: Base-Base interactions energy: -1639.384 where: short stacking energy: -717.566 Base-Backbone interact. energy: -4.911 local terms energy: -819.684350 where: bonds (distance) C4'-P energy: -146.310 bonds (distance) P-C4' energy: -177.251 flat angles C4'-P-C4' energy: -183.975 flat angles P-C4'-P energy: -116.916 tors. eta vs tors. theta energy: -195.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2207.727309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.727309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.727309 (E_RNA) where: Base-Base interactions energy: -1426.704 where: short stacking energy: -631.314 Base-Backbone interact. energy: -4.612 local terms energy: -776.411586 where: bonds (distance) C4'-P energy: -166.230 bonds (distance) P-C4' energy: -166.199 flat angles C4'-P-C4' energy: -192.000 flat angles P-C4'-P energy: -83.655 tors. eta vs tors. theta energy: -168.328 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: 7, replica: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1817.863109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.863109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.863109 (E_RNA) where: Base-Base interactions energy: -1192.997 where: short stacking energy: -524.416 Base-Backbone interact. energy: -0.075 local terms energy: -624.791608 where: bonds (distance) C4'-P energy: -125.645 bonds (distance) P-C4' energy: -177.939 flat angles C4'-P-C4' energy: -154.537 flat angles P-C4'-P energy: -81.927 tors. eta vs tors. theta energy: -84.743 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: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1535.742025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.742025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.742025 (E_RNA) where: Base-Base interactions energy: -959.869 where: short stacking energy: -447.577 Base-Backbone interact. energy: -1.630 local terms energy: -574.243330 where: bonds (distance) C4'-P energy: -129.365 bonds (distance) P-C4' energy: -154.088 flat angles C4'-P-C4' energy: -135.871 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: -78.483 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: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -935.109745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.109745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.109745 (E_RNA) where: Base-Base interactions energy: -434.039 where: short stacking energy: -254.443 Base-Backbone interact. energy: -5.758 local terms energy: -495.312222 where: bonds (distance) C4'-P energy: -117.719 bonds (distance) P-C4' energy: -159.490 flat angles C4'-P-C4' energy: -135.937 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: 8.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -812.860604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.860604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.860604 (E_RNA) where: Base-Base interactions energy: -326.949 where: short stacking energy: -184.210 Base-Backbone interact. energy: 4.463 local terms energy: -490.374055 where: bonds (distance) C4'-P energy: -152.184 bonds (distance) P-C4' energy: -175.134 flat angles C4'-P-C4' energy: -118.694 flat angles P-C4'-P energy: -83.988 tors. eta vs tors. theta energy: 39.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3173.212482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.212482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.212482 (E_RNA) where: Base-Base interactions energy: -2180.692 where: short stacking energy: -957.214 Base-Backbone interact. energy: -5.505 local terms energy: -987.014925 where: bonds (distance) C4'-P energy: -178.119 bonds (distance) P-C4' energy: -197.373 flat angles C4'-P-C4' energy: -208.415 flat angles P-C4'-P energy: -136.179 tors. eta vs tors. theta energy: -266.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3031.056371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.056371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.056371 (E_RNA) where: Base-Base interactions energy: -2059.287 where: short stacking energy: -869.353 Base-Backbone interact. energy: -0.933 local terms energy: -970.836787 where: bonds (distance) C4'-P energy: -183.966 bonds (distance) P-C4' energy: -172.788 flat angles C4'-P-C4' energy: -201.209 flat angles P-C4'-P energy: -134.794 tors. eta vs tors. theta energy: -278.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2880.068473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.068473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.068473 (E_RNA) where: Base-Base interactions energy: -1950.384 where: short stacking energy: -860.759 Base-Backbone interact. energy: -3.107 local terms energy: -926.577748 where: bonds (distance) C4'-P energy: -176.996 bonds (distance) P-C4' energy: -169.884 flat angles C4'-P-C4' energy: -190.574 flat angles P-C4'-P energy: -139.578 tors. eta vs tors. theta energy: -249.546 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: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2666.519863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.519863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.519863 (E_RNA) where: Base-Base interactions energy: -1759.581 where: short stacking energy: -782.517 Base-Backbone interact. energy: 8.415 local terms energy: -915.353842 where: bonds (distance) C4'-P energy: -176.558 bonds (distance) P-C4' energy: -195.805 flat angles C4'-P-C4' energy: -195.178 flat angles P-C4'-P energy: -114.216 tors. eta vs tors. theta energy: -233.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2435.533960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.533960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.533960 (E_RNA) where: Base-Base interactions energy: -1619.077 where: short stacking energy: -709.490 Base-Backbone interact. energy: -1.277 local terms energy: -815.179329 where: bonds (distance) C4'-P energy: -153.331 bonds (distance) P-C4' energy: -171.840 flat angles C4'-P-C4' energy: -175.142 flat angles P-C4'-P energy: -120.640 tors. eta vs tors. theta energy: -194.226 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: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2185.178406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.178406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.178406 (E_RNA) where: Base-Base interactions energy: -1416.670 where: short stacking energy: -657.044 Base-Backbone interact. energy: 0.950 local terms energy: -769.458062 where: bonds (distance) C4'-P energy: -146.223 bonds (distance) P-C4' energy: -154.891 flat angles C4'-P-C4' energy: -170.788 flat angles P-C4'-P energy: -127.805 tors. eta vs tors. theta energy: -169.751 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: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1837.997161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.997161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.997161 (E_RNA) where: Base-Base interactions energy: -1177.924 where: short stacking energy: -521.499 Base-Backbone interact. energy: 2.742 local terms energy: -662.814592 where: bonds (distance) C4'-P energy: -147.443 bonds (distance) P-C4' energy: -149.438 flat angles C4'-P-C4' energy: -136.940 flat angles P-C4'-P energy: -105.994 tors. eta vs tors. theta energy: -123.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1557.918037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.918037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.918037 (E_RNA) where: Base-Base interactions energy: -983.632 where: short stacking energy: -450.727 Base-Backbone interact. energy: 2.549 local terms energy: -576.834864 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -159.164 flat angles C4'-P-C4' energy: -145.027 flat angles P-C4'-P energy: -102.408 tors. eta vs tors. theta energy: -52.437 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: 371 Temperature: 1.300000 Total energy: -960.270339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.270339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.270339 (E_RNA) where: Base-Base interactions energy: -482.504 where: short stacking energy: -264.095 Base-Backbone interact. energy: 4.130 local terms energy: -481.896852 where: bonds (distance) C4'-P energy: -143.776 bonds (distance) P-C4' energy: -149.977 flat angles C4'-P-C4' energy: -120.132 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -840.568833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.568833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.568833 (E_RNA) where: Base-Base interactions energy: -357.848 where: short stacking energy: -226.320 Base-Backbone interact. energy: 3.374 local terms energy: -486.095049 where: bonds (distance) C4'-P energy: -131.903 bonds (distance) P-C4' energy: -163.028 flat angles C4'-P-C4' energy: -145.671 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: 26.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3120.692571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.692571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.692571 (E_RNA) where: Base-Base interactions energy: -2141.251 where: short stacking energy: -933.529 Base-Backbone interact. energy: 0.800 local terms energy: -980.241396 where: bonds (distance) C4'-P energy: -179.556 bonds (distance) P-C4' energy: -174.990 flat angles C4'-P-C4' energy: -213.512 flat angles P-C4'-P energy: -135.489 tors. eta vs tors. theta energy: -276.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -3017.252715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.252715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.252715 (E_RNA) where: Base-Base interactions energy: -2063.682 where: short stacking energy: -887.182 Base-Backbone interact. energy: -4.485 local terms energy: -949.085967 where: bonds (distance) C4'-P energy: -181.564 bonds (distance) P-C4' energy: -175.214 flat angles C4'-P-C4' energy: -194.561 flat angles P-C4'-P energy: -129.604 tors. eta vs tors. theta energy: -268.143 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: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2857.236198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.236198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.236198 (E_RNA) where: Base-Base interactions energy: -1953.857 where: short stacking energy: -856.112 Base-Backbone interact. energy: -3.409 local terms energy: -899.969987 where: bonds (distance) C4'-P energy: -156.581 bonds (distance) P-C4' energy: -176.484 flat angles C4'-P-C4' energy: -183.450 flat angles P-C4'-P energy: -130.950 tors. eta vs tors. theta energy: -252.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2648.039784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.039784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.039784 (E_RNA) where: Base-Base interactions energy: -1792.390 where: short stacking energy: -804.595 Base-Backbone interact. energy: -2.931 local terms energy: -852.718963 where: bonds (distance) C4'-P energy: -162.195 bonds (distance) P-C4' energy: -165.103 flat angles C4'-P-C4' energy: -200.611 flat angles P-C4'-P energy: -114.600 tors. eta vs tors. theta energy: -210.210 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: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2502.235706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.235706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.235706 (E_RNA) where: Base-Base interactions energy: -1657.321 where: short stacking energy: -729.565 Base-Backbone interact. energy: -2.419 local terms energy: -842.495482 where: bonds (distance) C4'-P energy: -154.645 bonds (distance) P-C4' energy: -165.272 flat angles C4'-P-C4' energy: -192.086 flat angles P-C4'-P energy: -118.459 tors. eta vs tors. theta energy: -212.033 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: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2205.764869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.764869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.764869 (E_RNA) where: Base-Base interactions energy: -1424.028 where: short stacking energy: -639.910 Base-Backbone interact. energy: -1.568 local terms energy: -780.168668 where: bonds (distance) C4'-P energy: -162.705 bonds (distance) P-C4' energy: -152.546 flat angles C4'-P-C4' energy: -183.399 flat angles P-C4'-P energy: -113.507 tors. eta vs tors. theta energy: -168.012 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: 7, replica: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1786.932412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.932412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.932412 (E_RNA) where: Base-Base interactions energy: -1125.355 where: short stacking energy: -480.500 Base-Backbone interact. energy: -0.649 local terms energy: -660.928127 where: bonds (distance) C4'-P energy: -143.457 bonds (distance) P-C4' energy: -165.892 flat angles C4'-P-C4' energy: -152.842 flat angles P-C4'-P energy: -80.195 tors. eta vs tors. theta energy: -118.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1513.518266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.518266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.518266 (E_RNA) where: Base-Base interactions energy: -911.677 where: short stacking energy: -432.618 Base-Backbone interact. energy: 5.728 local terms energy: -607.568351 where: bonds (distance) C4'-P energy: -141.503 bonds (distance) P-C4' energy: -152.804 flat angles C4'-P-C4' energy: -149.261 flat angles P-C4'-P energy: -98.591 tors. eta vs tors. theta energy: -65.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -972.417500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.417500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.417500 (E_RNA) where: Base-Base interactions energy: -461.945 where: short stacking energy: -261.186 Base-Backbone interact. energy: 2.705 local terms energy: -513.177475 where: bonds (distance) C4'-P energy: -164.535 bonds (distance) P-C4' energy: -153.583 flat angles C4'-P-C4' energy: -121.590 flat angles P-C4'-P energy: -73.535 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -805.174064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.174064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.174064 (E_RNA) where: Base-Base interactions energy: -344.614 where: short stacking energy: -210.519 Base-Backbone interact. energy: 2.245 local terms energy: -462.805479 where: bonds (distance) C4'-P energy: -139.639 bonds (distance) P-C4' energy: -150.879 flat angles C4'-P-C4' energy: -122.134 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: 24.264 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: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3133.093813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.093813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.093813 (E_RNA) where: Base-Base interactions energy: -2145.915 where: short stacking energy: -927.588 Base-Backbone interact. energy: -5.384 local terms energy: -981.795491 where: bonds (distance) C4'-P energy: -177.541 bonds (distance) P-C4' energy: -180.095 flat angles C4'-P-C4' energy: -210.461 flat angles P-C4'-P energy: -145.023 tors. eta vs tors. theta energy: -268.676 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: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3009.686228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.686228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.686228 (E_RNA) where: Base-Base interactions energy: -2040.114 where: short stacking energy: -887.023 Base-Backbone interact. energy: 1.388 local terms energy: -970.960165 where: bonds (distance) C4'-P energy: -165.228 bonds (distance) P-C4' energy: -187.077 flat angles C4'-P-C4' energy: -204.525 flat angles P-C4'-P energy: -135.962 tors. eta vs tors. theta energy: -278.168 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: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2843.397405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.397405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.397405 (E_RNA) where: Base-Base interactions energy: -1943.868 where: short stacking energy: -854.709 Base-Backbone interact. energy: 0.993 local terms energy: -900.522964 where: bonds (distance) C4'-P energy: -172.012 bonds (distance) P-C4' energy: -170.221 flat angles C4'-P-C4' energy: -184.929 flat angles P-C4'-P energy: -122.901 tors. eta vs tors. theta energy: -250.460 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: 4, replica: 10 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2693.188355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.188355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.188355 (E_RNA) where: Base-Base interactions energy: -1786.467 where: short stacking energy: -817.961 Base-Backbone interact. energy: -3.081 local terms energy: -903.640630 where: bonds (distance) C4'-P energy: -146.179 bonds (distance) P-C4' energy: -175.579 flat angles C4'-P-C4' energy: -202.843 flat angles P-C4'-P energy: -125.337 tors. eta vs tors. theta energy: -253.702 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: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2442.904526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.904526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.904526 (E_RNA) where: Base-Base interactions energy: -1643.904 where: short stacking energy: -708.383 Base-Backbone interact. energy: 4.923 local terms energy: -803.924207 where: bonds (distance) C4'-P energy: -141.936 bonds (distance) P-C4' energy: -165.197 flat angles C4'-P-C4' energy: -177.557 flat angles P-C4'-P energy: -112.087 tors. eta vs tors. theta energy: -207.147 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: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2213.559731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.559731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.559731 (E_RNA) where: Base-Base interactions energy: -1428.884 where: short stacking energy: -615.286 Base-Backbone interact. energy: -2.217 local terms energy: -782.459338 where: bonds (distance) C4'-P energy: -150.863 bonds (distance) P-C4' energy: -169.224 flat angles C4'-P-C4' energy: -177.424 flat angles P-C4'-P energy: -119.312 tors. eta vs tors. theta energy: -165.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1779.480815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.480815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.480815 (E_RNA) where: Base-Base interactions energy: -1127.435 where: short stacking energy: -485.944 Base-Backbone interact. energy: -4.084 local terms energy: -647.961459 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -142.579 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -88.060 tors. eta vs tors. theta energy: -110.198 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1487.616264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.616264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.616264 (E_RNA) where: Base-Base interactions energy: -895.055 where: short stacking energy: -420.335 Base-Backbone interact. energy: 2.666 local terms energy: -595.227820 where: bonds (distance) C4'-P energy: -150.163 bonds (distance) P-C4' energy: -147.188 flat angles C4'-P-C4' energy: -151.096 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -54.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -987.919436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.919436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.919436 (E_RNA) where: Base-Base interactions energy: -483.002 where: short stacking energy: -268.035 Base-Backbone interact. energy: -4.515 local terms energy: -500.402237 where: bonds (distance) C4'-P energy: -140.703 bonds (distance) P-C4' energy: -140.487 flat angles C4'-P-C4' energy: -139.587 flat angles P-C4'-P energy: -77.053 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -787.265371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.265371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.265371 (E_RNA) where: Base-Base interactions energy: -343.461 where: short stacking energy: -196.727 Base-Backbone interact. energy: -2.580 local terms energy: -441.224438 where: bonds (distance) C4'-P energy: -122.914 bonds (distance) P-C4' energy: -141.034 flat angles C4'-P-C4' energy: -139.370 flat angles P-C4'-P energy: -69.473 tors. eta vs tors. theta energy: 31.566 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: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3125.958900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.958900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.958900 (E_RNA) where: Base-Base interactions energy: -2149.548 where: short stacking energy: -934.727 Base-Backbone interact. energy: -3.310 local terms energy: -973.101282 where: bonds (distance) C4'-P energy: -198.223 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -211.991 flat angles P-C4'-P energy: -140.986 tors. eta vs tors. theta energy: -256.310 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: 2, replica: 7 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -3033.755989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.755989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.755989 (E_RNA) where: Base-Base interactions energy: -2070.780 where: short stacking energy: -908.362 Base-Backbone interact. energy: 0.053 local terms energy: -963.029137 where: bonds (distance) C4'-P energy: -179.761 bonds (distance) P-C4' energy: -171.290 flat angles C4'-P-C4' energy: -204.553 flat angles P-C4'-P energy: -135.006 tors. eta vs tors. theta energy: -272.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2829.001031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.001031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.001031 (E_RNA) where: Base-Base interactions energy: -1922.245 where: short stacking energy: -830.654 Base-Backbone interact. energy: -3.489 local terms energy: -903.266278 where: bonds (distance) C4'-P energy: -142.547 bonds (distance) P-C4' energy: -171.317 flat angles C4'-P-C4' energy: -210.752 flat angles P-C4'-P energy: -134.667 tors. eta vs tors. theta energy: -243.983 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: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2559.888502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.888502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.888502 (E_RNA) where: Base-Base interactions energy: -1722.389 where: short stacking energy: -757.287 Base-Backbone interact. energy: -4.149 local terms energy: -833.350598 where: bonds (distance) C4'-P energy: -178.544 bonds (distance) P-C4' energy: -164.461 flat angles C4'-P-C4' energy: -177.548 flat angles P-C4'-P energy: -101.884 tors. eta vs tors. theta energy: -210.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2498.514076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.514076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.514076 (E_RNA) where: Base-Base interactions energy: -1675.174 where: short stacking energy: -681.751 Base-Backbone interact. energy: 1.140 local terms energy: -824.480384 where: bonds (distance) C4'-P energy: -187.256 bonds (distance) P-C4' energy: -142.439 flat angles C4'-P-C4' energy: -178.866 flat angles P-C4'-P energy: -111.373 tors. eta vs tors. theta energy: -204.547 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: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2182.432458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.432458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.432458 (E_RNA) where: Base-Base interactions energy: -1424.183 where: short stacking energy: -621.204 Base-Backbone interact. energy: 4.107 local terms energy: -762.356982 where: bonds (distance) C4'-P energy: -153.081 bonds (distance) P-C4' energy: -165.059 flat angles C4'-P-C4' energy: -166.347 flat angles P-C4'-P energy: -112.627 tors. eta vs tors. theta energy: -165.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1766.451312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.451312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.451312 (E_RNA) where: Base-Base interactions energy: -1106.158 where: short stacking energy: -483.747 Base-Backbone interact. energy: 1.102 local terms energy: -661.395498 where: bonds (distance) C4'-P energy: -161.449 bonds (distance) P-C4' energy: -153.162 flat angles C4'-P-C4' energy: -163.636 flat angles P-C4'-P energy: -98.837 tors. eta vs tors. theta energy: -84.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1499.003827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.003827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.003827 (E_RNA) where: Base-Base interactions energy: -887.941 where: short stacking energy: -424.068 Base-Backbone interact. energy: -3.620 local terms energy: -607.442587 where: bonds (distance) C4'-P energy: -152.928 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -77.552 tors. eta vs tors. theta energy: -69.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1024.434053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.434053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.434053 (E_RNA) where: Base-Base interactions energy: -512.180 where: short stacking energy: -285.104 Base-Backbone interact. energy: 2.944 local terms energy: -515.197844 where: bonds (distance) C4'-P energy: -150.617 bonds (distance) P-C4' energy: -166.670 flat angles C4'-P-C4' energy: -118.476 flat angles P-C4'-P energy: -90.527 tors. eta vs tors. theta energy: 11.093 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: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -803.229639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.229639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.229639 (E_RNA) where: Base-Base interactions energy: -318.279 where: short stacking energy: -210.147 Base-Backbone interact. energy: 6.987 local terms energy: -491.937745 where: bonds (distance) C4'-P energy: -142.654 bonds (distance) P-C4' energy: -169.474 flat angles C4'-P-C4' energy: -110.436 flat angles P-C4'-P energy: -98.301 tors. eta vs tors. theta energy: 28.927 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: 375 Temperature: 0.900000 Total energy: -3129.456206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.456206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.456206 (E_RNA) where: Base-Base interactions energy: -2146.762 where: short stacking energy: -886.241 Base-Backbone interact. energy: -3.590 local terms energy: -979.104576 where: bonds (distance) C4'-P energy: -189.975 bonds (distance) P-C4' energy: -165.989 flat angles C4'-P-C4' energy: -206.907 flat angles P-C4'-P energy: -158.587 tors. eta vs tors. theta energy: -257.646 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: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3046.027142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.027142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.027142 (E_RNA) where: Base-Base interactions energy: -2097.694 where: short stacking energy: -923.762 Base-Backbone interact. energy: 0.913 local terms energy: -949.246006 where: bonds (distance) C4'-P energy: -168.464 bonds (distance) P-C4' energy: -194.141 flat angles C4'-P-C4' energy: -201.024 flat angles P-C4'-P energy: -117.881 tors. eta vs tors. theta energy: -267.736 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: 375 Temperature: 1.000000 Total energy: -2866.550483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.550483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.550483 (E_RNA) where: Base-Base interactions energy: -1920.426 where: short stacking energy: -851.493 Base-Backbone interact. energy: -2.823 local terms energy: -943.301465 where: bonds (distance) C4'-P energy: -167.516 bonds (distance) P-C4' energy: -170.687 flat angles C4'-P-C4' energy: -195.727 flat angles P-C4'-P energy: -143.879 tors. eta vs tors. theta energy: -265.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2605.573388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.573388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.573388 (E_RNA) where: Base-Base interactions energy: -1745.065 where: short stacking energy: -790.151 Base-Backbone interact. energy: -0.581 local terms energy: -859.927794 where: bonds (distance) C4'-P energy: -161.697 bonds (distance) P-C4' energy: -177.613 flat angles C4'-P-C4' energy: -193.399 flat angles P-C4'-P energy: -109.236 tors. eta vs tors. theta energy: -217.983 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: 375 Temperature: 1.100000 Total energy: -2457.973125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.973125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.973125 (E_RNA) where: Base-Base interactions energy: -1648.430 where: short stacking energy: -733.907 Base-Backbone interact. energy: -4.895 local terms energy: -804.647980 where: bonds (distance) C4'-P energy: -156.462 bonds (distance) P-C4' energy: -136.727 flat angles C4'-P-C4' energy: -167.996 flat angles P-C4'-P energy: -123.274 tors. eta vs tors. theta energy: -220.188 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: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2206.799333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.799333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.799333 (E_RNA) where: Base-Base interactions energy: -1413.345 where: short stacking energy: -663.720 Base-Backbone interact. energy: 0.325 local terms energy: -793.779310 where: bonds (distance) C4'-P energy: -162.287 bonds (distance) P-C4' energy: -174.821 flat angles C4'-P-C4' energy: -164.129 flat angles P-C4'-P energy: -108.970 tors. eta vs tors. theta energy: -183.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1816.868146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.868146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.868146 (E_RNA) where: Base-Base interactions energy: -1136.268 where: short stacking energy: -513.233 Base-Backbone interact. energy: -2.000 local terms energy: -678.600828 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -163.137 flat angles C4'-P-C4' energy: -158.309 flat angles P-C4'-P energy: -110.916 tors. eta vs tors. theta energy: -93.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1481.307379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.307379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.307379 (E_RNA) where: Base-Base interactions energy: -913.429 where: short stacking energy: -415.607 Base-Backbone interact. energy: 4.774 local terms energy: -572.652879 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -164.918 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -87.429 tors. eta vs tors. theta energy: -56.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1012.745159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.745159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.745159 (E_RNA) where: Base-Base interactions energy: -487.363 where: short stacking energy: -278.812 Base-Backbone interact. energy: 1.540 local terms energy: -526.922650 where: bonds (distance) C4'-P energy: -141.523 bonds (distance) P-C4' energy: -173.386 flat angles C4'-P-C4' energy: -120.850 flat angles P-C4'-P energy: -84.327 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -765.155016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.155016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.155016 (E_RNA) where: Base-Base interactions energy: -311.238 where: short stacking energy: -227.890 Base-Backbone interact. energy: -2.911 local terms energy: -451.006025 where: bonds (distance) C4'-P energy: -130.429 bonds (distance) P-C4' energy: -152.987 flat angles C4'-P-C4' energy: -131.489 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: 37.542 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: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3145.689133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.689133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.689133 (E_RNA) where: Base-Base interactions energy: -2169.198 where: short stacking energy: -911.358 Base-Backbone interact. energy: -0.693 local terms energy: -975.797459 where: bonds (distance) C4'-P energy: -178.365 bonds (distance) P-C4' energy: -183.335 flat angles C4'-P-C4' energy: -214.501 flat angles P-C4'-P energy: -146.507 tors. eta vs tors. theta energy: -253.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3039.679453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.679453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.679453 (E_RNA) where: Base-Base interactions energy: -2074.868 where: short stacking energy: -912.366 Base-Backbone interact. energy: -2.769 local terms energy: -962.041918 where: bonds (distance) C4'-P energy: -165.894 bonds (distance) P-C4' energy: -179.979 flat angles C4'-P-C4' energy: -207.413 flat angles P-C4'-P energy: -137.173 tors. eta vs tors. theta energy: -271.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2868.249481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.249481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.249481 (E_RNA) where: Base-Base interactions energy: -1944.224 where: short stacking energy: -864.907 Base-Backbone interact. energy: -2.483 local terms energy: -921.543295 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -177.740 flat angles C4'-P-C4' energy: -200.453 flat angles P-C4'-P energy: -138.912 tors. eta vs tors. theta energy: -253.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2611.998909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.998909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.998909 (E_RNA) where: Base-Base interactions energy: -1735.353 where: short stacking energy: -745.123 Base-Backbone interact. energy: -2.819 local terms energy: -873.826611 where: bonds (distance) C4'-P energy: -171.202 bonds (distance) P-C4' energy: -177.221 flat angles C4'-P-C4' energy: -192.020 flat angles P-C4'-P energy: -116.145 tors. eta vs tors. theta energy: -217.239 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: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2371.911850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.911850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.911850 (E_RNA) where: Base-Base interactions energy: -1571.011 where: short stacking energy: -720.378 Base-Backbone interact. energy: 2.544 local terms energy: -803.444929 where: bonds (distance) C4'-P energy: -157.620 bonds (distance) P-C4' energy: -139.283 flat angles C4'-P-C4' energy: -182.850 flat angles P-C4'-P energy: -116.050 tors. eta vs tors. theta energy: -207.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2274.259190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.259190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.259190 (E_RNA) where: Base-Base interactions energy: -1500.142 where: short stacking energy: -652.624 Base-Backbone interact. energy: 0.401 local terms energy: -774.517815 where: bonds (distance) C4'-P energy: -158.133 bonds (distance) P-C4' energy: -144.233 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -107.442 tors. eta vs tors. theta energy: -184.293 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: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1746.440970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.440970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.440970 (E_RNA) where: Base-Base interactions energy: -1096.049 where: short stacking energy: -474.274 Base-Backbone interact. energy: -5.248 local terms energy: -645.144352 where: bonds (distance) C4'-P energy: -150.003 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -154.507 flat angles P-C4'-P energy: -99.437 tors. eta vs tors. theta energy: -82.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1451.241364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.241364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.241364 (E_RNA) where: Base-Base interactions energy: -868.987 where: short stacking energy: -410.396 Base-Backbone interact. energy: -1.026 local terms energy: -581.228721 where: bonds (distance) C4'-P energy: -136.598 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -157.133 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -63.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -952.926492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.926492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.926492 (E_RNA) where: Base-Base interactions energy: -451.712 where: short stacking energy: -273.723 Base-Backbone interact. energy: -0.121 local terms energy: -501.093980 where: bonds (distance) C4'-P energy: -138.346 bonds (distance) P-C4' energy: -161.740 flat angles C4'-P-C4' energy: -131.110 flat angles P-C4'-P energy: -92.161 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: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -739.231660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.231660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.231660 (E_RNA) where: Base-Base interactions energy: -285.087 where: short stacking energy: -196.045 Base-Backbone interact. energy: -1.035 local terms energy: -453.109955 where: bonds (distance) C4'-P energy: -151.961 bonds (distance) P-C4' energy: -143.657 flat angles C4'-P-C4' energy: -114.956 flat angles P-C4'-P energy: -86.498 tors. eta vs tors. theta energy: 43.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3107.826361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.826361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.826361 (E_RNA) where: Base-Base interactions energy: -2150.096 where: short stacking energy: -926.924 Base-Backbone interact. energy: -0.289 local terms energy: -957.441171 where: bonds (distance) C4'-P energy: -186.012 bonds (distance) P-C4' energy: -188.710 flat angles C4'-P-C4' energy: -214.324 flat angles P-C4'-P energy: -117.132 tors. eta vs tors. theta energy: -251.264 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: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3092.743551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.743551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.743551 (E_RNA) where: Base-Base interactions energy: -2144.920 where: short stacking energy: -932.244 Base-Backbone interact. energy: -0.573 local terms energy: -947.249953 where: bonds (distance) C4'-P energy: -162.599 bonds (distance) P-C4' energy: -172.645 flat angles C4'-P-C4' energy: -208.788 flat angles P-C4'-P energy: -121.124 tors. eta vs tors. theta energy: -282.094 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: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2854.176981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.176981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.176981 (E_RNA) where: Base-Base interactions energy: -1919.313 where: short stacking energy: -832.565 Base-Backbone interact. energy: 0.809 local terms energy: -935.673430 where: bonds (distance) C4'-P energy: -164.756 bonds (distance) P-C4' energy: -189.096 flat angles C4'-P-C4' energy: -209.531 flat angles P-C4'-P energy: -133.364 tors. eta vs tors. theta energy: -238.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2566.312301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.312301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.312301 (E_RNA) where: Base-Base interactions energy: -1711.113 where: short stacking energy: -774.394 Base-Backbone interact. energy: 1.406 local terms energy: -856.605212 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -185.300 flat angles C4'-P-C4' energy: -195.778 flat angles P-C4'-P energy: -118.537 tors. eta vs tors. theta energy: -224.177 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: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2357.629670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.629670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.629670 (E_RNA) where: Base-Base interactions energy: -1547.204 where: short stacking energy: -697.337 Base-Backbone interact. energy: 2.319 local terms energy: -812.744671 where: bonds (distance) C4'-P energy: -157.504 bonds (distance) P-C4' energy: -154.114 flat angles C4'-P-C4' energy: -181.835 flat angles P-C4'-P energy: -114.656 tors. eta vs tors. theta energy: -204.637 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: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2226.715165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.715165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.715165 (E_RNA) where: Base-Base interactions energy: -1475.502 where: short stacking energy: -608.197 Base-Backbone interact. energy: -1.099 local terms energy: -750.114380 where: bonds (distance) C4'-P energy: -153.128 bonds (distance) P-C4' energy: -160.369 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -105.649 tors. eta vs tors. theta energy: -167.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1680.447977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.447977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.447977 (E_RNA) where: Base-Base interactions energy: -1044.588 where: short stacking energy: -449.816 Base-Backbone interact. energy: 2.127 local terms energy: -637.986786 where: bonds (distance) C4'-P energy: -156.312 bonds (distance) P-C4' energy: -146.633 flat angles C4'-P-C4' energy: -166.196 flat angles P-C4'-P energy: -90.872 tors. eta vs tors. theta energy: -77.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1418.691921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.691921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.691921 (E_RNA) where: Base-Base interactions energy: -767.693 where: short stacking energy: -390.890 Base-Backbone interact. energy: -3.746 local terms energy: -647.253090 where: bonds (distance) C4'-P energy: -175.239 bonds (distance) P-C4' energy: -149.470 flat angles C4'-P-C4' energy: -159.644 flat angles P-C4'-P energy: -93.199 tors. eta vs tors. theta energy: -69.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -979.357888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.357888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.357888 (E_RNA) where: Base-Base interactions energy: -501.062 where: short stacking energy: -291.860 Base-Backbone interact. energy: 5.034 local terms energy: -483.330015 where: bonds (distance) C4'-P energy: -144.847 bonds (distance) P-C4' energy: -142.775 flat angles C4'-P-C4' energy: -141.161 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: 1.416 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: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -732.153637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.153637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.153637 (E_RNA) where: Base-Base interactions energy: -290.701 where: short stacking energy: -172.975 Base-Backbone interact. energy: 5.515 local terms energy: -446.967900 where: bonds (distance) C4'-P energy: -139.066 bonds (distance) P-C4' energy: -164.337 flat angles C4'-P-C4' energy: -117.049 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: 41.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3091.453767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.453767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.453767 (E_RNA) where: Base-Base interactions energy: -2143.002 where: short stacking energy: -911.866 Base-Backbone interact. energy: -2.740 local terms energy: -945.711543 where: bonds (distance) C4'-P energy: -177.810 bonds (distance) P-C4' energy: -169.399 flat angles C4'-P-C4' energy: -216.952 flat angles P-C4'-P energy: -133.193 tors. eta vs tors. theta energy: -248.357 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: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3055.077910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.077910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.077910 (E_RNA) where: Base-Base interactions energy: -2088.060 where: short stacking energy: -911.092 Base-Backbone interact. energy: -4.320 local terms energy: -962.697159 where: bonds (distance) C4'-P energy: -175.450 bonds (distance) P-C4' energy: -180.316 flat angles C4'-P-C4' energy: -202.740 flat angles P-C4'-P energy: -117.170 tors. eta vs tors. theta energy: -287.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2877.632315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.632315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.632315 (E_RNA) where: Base-Base interactions energy: -1956.177 where: short stacking energy: -849.079 Base-Backbone interact. energy: -4.352 local terms energy: -917.103124 where: bonds (distance) C4'-P energy: -152.987 bonds (distance) P-C4' energy: -164.456 flat angles C4'-P-C4' energy: -203.549 flat angles P-C4'-P energy: -136.452 tors. eta vs tors. theta energy: -259.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2619.105127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.105127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.105127 (E_RNA) where: Base-Base interactions energy: -1739.393 where: short stacking energy: -776.951 Base-Backbone interact. energy: -0.443 local terms energy: -879.268682 where: bonds (distance) C4'-P energy: -176.776 bonds (distance) P-C4' energy: -164.036 flat angles C4'-P-C4' energy: -181.704 flat angles P-C4'-P energy: -130.121 tors. eta vs tors. theta energy: -226.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2419.299354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.299354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.299354 (E_RNA) where: Base-Base interactions energy: -1584.172 where: short stacking energy: -700.680 Base-Backbone interact. energy: -1.468 local terms energy: -833.659822 where: bonds (distance) C4'-P energy: -178.515 bonds (distance) P-C4' energy: -161.699 flat angles C4'-P-C4' energy: -188.845 flat angles P-C4'-P energy: -114.296 tors. eta vs tors. theta energy: -190.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2141.483183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.483183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.483183 (E_RNA) where: Base-Base interactions energy: -1334.339 where: short stacking energy: -637.039 Base-Backbone interact. energy: -4.378 local terms energy: -802.766149 where: bonds (distance) C4'-P energy: -163.891 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -188.382 flat angles P-C4'-P energy: -115.562 tors. eta vs tors. theta energy: -170.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1700.452771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.452771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.452771 (E_RNA) where: Base-Base interactions energy: -1028.943 where: short stacking energy: -491.914 Base-Backbone interact. energy: -2.364 local terms energy: -669.145420 where: bonds (distance) C4'-P energy: -162.245 bonds (distance) P-C4' energy: -154.571 flat angles C4'-P-C4' energy: -146.412 flat angles P-C4'-P energy: -102.546 tors. eta vs tors. theta energy: -103.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1427.554694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.554694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.554694 (E_RNA) where: Base-Base interactions energy: -873.158 where: short stacking energy: -415.929 Base-Backbone interact. energy: 1.939 local terms energy: -556.335733 where: bonds (distance) C4'-P energy: -161.080 bonds (distance) P-C4' energy: -128.503 flat angles C4'-P-C4' energy: -158.237 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -44.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -973.742144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.742144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.742144 (E_RNA) where: Base-Base interactions energy: -458.307 where: short stacking energy: -229.428 Base-Backbone interact. energy: 6.273 local terms energy: -521.707830 where: bonds (distance) C4'-P energy: -167.524 bonds (distance) P-C4' energy: -154.667 flat angles C4'-P-C4' energy: -133.644 flat angles P-C4'-P energy: -73.269 tors. eta vs tors. theta energy: 7.397 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: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -747.785303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.785303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.785303 (E_RNA) where: Base-Base interactions energy: -298.113 where: short stacking energy: -208.521 Base-Backbone interact. energy: 3.290 local terms energy: -452.962241 where: bonds (distance) C4'-P energy: -143.263 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -115.937 flat angles P-C4'-P energy: -84.872 tors. eta vs tors. theta energy: 41.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3107.015467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.015467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.015467 (E_RNA) where: Base-Base interactions energy: -2123.639 where: short stacking energy: -901.606 Base-Backbone interact. energy: -2.272 local terms energy: -981.104515 where: bonds (distance) C4'-P energy: -171.315 bonds (distance) P-C4' energy: -187.256 flat angles C4'-P-C4' energy: -215.191 flat angles P-C4'-P energy: -142.952 tors. eta vs tors. theta energy: -264.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -3023.712935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.712935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.712935 (E_RNA) where: Base-Base interactions energy: -2062.276 where: short stacking energy: -883.333 Base-Backbone interact. energy: -3.951 local terms energy: -957.486114 where: bonds (distance) C4'-P energy: -162.406 bonds (distance) P-C4' energy: -185.049 flat angles C4'-P-C4' energy: -210.304 flat angles P-C4'-P energy: -134.900 tors. eta vs tors. theta energy: -264.828 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: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2892.181020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.181020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.181020 (E_RNA) where: Base-Base interactions energy: -1975.053 where: short stacking energy: -853.317 Base-Backbone interact. energy: -0.798 local terms energy: -916.330158 where: bonds (distance) C4'-P energy: -173.345 bonds (distance) P-C4' energy: -159.577 flat angles C4'-P-C4' energy: -203.878 flat angles P-C4'-P energy: -125.252 tors. eta vs tors. theta energy: -254.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2567.923931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.923931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.923931 (E_RNA) where: Base-Base interactions energy: -1741.040 where: short stacking energy: -757.948 Base-Backbone interact. energy: -2.156 local terms energy: -824.727424 where: bonds (distance) C4'-P energy: -157.038 bonds (distance) P-C4' energy: -146.102 flat angles C4'-P-C4' energy: -182.636 flat angles P-C4'-P energy: -123.583 tors. eta vs tors. theta energy: -215.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2363.434182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.434182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.434182 (E_RNA) where: Base-Base interactions energy: -1559.815 where: short stacking energy: -702.305 Base-Backbone interact. energy: 1.426 local terms energy: -805.044787 where: bonds (distance) C4'-P energy: -148.534 bonds (distance) P-C4' energy: -174.894 flat angles C4'-P-C4' energy: -187.678 flat angles P-C4'-P energy: -109.205 tors. eta vs tors. theta energy: -184.733 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: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2127.585305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.585305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.585305 (E_RNA) where: Base-Base interactions energy: -1399.560 where: short stacking energy: -643.746 Base-Backbone interact. energy: -1.016 local terms energy: -727.008959 where: bonds (distance) C4'-P energy: -129.224 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -170.554 flat angles P-C4'-P energy: -99.408 tors. eta vs tors. theta energy: -181.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1703.879271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.879271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.879271 (E_RNA) where: Base-Base interactions energy: -1027.576 where: short stacking energy: -485.161 Base-Backbone interact. energy: -1.390 local terms energy: -674.913486 where: bonds (distance) C4'-P energy: -163.521 bonds (distance) P-C4' energy: -152.019 flat angles C4'-P-C4' energy: -159.036 flat angles P-C4'-P energy: -106.827 tors. eta vs tors. theta energy: -93.511 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: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1481.901848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.901848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.901848 (E_RNA) where: Base-Base interactions energy: -872.886 where: short stacking energy: -409.538 Base-Backbone interact. energy: -0.340 local terms energy: -608.676392 where: bonds (distance) C4'-P energy: -155.492 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -133.994 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -74.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -991.899571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.899571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.899571 (E_RNA) where: Base-Base interactions energy: -428.295 where: short stacking energy: -289.289 Base-Backbone interact. energy: -2.360 local terms energy: -561.244368 where: bonds (distance) C4'-P energy: -155.719 bonds (distance) P-C4' energy: -172.550 flat angles C4'-P-C4' energy: -137.073 flat angles P-C4'-P energy: -87.714 tors. eta vs tors. theta energy: -8.187 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -735.136166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.136166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.136166 (E_RNA) where: Base-Base interactions energy: -304.421 where: short stacking energy: -208.039 Base-Backbone interact. energy: 5.787 local terms energy: -436.502812 where: bonds (distance) C4'-P energy: -113.642 bonds (distance) P-C4' energy: -139.460 flat angles C4'-P-C4' energy: -130.411 flat angles P-C4'-P energy: -64.207 tors. eta vs tors. theta energy: 11.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3119.213683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.213683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.213683 (E_RNA) where: Base-Base interactions energy: -2139.880 where: short stacking energy: -896.981 Base-Backbone interact. energy: 0.588 local terms energy: -979.921667 where: bonds (distance) C4'-P energy: -185.702 bonds (distance) P-C4' energy: -187.722 flat angles C4'-P-C4' energy: -202.569 flat angles P-C4'-P energy: -143.919 tors. eta vs tors. theta energy: -260.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3043.430741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.430741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.430741 (E_RNA) where: Base-Base interactions energy: -2096.576 where: short stacking energy: -910.066 Base-Backbone interact. energy: -4.403 local terms energy: -942.451821 where: bonds (distance) C4'-P energy: -157.180 bonds (distance) P-C4' energy: -188.448 flat angles C4'-P-C4' energy: -197.941 flat angles P-C4'-P energy: -126.687 tors. eta vs tors. theta energy: -272.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2867.048180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.048180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.048180 (E_RNA) where: Base-Base interactions energy: -1954.334 where: short stacking energy: -863.876 Base-Backbone interact. energy: -4.733 local terms energy: -907.981641 where: bonds (distance) C4'-P energy: -170.243 bonds (distance) P-C4' energy: -167.926 flat angles C4'-P-C4' energy: -192.426 flat angles P-C4'-P energy: -131.406 tors. eta vs tors. theta energy: -245.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2589.990419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.990419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.990419 (E_RNA) where: Base-Base interactions energy: -1729.328 where: short stacking energy: -778.649 Base-Backbone interact. energy: -4.050 local terms energy: -856.612862 where: bonds (distance) C4'-P energy: -160.937 bonds (distance) P-C4' energy: -158.373 flat angles C4'-P-C4' energy: -184.230 flat angles P-C4'-P energy: -141.685 tors. eta vs tors. theta energy: -211.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2417.447479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.447479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.447479 (E_RNA) where: Base-Base interactions energy: -1613.045 where: short stacking energy: -692.423 Base-Backbone interact. energy: 2.533 local terms energy: -806.936004 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -173.911 flat angles C4'-P-C4' energy: -181.180 flat angles P-C4'-P energy: -108.461 tors. eta vs tors. theta energy: -197.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2045.724869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.724869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.724869 (E_RNA) where: Base-Base interactions energy: -1335.846 where: short stacking energy: -584.343 Base-Backbone interact. energy: -4.084 local terms energy: -705.794742 where: bonds (distance) C4'-P energy: -144.376 bonds (distance) P-C4' energy: -161.639 flat angles C4'-P-C4' energy: -151.341 flat angles P-C4'-P energy: -93.059 tors. eta vs tors. theta energy: -155.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1692.090798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.090798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.090798 (E_RNA) where: Base-Base interactions energy: -1039.399 where: short stacking energy: -476.204 Base-Backbone interact. energy: 1.737 local terms energy: -654.428659 where: bonds (distance) C4'-P energy: -157.386 bonds (distance) P-C4' energy: -168.257 flat angles C4'-P-C4' energy: -144.093 flat angles P-C4'-P energy: -92.688 tors. eta vs tors. theta energy: -92.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1476.144826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.144826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.144826 (E_RNA) where: Base-Base interactions energy: -882.016 where: short stacking energy: -407.026 Base-Backbone interact. energy: 3.079 local terms energy: -597.208605 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -149.900 flat angles C4'-P-C4' energy: -146.118 flat angles P-C4'-P energy: -92.408 tors. eta vs tors. theta energy: -70.916 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: 9, replica: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -968.855409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.855409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.855409 (E_RNA) where: Base-Base interactions energy: -469.243 where: short stacking energy: -278.202 Base-Backbone interact. energy: -3.065 local terms energy: -496.547587 where: bonds (distance) C4'-P energy: -140.852 bonds (distance) P-C4' energy: -143.525 flat angles C4'-P-C4' energy: -125.727 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -9.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -741.323834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.323834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.323834 (E_RNA) where: Base-Base interactions energy: -294.165 where: short stacking energy: -202.875 Base-Backbone interact. energy: 1.059 local terms energy: -448.218220 where: bonds (distance) C4'-P energy: -142.262 bonds (distance) P-C4' energy: -149.884 flat angles C4'-P-C4' energy: -128.811 flat angles P-C4'-P energy: -62.734 tors. eta vs tors. theta energy: 35.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3134.562085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.562085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.562085 (E_RNA) where: Base-Base interactions energy: -2138.917 where: short stacking energy: -905.366 Base-Backbone interact. energy: -3.528 local terms energy: -992.117438 where: bonds (distance) C4'-P energy: -195.584 bonds (distance) P-C4' energy: -167.211 flat angles C4'-P-C4' energy: -209.404 flat angles P-C4'-P energy: -160.255 tors. eta vs tors. theta energy: -259.664 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: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3047.237635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.237635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.237635 (E_RNA) where: Base-Base interactions energy: -2066.500 where: short stacking energy: -893.562 Base-Backbone interact. energy: -2.801 local terms energy: -977.936703 where: bonds (distance) C4'-P energy: -169.006 bonds (distance) P-C4' energy: -189.751 flat angles C4'-P-C4' energy: -201.004 flat angles P-C4'-P energy: -148.728 tors. eta vs tors. theta energy: -269.447 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: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2895.345376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.345376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.345376 (E_RNA) where: Base-Base interactions energy: -1946.846 where: short stacking energy: -862.197 Base-Backbone interact. energy: -2.179 local terms energy: -946.320457 where: bonds (distance) C4'-P energy: -169.566 bonds (distance) P-C4' energy: -171.801 flat angles C4'-P-C4' energy: -201.443 flat angles P-C4'-P energy: -148.132 tors. eta vs tors. theta energy: -255.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2584.258453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.258453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.258453 (E_RNA) where: Base-Base interactions energy: -1720.401 where: short stacking energy: -772.469 Base-Backbone interact. energy: -1.555 local terms energy: -862.302072 where: bonds (distance) C4'-P energy: -172.888 bonds (distance) P-C4' energy: -168.011 flat angles C4'-P-C4' energy: -182.729 flat angles P-C4'-P energy: -118.070 tors. eta vs tors. theta energy: -220.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2430.337787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.337787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.337787 (E_RNA) where: Base-Base interactions energy: -1633.389 where: short stacking energy: -701.298 Base-Backbone interact. energy: -0.681 local terms energy: -796.267509 where: bonds (distance) C4'-P energy: -151.790 bonds (distance) P-C4' energy: -142.841 flat angles C4'-P-C4' energy: -192.015 flat angles P-C4'-P energy: -113.560 tors. eta vs tors. theta energy: -196.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2089.238087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.238087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.238087 (E_RNA) where: Base-Base interactions energy: -1360.081 where: short stacking energy: -619.033 Base-Backbone interact. energy: -2.150 local terms energy: -727.007034 where: bonds (distance) C4'-P energy: -166.475 bonds (distance) P-C4' energy: -144.712 flat angles C4'-P-C4' energy: -176.047 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: -156.467 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: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1685.508177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.508177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.508177 (E_RNA) where: Base-Base interactions energy: -1036.154 where: short stacking energy: -481.615 Base-Backbone interact. energy: 6.007 local terms energy: -655.360822 where: bonds (distance) C4'-P energy: -136.159 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -173.087 flat angles P-C4'-P energy: -83.864 tors. eta vs tors. theta energy: -111.134 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: 381 Temperature: 1.250000 Total energy: -1459.851574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.851574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.851574 (E_RNA) where: Base-Base interactions energy: -855.845 where: short stacking energy: -415.002 Base-Backbone interact. energy: 5.394 local terms energy: -609.400370 where: bonds (distance) C4'-P energy: -142.749 bonds (distance) P-C4' energy: -156.189 flat angles C4'-P-C4' energy: -145.524 flat angles P-C4'-P energy: -98.023 tors. eta vs tors. theta energy: -66.915 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: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1000.853128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.853128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.853128 (E_RNA) where: Base-Base interactions energy: -483.429 where: short stacking energy: -299.888 Base-Backbone interact. energy: -2.311 local terms energy: -515.113539 where: bonds (distance) C4'-P energy: -156.660 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -127.061 flat angles P-C4'-P energy: -70.490 tors. eta vs tors. theta energy: -10.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -707.828018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.828018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.828018 (E_RNA) where: Base-Base interactions energy: -275.408 where: short stacking energy: -208.792 Base-Backbone interact. energy: 1.002 local terms energy: -433.422553 where: bonds (distance) C4'-P energy: -152.369 bonds (distance) P-C4' energy: -136.493 flat angles C4'-P-C4' energy: -116.729 flat angles P-C4'-P energy: -56.232 tors. eta vs tors. theta energy: 28.400 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: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3136.064114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.064114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.064114 (E_RNA) where: Base-Base interactions energy: -2180.926 where: short stacking energy: -928.556 Base-Backbone interact. energy: -2.779 local terms energy: -952.359080 where: bonds (distance) C4'-P energy: -155.050 bonds (distance) P-C4' energy: -182.777 flat angles C4'-P-C4' energy: -214.258 flat angles P-C4'-P energy: -132.271 tors. eta vs tors. theta energy: -268.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3085.020520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.020520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.020520 (E_RNA) where: Base-Base interactions energy: -2098.865 where: short stacking energy: -916.922 Base-Backbone interact. energy: 3.707 local terms energy: -989.862846 where: bonds (distance) C4'-P energy: -177.107 bonds (distance) P-C4' energy: -173.751 flat angles C4'-P-C4' energy: -220.030 flat angles P-C4'-P energy: -146.557 tors. eta vs tors. theta energy: -272.419 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: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2883.559085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.559085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.559085 (E_RNA) where: Base-Base interactions energy: -1966.514 where: short stacking energy: -832.541 Base-Backbone interact. energy: -2.473 local terms energy: -914.571579 where: bonds (distance) C4'-P energy: -176.642 bonds (distance) P-C4' energy: -165.765 flat angles C4'-P-C4' energy: -184.015 flat angles P-C4'-P energy: -127.823 tors. eta vs tors. theta energy: -260.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2547.370824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.370824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.370824 (E_RNA) where: Base-Base interactions energy: -1689.007 where: short stacking energy: -715.359 Base-Backbone interact. energy: -1.644 local terms energy: -856.719454 where: bonds (distance) C4'-P energy: -167.262 bonds (distance) P-C4' energy: -180.745 flat angles C4'-P-C4' energy: -186.677 flat angles P-C4'-P energy: -118.077 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: 382 Temperature: 1.100000 Total energy: -2423.690266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.690266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.690266 (E_RNA) where: Base-Base interactions energy: -1579.048 where: short stacking energy: -670.929 Base-Backbone interact. energy: 3.558 local terms energy: -848.199526 where: bonds (distance) C4'-P energy: -164.182 bonds (distance) P-C4' energy: -182.707 flat angles C4'-P-C4' energy: -185.583 flat angles P-C4'-P energy: -110.401 tors. eta vs tors. theta energy: -205.326 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: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2063.649407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.649407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.649407 (E_RNA) where: Base-Base interactions energy: -1326.466 where: short stacking energy: -592.084 Base-Backbone interact. energy: -2.171 local terms energy: -735.012401 where: bonds (distance) C4'-P energy: -141.789 bonds (distance) P-C4' energy: -169.440 flat angles C4'-P-C4' energy: -159.484 flat angles P-C4'-P energy: -115.285 tors. eta vs tors. theta energy: -149.014 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: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1737.137650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.137650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.137650 (E_RNA) where: Base-Base interactions energy: -1060.398 where: short stacking energy: -494.479 Base-Backbone interact. energy: 0.708 local terms energy: -677.447175 where: bonds (distance) C4'-P energy: -133.249 bonds (distance) P-C4' energy: -164.135 flat angles C4'-P-C4' energy: -179.448 flat angles P-C4'-P energy: -103.496 tors. eta vs tors. theta energy: -97.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1430.419502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.419502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.419502 (E_RNA) where: Base-Base interactions energy: -823.312 where: short stacking energy: -390.740 Base-Backbone interact. energy: -2.194 local terms energy: -604.912655 where: bonds (distance) C4'-P energy: -155.308 bonds (distance) P-C4' energy: -142.397 flat angles C4'-P-C4' energy: -143.399 flat angles P-C4'-P energy: -88.985 tors. eta vs tors. theta energy: -74.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -967.195346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.195346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.195346 (E_RNA) where: Base-Base interactions energy: -474.359 where: short stacking energy: -249.935 Base-Backbone interact. energy: 9.929 local terms energy: -502.764598 where: bonds (distance) C4'-P energy: -142.462 bonds (distance) P-C4' energy: -154.698 flat angles C4'-P-C4' energy: -131.664 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: 1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -738.371845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.371845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.371845 (E_RNA) where: Base-Base interactions energy: -307.707 where: short stacking energy: -196.890 Base-Backbone interact. energy: 1.673 local terms energy: -432.337570 where: bonds (distance) C4'-P energy: -150.289 bonds (distance) P-C4' energy: -151.301 flat angles C4'-P-C4' energy: -125.248 flat angles P-C4'-P energy: -44.942 tors. eta vs tors. theta energy: 39.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3100.897072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.897072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.897072 (E_RNA) where: Base-Base interactions energy: -2134.284 where: short stacking energy: -951.003 Base-Backbone interact. energy: -1.778 local terms energy: -964.834657 where: bonds (distance) C4'-P energy: -179.810 bonds (distance) P-C4' energy: -188.982 flat angles C4'-P-C4' energy: -195.638 flat angles P-C4'-P energy: -124.051 tors. eta vs tors. theta energy: -276.354 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: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3046.582309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.582309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.582309 (E_RNA) where: Base-Base interactions energy: -2091.982 where: short stacking energy: -879.889 Base-Backbone interact. energy: -1.919 local terms energy: -952.681750 where: bonds (distance) C4'-P energy: -177.218 bonds (distance) P-C4' energy: -174.625 flat angles C4'-P-C4' energy: -200.234 flat angles P-C4'-P energy: -152.182 tors. eta vs tors. theta energy: -248.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2878.027807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.027807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.027807 (E_RNA) where: Base-Base interactions energy: -1945.140 where: short stacking energy: -849.334 Base-Backbone interact. energy: -1.733 local terms energy: -931.154913 where: bonds (distance) C4'-P energy: -169.836 bonds (distance) P-C4' energy: -173.167 flat angles C4'-P-C4' energy: -206.965 flat angles P-C4'-P energy: -127.830 tors. eta vs tors. theta energy: -253.357 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: 383 Temperature: 1.050000 Total energy: -2486.585679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.585679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.585679 (E_RNA) where: Base-Base interactions energy: -1661.046 where: short stacking energy: -751.415 Base-Backbone interact. energy: -1.190 local terms energy: -824.349755 where: bonds (distance) C4'-P energy: -158.233 bonds (distance) P-C4' energy: -169.686 flat angles C4'-P-C4' energy: -188.458 flat angles P-C4'-P energy: -103.446 tors. eta vs tors. theta energy: -204.528 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: 383 Temperature: 1.100000 Total energy: -2459.647458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.647458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.647458 (E_RNA) where: Base-Base interactions energy: -1632.311 where: short stacking energy: -721.143 Base-Backbone interact. energy: -5.190 local terms energy: -822.145802 where: bonds (distance) C4'-P energy: -182.745 bonds (distance) P-C4' energy: -179.381 flat angles C4'-P-C4' energy: -148.126 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -203.240 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: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2086.836833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.836833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.836833 (E_RNA) where: Base-Base interactions energy: -1350.463 where: short stacking energy: -604.130 Base-Backbone interact. energy: 2.609 local terms energy: -738.982288 where: bonds (distance) C4'-P energy: -149.780 bonds (distance) P-C4' energy: -157.710 flat angles C4'-P-C4' energy: -164.993 flat angles P-C4'-P energy: -112.394 tors. eta vs tors. theta energy: -154.105 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: 3 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1740.455412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.455412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.455412 (E_RNA) where: Base-Base interactions energy: -1087.534 where: short stacking energy: -508.979 Base-Backbone interact. energy: -1.935 local terms energy: -650.986302 where: bonds (distance) C4'-P energy: -134.971 bonds (distance) P-C4' energy: -150.394 flat angles C4'-P-C4' energy: -159.692 flat angles P-C4'-P energy: -107.385 tors. eta vs tors. theta energy: -98.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1454.936080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.936080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.936080 (E_RNA) where: Base-Base interactions energy: -831.740 where: short stacking energy: -413.867 Base-Backbone interact. energy: 1.458 local terms energy: -624.653610 where: bonds (distance) C4'-P energy: -160.495 bonds (distance) P-C4' energy: -156.137 flat angles C4'-P-C4' energy: -152.278 flat angles P-C4'-P energy: -76.424 tors. eta vs tors. theta energy: -79.321 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: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -926.269213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.269213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.269213 (E_RNA) where: Base-Base interactions energy: -457.217 where: short stacking energy: -282.817 Base-Backbone interact. energy: 2.350 local terms energy: -471.401829 where: bonds (distance) C4'-P energy: -158.823 bonds (distance) P-C4' energy: -139.127 flat angles C4'-P-C4' energy: -136.456 flat angles P-C4'-P energy: -61.191 tors. eta vs tors. theta energy: 24.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -758.453000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.453000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.453000 (E_RNA) where: Base-Base interactions energy: -286.180 where: short stacking energy: -206.890 Base-Backbone interact. energy: 14.300 local terms energy: -486.573170 where: bonds (distance) C4'-P energy: -137.349 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -135.437 flat angles P-C4'-P energy: -64.294 tors. eta vs tors. theta energy: 8.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3122.625792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.625792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.625792 (E_RNA) where: Base-Base interactions energy: -2146.680 where: short stacking energy: -952.975 Base-Backbone interact. energy: -1.599 local terms energy: -974.346942 where: bonds (distance) C4'-P energy: -184.189 bonds (distance) P-C4' energy: -164.150 flat angles C4'-P-C4' energy: -218.386 flat angles P-C4'-P energy: -131.048 tors. eta vs tors. theta energy: -276.574 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: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3061.752203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.752203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.752203 (E_RNA) where: Base-Base interactions energy: -2105.754 where: short stacking energy: -875.986 Base-Backbone interact. energy: -5.974 local terms energy: -950.023595 where: bonds (distance) C4'-P energy: -173.405 bonds (distance) P-C4' energy: -181.580 flat angles C4'-P-C4' energy: -202.172 flat angles P-C4'-P energy: -146.427 tors. eta vs tors. theta energy: -246.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2876.617383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.617383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.617383 (E_RNA) where: Base-Base interactions energy: -1963.196 where: short stacking energy: -849.484 Base-Backbone interact. energy: -1.661 local terms energy: -911.760659 where: bonds (distance) C4'-P energy: -181.670 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -197.235 flat angles P-C4'-P energy: -132.618 tors. eta vs tors. theta energy: -242.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2479.869304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.869304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.869304 (E_RNA) where: Base-Base interactions energy: -1643.576 where: short stacking energy: -699.228 Base-Backbone interact. energy: -1.012 local terms energy: -835.281585 where: bonds (distance) C4'-P energy: -163.510 bonds (distance) P-C4' energy: -168.273 flat angles C4'-P-C4' energy: -204.871 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -205.476 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: 384 Temperature: 1.100000 Total energy: -2412.382222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.382222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.382222 (E_RNA) where: Base-Base interactions energy: -1600.882 where: short stacking energy: -708.496 Base-Backbone interact. energy: 3.172 local terms energy: -814.671484 where: bonds (distance) C4'-P energy: -157.427 bonds (distance) P-C4' energy: -161.069 flat angles C4'-P-C4' energy: -156.111 flat angles P-C4'-P energy: -128.593 tors. eta vs tors. theta energy: -211.472 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: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2111.368982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.368982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.368982 (E_RNA) where: Base-Base interactions energy: -1343.337 where: short stacking energy: -595.812 Base-Backbone interact. energy: -0.536 local terms energy: -767.495507 where: bonds (distance) C4'-P energy: -157.387 bonds (distance) P-C4' energy: -176.682 flat angles C4'-P-C4' energy: -171.134 flat angles P-C4'-P energy: -107.813 tors. eta vs tors. theta energy: -154.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1763.286316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.286316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.286316 (E_RNA) where: Base-Base interactions energy: -1122.781 where: short stacking energy: -492.151 Base-Backbone interact. energy: 0.696 local terms energy: -641.201678 where: bonds (distance) C4'-P energy: -152.727 bonds (distance) P-C4' energy: -135.660 flat angles C4'-P-C4' energy: -160.816 flat angles P-C4'-P energy: -98.359 tors. eta vs tors. theta energy: -93.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1408.891960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.891960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.891960 (E_RNA) where: Base-Base interactions energy: -798.946 where: short stacking energy: -403.727 Base-Backbone interact. energy: 0.547 local terms energy: -610.492696 where: bonds (distance) C4'-P energy: -142.430 bonds (distance) P-C4' energy: -166.414 flat angles C4'-P-C4' energy: -152.446 flat angles P-C4'-P energy: -94.313 tors. eta vs tors. theta energy: -54.889 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: 384 Temperature: 1.300000 Total energy: -914.256115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.256115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.256115 (E_RNA) where: Base-Base interactions energy: -407.646 where: short stacking energy: -257.740 Base-Backbone interact. energy: 3.749 local terms energy: -510.359589 where: bonds (distance) C4'-P energy: -150.119 bonds (distance) P-C4' energy: -159.368 flat angles C4'-P-C4' energy: -123.330 flat angles P-C4'-P energy: -81.665 tors. eta vs tors. theta energy: 4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -772.210436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.210436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.210436 (E_RNA) where: Base-Base interactions energy: -329.090 where: short stacking energy: -247.026 Base-Backbone interact. energy: 0.100 local terms energy: -443.221300 where: bonds (distance) C4'-P energy: -122.127 bonds (distance) P-C4' energy: -152.619 flat angles C4'-P-C4' energy: -120.671 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: 21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3100.837354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.837354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.837354 (E_RNA) where: Base-Base interactions energy: -2113.795 where: short stacking energy: -920.141 Base-Backbone interact. energy: -4.519 local terms energy: -982.522851 where: bonds (distance) C4'-P energy: -176.244 bonds (distance) P-C4' energy: -184.203 flat angles C4'-P-C4' energy: -192.291 flat angles P-C4'-P energy: -144.761 tors. eta vs tors. theta energy: -285.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3034.856504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.856504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.856504 (E_RNA) where: Base-Base interactions energy: -2096.375 where: short stacking energy: -880.499 Base-Backbone interact. energy: -0.512 local terms energy: -937.969976 where: bonds (distance) C4'-P energy: -169.143 bonds (distance) P-C4' energy: -166.820 flat angles C4'-P-C4' energy: -212.852 flat angles P-C4'-P energy: -139.474 tors. eta vs tors. theta energy: -249.681 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: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2892.497724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.497724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.497724 (E_RNA) where: Base-Base interactions energy: -1960.143 where: short stacking energy: -852.474 Base-Backbone interact. energy: -4.593 local terms energy: -927.761435 where: bonds (distance) C4'-P energy: -166.733 bonds (distance) P-C4' energy: -179.385 flat angles C4'-P-C4' energy: -206.756 flat angles P-C4'-P energy: -114.463 tors. eta vs tors. theta energy: -260.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2515.420619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.420619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.420619 (E_RNA) where: Base-Base interactions energy: -1684.413 where: short stacking energy: -710.196 Base-Backbone interact. energy: -2.560 local terms energy: -828.447636 where: bonds (distance) C4'-P energy: -174.560 bonds (distance) P-C4' energy: -174.928 flat angles C4'-P-C4' energy: -186.077 flat angles P-C4'-P energy: -111.862 tors. eta vs tors. theta energy: -181.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2430.573369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.573369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.573369 (E_RNA) where: Base-Base interactions energy: -1619.981 where: short stacking energy: -713.257 Base-Backbone interact. energy: 2.950 local terms energy: -813.541643 where: bonds (distance) C4'-P energy: -157.659 bonds (distance) P-C4' energy: -173.241 flat angles C4'-P-C4' energy: -177.719 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -194.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2156.721627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.721627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.721627 (E_RNA) where: Base-Base interactions energy: -1409.925 where: short stacking energy: -631.256 Base-Backbone interact. energy: 0.763 local terms energy: -747.559825 where: bonds (distance) C4'-P energy: -135.333 bonds (distance) P-C4' energy: -164.374 flat angles C4'-P-C4' energy: -167.038 flat angles P-C4'-P energy: -111.308 tors. eta vs tors. theta energy: -169.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1811.086046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.086046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.086046 (E_RNA) where: Base-Base interactions energy: -1162.417 where: short stacking energy: -522.225 Base-Backbone interact. energy: 0.134 local terms energy: -648.803325 where: bonds (distance) C4'-P energy: -141.754 bonds (distance) P-C4' energy: -161.736 flat angles C4'-P-C4' energy: -136.946 flat angles P-C4'-P energy: -96.098 tors. eta vs tors. theta energy: -112.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1482.010219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.010219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.010219 (E_RNA) where: Base-Base interactions energy: -908.489 where: short stacking energy: -420.252 Base-Backbone interact. energy: 4.210 local terms energy: -577.730938 where: bonds (distance) C4'-P energy: -161.982 bonds (distance) P-C4' energy: -138.194 flat angles C4'-P-C4' energy: -144.903 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -58.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -970.508689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.508689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.508689 (E_RNA) where: Base-Base interactions energy: -446.269 where: short stacking energy: -241.960 Base-Backbone interact. energy: -2.837 local terms energy: -521.403325 where: bonds (distance) C4'-P energy: -146.681 bonds (distance) P-C4' energy: -168.001 flat angles C4'-P-C4' energy: -133.612 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: 11.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -805.533533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.533533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.533533 (E_RNA) where: Base-Base interactions energy: -321.370 where: short stacking energy: -221.836 Base-Backbone interact. energy: 8.600 local terms energy: -492.763029 where: bonds (distance) C4'-P energy: -157.347 bonds (distance) P-C4' energy: -157.859 flat angles C4'-P-C4' energy: -115.260 flat angles P-C4'-P energy: -73.126 tors. eta vs tors. theta energy: 10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3152.621490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.621490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.621490 (E_RNA) where: Base-Base interactions energy: -2134.251 where: short stacking energy: -936.689 Base-Backbone interact. energy: -2.548 local terms energy: -1015.822639 where: bonds (distance) C4'-P energy: -192.249 bonds (distance) P-C4' energy: -205.521 flat angles C4'-P-C4' energy: -218.616 flat angles P-C4'-P energy: -131.158 tors. eta vs tors. theta energy: -268.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3015.804570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.804570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.804570 (E_RNA) where: Base-Base interactions energy: -2075.297 where: short stacking energy: -893.883 Base-Backbone interact. energy: -2.923 local terms energy: -937.585383 where: bonds (distance) C4'-P energy: -173.147 bonds (distance) P-C4' energy: -164.778 flat angles C4'-P-C4' energy: -220.358 flat angles P-C4'-P energy: -134.638 tors. eta vs tors. theta energy: -244.666 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: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2871.420154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.420154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.420154 (E_RNA) where: Base-Base interactions energy: -1963.371 where: short stacking energy: -857.023 Base-Backbone interact. energy: -1.446 local terms energy: -906.603470 where: bonds (distance) C4'-P energy: -167.144 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -202.650 flat angles P-C4'-P energy: -126.719 tors. eta vs tors. theta energy: -258.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2509.310335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.310335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.310335 (E_RNA) where: Base-Base interactions energy: -1703.138 where: short stacking energy: -756.237 Base-Backbone interact. energy: -0.867 local terms energy: -805.305343 where: bonds (distance) C4'-P energy: -140.881 bonds (distance) P-C4' energy: -165.781 flat angles C4'-P-C4' energy: -185.039 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -208.259 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: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2434.278345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.278345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.278345 (E_RNA) where: Base-Base interactions energy: -1616.939 where: short stacking energy: -708.203 Base-Backbone interact. energy: 4.209 local terms energy: -821.548284 where: bonds (distance) C4'-P energy: -167.838 bonds (distance) P-C4' energy: -170.146 flat angles C4'-P-C4' energy: -163.072 flat angles P-C4'-P energy: -117.856 tors. eta vs tors. theta energy: -202.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2097.611934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.611934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.611934 (E_RNA) where: Base-Base interactions energy: -1396.818 where: short stacking energy: -618.664 Base-Backbone interact. energy: 1.266 local terms energy: -702.060462 where: bonds (distance) C4'-P energy: -166.584 bonds (distance) P-C4' energy: -137.737 flat angles C4'-P-C4' energy: -163.033 flat angles P-C4'-P energy: -85.076 tors. eta vs tors. theta energy: -149.630 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: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1822.492776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.492776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.492776 (E_RNA) where: Base-Base interactions energy: -1190.738 where: short stacking energy: -509.334 Base-Backbone interact. energy: -0.743 local terms energy: -631.011249 where: bonds (distance) C4'-P energy: -131.265 bonds (distance) P-C4' energy: -164.639 flat angles C4'-P-C4' energy: -150.856 flat angles P-C4'-P energy: -88.145 tors. eta vs tors. theta energy: -96.106 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: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1474.740830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.740830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.740830 (E_RNA) where: Base-Base interactions energy: -880.121 where: short stacking energy: -427.967 Base-Backbone interact. energy: -2.707 local terms energy: -591.912745 where: bonds (distance) C4'-P energy: -137.849 bonds (distance) P-C4' energy: -154.128 flat angles C4'-P-C4' energy: -148.888 flat angles P-C4'-P energy: -84.433 tors. eta vs tors. theta energy: -66.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1028.180108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.180108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.180108 (E_RNA) where: Base-Base interactions energy: -511.477 where: short stacking energy: -319.247 Base-Backbone interact. energy: -0.895 local terms energy: -515.808478 where: bonds (distance) C4'-P energy: -150.329 bonds (distance) P-C4' energy: -163.624 flat angles C4'-P-C4' energy: -126.081 flat angles P-C4'-P energy: -67.770 tors. eta vs tors. theta energy: -8.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -759.218499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.218499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.218499 (E_RNA) where: Base-Base interactions energy: -320.271 where: short stacking energy: -209.439 Base-Backbone interact. energy: -1.363 local terms energy: -437.583865 where: bonds (distance) C4'-P energy: -142.609 bonds (distance) P-C4' energy: -155.933 flat angles C4'-P-C4' energy: -117.963 flat angles P-C4'-P energy: -48.826 tors. eta vs tors. theta energy: 27.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3173.072643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.072643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.072643 (E_RNA) where: Base-Base interactions energy: -2204.469 where: short stacking energy: -938.344 Base-Backbone interact. energy: -1.510 local terms energy: -967.093264 where: bonds (distance) C4'-P energy: -179.539 bonds (distance) P-C4' energy: -177.640 flat angles C4'-P-C4' energy: -200.989 flat angles P-C4'-P energy: -139.179 tors. eta vs tors. theta energy: -269.747 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: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3055.689317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.689317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.689317 (E_RNA) where: Base-Base interactions energy: -2101.871 where: short stacking energy: -884.320 Base-Backbone interact. energy: -3.266 local terms energy: -950.552861 where: bonds (distance) C4'-P energy: -169.560 bonds (distance) P-C4' energy: -189.224 flat angles C4'-P-C4' energy: -213.804 flat angles P-C4'-P energy: -126.695 tors. eta vs tors. theta energy: -251.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2929.321202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.321202 (E_RNA) where: Base-Base interactions energy: -1996.544 where: short stacking energy: -865.342 Base-Backbone interact. energy: 0.797 local terms energy: -933.573849 where: bonds (distance) C4'-P energy: -165.789 bonds (distance) P-C4' energy: -176.665 flat angles C4'-P-C4' energy: -201.923 flat angles P-C4'-P energy: -132.369 tors. eta vs tors. theta energy: -256.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2530.891324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.891324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.891324 (E_RNA) where: Base-Base interactions energy: -1694.603 where: short stacking energy: -746.135 Base-Backbone interact. energy: -3.343 local terms energy: -832.946025 where: bonds (distance) C4'-P energy: -154.185 bonds (distance) P-C4' energy: -164.116 flat angles C4'-P-C4' energy: -192.151 flat angles P-C4'-P energy: -119.924 tors. eta vs tors. theta energy: -202.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2425.629204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.629204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.629204 (E_RNA) where: Base-Base interactions energy: -1629.184 where: short stacking energy: -690.500 Base-Backbone interact. energy: 0.867 local terms energy: -797.312513 where: bonds (distance) C4'-P energy: -167.689 bonds (distance) P-C4' energy: -140.418 flat angles C4'-P-C4' energy: -172.875 flat angles P-C4'-P energy: -115.562 tors. eta vs tors. theta energy: -200.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2155.690010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.690010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.690010 (E_RNA) where: Base-Base interactions energy: -1432.137 where: short stacking energy: -630.124 Base-Backbone interact. energy: 6.534 local terms energy: -730.086315 where: bonds (distance) C4'-P energy: -152.172 bonds (distance) P-C4' energy: -163.219 flat angles C4'-P-C4' energy: -168.651 flat angles P-C4'-P energy: -105.562 tors. eta vs tors. theta energy: -140.483 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: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1838.867242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.867242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.867242 (E_RNA) where: Base-Base interactions energy: -1157.395 where: short stacking energy: -501.147 Base-Backbone interact. energy: -2.673 local terms energy: -678.799125 where: bonds (distance) C4'-P energy: -165.622 bonds (distance) P-C4' energy: -164.915 flat angles C4'-P-C4' energy: -152.465 flat angles P-C4'-P energy: -100.541 tors. eta vs tors. theta energy: -95.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1550.138349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.138349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.138349 (E_RNA) where: Base-Base interactions energy: -921.978 where: short stacking energy: -463.473 Base-Backbone interact. energy: 0.942 local terms energy: -629.102009 where: bonds (distance) C4'-P energy: -141.815 bonds (distance) P-C4' energy: -153.490 flat angles C4'-P-C4' energy: -138.297 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -94.560 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: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1037.280924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.280924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.280924 (E_RNA) where: Base-Base interactions energy: -518.512 where: short stacking energy: -297.322 Base-Backbone interact. energy: 2.981 local terms energy: -521.749903 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -159.734 flat angles C4'-P-C4' energy: -136.385 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -771.385949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.385949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.385949 (E_RNA) where: Base-Base interactions energy: -341.521 where: short stacking energy: -202.720 Base-Backbone interact. energy: 2.188 local terms energy: -432.052354 where: bonds (distance) C4'-P energy: -123.202 bonds (distance) P-C4' energy: -163.748 flat angles C4'-P-C4' energy: -124.331 flat angles P-C4'-P energy: -62.257 tors. eta vs tors. theta energy: 41.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3146.929531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.929531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.929531 (E_RNA) where: Base-Base interactions energy: -2159.892 where: short stacking energy: -960.077 Base-Backbone interact. energy: -2.895 local terms energy: -984.142457 where: bonds (distance) C4'-P energy: -169.210 bonds (distance) P-C4' energy: -173.003 flat angles C4'-P-C4' energy: -227.348 flat angles P-C4'-P energy: -140.580 tors. eta vs tors. theta energy: -274.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3032.078017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.078017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.078017 (E_RNA) where: Base-Base interactions energy: -2104.652 where: short stacking energy: -856.550 Base-Backbone interact. energy: -3.528 local terms energy: -923.898248 where: bonds (distance) C4'-P energy: -178.678 bonds (distance) P-C4' energy: -162.800 flat angles C4'-P-C4' energy: -204.720 flat angles P-C4'-P energy: -138.074 tors. eta vs tors. theta energy: -239.625 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: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2875.093529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.093529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.093529 (E_RNA) where: Base-Base interactions energy: -1944.926 where: short stacking energy: -851.127 Base-Backbone interact. energy: -3.297 local terms energy: -926.871113 where: bonds (distance) C4'-P energy: -171.578 bonds (distance) P-C4' energy: -164.762 flat angles C4'-P-C4' energy: -197.290 flat angles P-C4'-P energy: -133.619 tors. eta vs tors. theta energy: -259.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2522.712135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.712135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.712135 (E_RNA) where: Base-Base interactions energy: -1703.083 where: short stacking energy: -755.068 Base-Backbone interact. energy: 6.012 local terms energy: -825.640969 where: bonds (distance) C4'-P energy: -156.899 bonds (distance) P-C4' energy: -169.787 flat angles C4'-P-C4' energy: -178.113 flat angles P-C4'-P energy: -122.205 tors. eta vs tors. theta energy: -198.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2467.760948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.760948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.760948 (E_RNA) where: Base-Base interactions energy: -1653.173 where: short stacking energy: -752.206 Base-Backbone interact. energy: 0.671 local terms energy: -815.258851 where: bonds (distance) C4'-P energy: -152.324 bonds (distance) P-C4' energy: -156.024 flat angles C4'-P-C4' energy: -191.619 flat angles P-C4'-P energy: -113.200 tors. eta vs tors. theta energy: -202.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2128.004865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.004865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.004865 (E_RNA) where: Base-Base interactions energy: -1388.058 where: short stacking energy: -592.408 Base-Backbone interact. energy: -3.313 local terms energy: -736.633250 where: bonds (distance) C4'-P energy: -145.645 bonds (distance) P-C4' energy: -154.083 flat angles C4'-P-C4' energy: -166.487 flat angles P-C4'-P energy: -113.301 tors. eta vs tors. theta energy: -157.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1722.740874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.740874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.740874 (E_RNA) where: Base-Base interactions energy: -1066.972 where: short stacking energy: -492.095 Base-Backbone interact. energy: -0.332 local terms energy: -655.437436 where: bonds (distance) C4'-P energy: -139.020 bonds (distance) P-C4' energy: -144.545 flat angles C4'-P-C4' energy: -151.777 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -113.883 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: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1511.805360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.805360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.805360 (E_RNA) where: Base-Base interactions energy: -919.561 where: short stacking energy: -417.121 Base-Backbone interact. energy: -3.568 local terms energy: -588.676881 where: bonds (distance) C4'-P energy: -145.987 bonds (distance) P-C4' energy: -165.224 flat angles C4'-P-C4' energy: -158.914 flat angles P-C4'-P energy: -68.632 tors. eta vs tors. theta energy: -49.921 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: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1057.974669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.974669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.974669 (E_RNA) where: Base-Base interactions energy: -570.774 where: short stacking energy: -294.384 Base-Backbone interact. energy: -4.299 local terms energy: -482.901590 where: bonds (distance) C4'-P energy: -130.597 bonds (distance) P-C4' energy: -144.899 flat angles C4'-P-C4' energy: -121.680 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: 2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -815.669047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.669047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.669047 (E_RNA) where: Base-Base interactions energy: -358.954 where: short stacking energy: -223.569 Base-Backbone interact. energy: 8.752 local terms energy: -465.467077 where: bonds (distance) C4'-P energy: -155.054 bonds (distance) P-C4' energy: -135.241 flat angles C4'-P-C4' energy: -132.626 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: 18.164 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: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3142.312661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.312661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.312661 (E_RNA) where: Base-Base interactions energy: -2152.453 where: short stacking energy: -936.396 Base-Backbone interact. energy: -1.532 local terms energy: -988.326989 where: bonds (distance) C4'-P energy: -171.061 bonds (distance) P-C4' energy: -188.353 flat angles C4'-P-C4' energy: -213.865 flat angles P-C4'-P energy: -125.773 tors. eta vs tors. theta energy: -289.276 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: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3056.860368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.860368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.860368 (E_RNA) where: Base-Base interactions energy: -2149.048 where: short stacking energy: -901.666 Base-Backbone interact. energy: -4.858 local terms energy: -902.954738 where: bonds (distance) C4'-P energy: -161.655 bonds (distance) P-C4' energy: -164.499 flat angles C4'-P-C4' energy: -187.029 flat angles P-C4'-P energy: -131.799 tors. eta vs tors. theta energy: -257.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2896.166152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.166152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.166152 (E_RNA) where: Base-Base interactions energy: -1986.428 where: short stacking energy: -851.613 Base-Backbone interact. energy: -2.167 local terms energy: -907.571439 where: bonds (distance) C4'-P energy: -164.959 bonds (distance) P-C4' energy: -172.510 flat angles C4'-P-C4' energy: -195.186 flat angles P-C4'-P energy: -114.390 tors. eta vs tors. theta energy: -260.525 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: 389 Temperature: 1.050000 Total energy: -2469.699403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.699403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.699403 (E_RNA) where: Base-Base interactions energy: -1622.120 where: short stacking energy: -724.956 Base-Backbone interact. energy: 2.768 local terms energy: -850.347833 where: bonds (distance) C4'-P energy: -175.698 bonds (distance) P-C4' energy: -183.859 flat angles C4'-P-C4' energy: -173.325 flat angles P-C4'-P energy: -116.667 tors. eta vs tors. theta energy: -200.799 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: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2410.881954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.881954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.881954 (E_RNA) where: Base-Base interactions energy: -1585.158 where: short stacking energy: -691.089 Base-Backbone interact. energy: -3.512 local terms energy: -822.211627 where: bonds (distance) C4'-P energy: -155.967 bonds (distance) P-C4' energy: -172.261 flat angles C4'-P-C4' energy: -165.659 flat angles P-C4'-P energy: -120.349 tors. eta vs tors. theta energy: -207.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2192.688313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.688313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.688313 (E_RNA) where: Base-Base interactions energy: -1403.306 where: short stacking energy: -628.282 Base-Backbone interact. energy: -2.296 local terms energy: -787.086396 where: bonds (distance) C4'-P energy: -159.245 bonds (distance) P-C4' energy: -158.866 flat angles C4'-P-C4' energy: -182.060 flat angles P-C4'-P energy: -105.537 tors. eta vs tors. theta energy: -181.378 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: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1700.031807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.031807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.031807 (E_RNA) where: Base-Base interactions energy: -1075.864 where: short stacking energy: -459.190 Base-Backbone interact. energy: 5.355 local terms energy: -629.523386 where: bonds (distance) C4'-P energy: -153.085 bonds (distance) P-C4' energy: -163.295 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -82.005 tors. eta vs tors. theta energy: -86.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1498.194149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.194149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.194149 (E_RNA) where: Base-Base interactions energy: -875.363 where: short stacking energy: -441.593 Base-Backbone interact. energy: -2.457 local terms energy: -620.374773 where: bonds (distance) C4'-P energy: -143.634 bonds (distance) P-C4' energy: -155.984 flat angles C4'-P-C4' energy: -153.691 flat angles P-C4'-P energy: -101.146 tors. eta vs tors. theta energy: -65.919 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: 389 Temperature: 1.300000 Total energy: -1065.634346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.634346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.634346 (E_RNA) where: Base-Base interactions energy: -520.109 where: short stacking energy: -308.382 Base-Backbone interact. energy: -0.561 local terms energy: -544.964360 where: bonds (distance) C4'-P energy: -143.921 bonds (distance) P-C4' energy: -154.231 flat angles C4'-P-C4' energy: -144.115 flat angles P-C4'-P energy: -90.880 tors. eta vs tors. theta energy: -11.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -739.039571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.039571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.039571 (E_RNA) where: Base-Base interactions energy: -258.574 where: short stacking energy: -172.230 Base-Backbone interact. energy: 7.421 local terms energy: -487.886266 where: bonds (distance) C4'-P energy: -138.287 bonds (distance) P-C4' energy: -166.216 flat angles C4'-P-C4' energy: -131.446 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: 23.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3127.581398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.581398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.581398 (E_RNA) where: Base-Base interactions energy: -2150.450 where: short stacking energy: -916.803 Base-Backbone interact. energy: 0.069 local terms energy: -977.200404 where: bonds (distance) C4'-P energy: -184.074 bonds (distance) P-C4' energy: -173.431 flat angles C4'-P-C4' energy: -201.374 flat angles P-C4'-P energy: -141.374 tors. eta vs tors. theta energy: -276.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -3071.200366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.200366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.200366 (E_RNA) where: Base-Base interactions energy: -2156.201 where: short stacking energy: -897.924 Base-Backbone interact. energy: 6.217 local terms energy: -921.216649 where: bonds (distance) C4'-P energy: -155.955 bonds (distance) P-C4' energy: -183.243 flat angles C4'-P-C4' energy: -196.574 flat angles P-C4'-P energy: -129.002 tors. eta vs tors. theta energy: -256.442 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: 390 Temperature: 1.000000 Total energy: -2908.161064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.161064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.161064 (E_RNA) where: Base-Base interactions energy: -1982.883 where: short stacking energy: -871.364 Base-Backbone interact. energy: -0.788 local terms energy: -924.490447 where: bonds (distance) C4'-P energy: -176.433 bonds (distance) P-C4' energy: -183.468 flat angles C4'-P-C4' energy: -192.748 flat angles P-C4'-P energy: -131.878 tors. eta vs tors. theta energy: -239.964 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: 390 Temperature: 1.050000 Total energy: -2476.723726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.723726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.723726 (E_RNA) where: Base-Base interactions energy: -1636.002 where: short stacking energy: -742.136 Base-Backbone interact. energy: -1.019 local terms energy: -839.702752 where: bonds (distance) C4'-P energy: -173.198 bonds (distance) P-C4' energy: -151.137 flat angles C4'-P-C4' energy: -195.547 flat angles P-C4'-P energy: -108.298 tors. eta vs tors. theta energy: -211.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2414.602101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.602101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.602101 (E_RNA) where: Base-Base interactions energy: -1585.014 where: short stacking energy: -701.588 Base-Backbone interact. energy: -0.519 local terms energy: -829.068848 where: bonds (distance) C4'-P energy: -168.250 bonds (distance) P-C4' energy: -178.608 flat angles C4'-P-C4' energy: -182.743 flat angles P-C4'-P energy: -100.277 tors. eta vs tors. theta energy: -199.190 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: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2122.706069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.706069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.706069 (E_RNA) where: Base-Base interactions energy: -1374.343 where: short stacking energy: -583.178 Base-Backbone interact. energy: -0.650 local terms energy: -747.712721 where: bonds (distance) C4'-P energy: -165.347 bonds (distance) P-C4' energy: -161.713 flat angles C4'-P-C4' energy: -157.753 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -154.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1719.016940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.016940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.016940 (E_RNA) where: Base-Base interactions energy: -1038.983 where: short stacking energy: -481.618 Base-Backbone interact. energy: 1.959 local terms energy: -681.993379 where: bonds (distance) C4'-P energy: -170.311 bonds (distance) P-C4' energy: -168.847 flat angles C4'-P-C4' energy: -148.980 flat angles P-C4'-P energy: -100.078 tors. eta vs tors. theta energy: -93.778 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: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1544.516119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.516119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.516119 (E_RNA) where: Base-Base interactions energy: -930.833 where: short stacking energy: -463.676 Base-Backbone interact. energy: 4.432 local terms energy: -618.115406 where: bonds (distance) C4'-P energy: -141.846 bonds (distance) P-C4' energy: -163.731 flat angles C4'-P-C4' energy: -151.073 flat angles P-C4'-P energy: -82.127 tors. eta vs tors. theta energy: -79.338 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: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -990.908797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.908797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.908797 (E_RNA) where: Base-Base interactions energy: -473.895 where: short stacking energy: -280.227 Base-Backbone interact. energy: -5.764 local terms energy: -511.250255 where: bonds (distance) C4'-P energy: -155.367 bonds (distance) P-C4' energy: -139.676 flat angles C4'-P-C4' energy: -127.104 flat angles P-C4'-P energy: -74.809 tors. eta vs tors. theta energy: -14.294 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: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -766.421102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.421102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.421102 (E_RNA) where: Base-Base interactions energy: -329.600 where: short stacking energy: -222.047 Base-Backbone interact. energy: -1.273 local terms energy: -435.548549 where: bonds (distance) C4'-P energy: -129.344 bonds (distance) P-C4' energy: -134.167 flat angles C4'-P-C4' energy: -120.206 flat angles P-C4'-P energy: -64.952 tors. eta vs tors. theta energy: 13.122 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: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3165.488580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.488580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.488580 (E_RNA) where: Base-Base interactions energy: -2140.953 where: short stacking energy: -928.958 Base-Backbone interact. energy: 3.442 local terms energy: -1027.977568 where: bonds (distance) C4'-P energy: -187.826 bonds (distance) P-C4' energy: -189.674 flat angles C4'-P-C4' energy: -210.644 flat angles P-C4'-P energy: -152.765 tors. eta vs tors. theta energy: -287.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -3049.774991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.774991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.774991 (E_RNA) where: Base-Base interactions energy: -2110.632 where: short stacking energy: -885.792 Base-Backbone interact. energy: -0.516 local terms energy: -938.626922 where: bonds (distance) C4'-P energy: -163.538 bonds (distance) P-C4' energy: -170.533 flat angles C4'-P-C4' energy: -207.063 flat angles P-C4'-P energy: -147.855 tors. eta vs tors. theta energy: -249.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2835.929423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.929423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.929423 (E_RNA) where: Base-Base interactions energy: -1952.063 where: short stacking energy: -852.604 Base-Backbone interact. energy: -3.869 local terms energy: -879.997715 where: bonds (distance) C4'-P energy: -167.741 bonds (distance) P-C4' energy: -170.841 flat angles C4'-P-C4' energy: -184.400 flat angles P-C4'-P energy: -113.870 tors. eta vs tors. theta energy: -243.146 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: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2557.070306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.070306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.070306 (E_RNA) where: Base-Base interactions energy: -1700.428 where: short stacking energy: -736.668 Base-Backbone interact. energy: 2.221 local terms energy: -858.863591 where: bonds (distance) C4'-P energy: -176.782 bonds (distance) P-C4' energy: -177.623 flat angles C4'-P-C4' energy: -189.825 flat angles P-C4'-P energy: -115.658 tors. eta vs tors. theta energy: -198.975 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: 391 Temperature: 1.100000 Total energy: -2479.084182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.084182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.084182 (E_RNA) where: Base-Base interactions energy: -1683.523 where: short stacking energy: -722.964 Base-Backbone interact. energy: -1.996 local terms energy: -793.565669 where: bonds (distance) C4'-P energy: -134.223 bonds (distance) P-C4' energy: -168.642 flat angles C4'-P-C4' energy: -177.165 flat angles P-C4'-P energy: -107.586 tors. eta vs tors. theta energy: -205.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2145.159969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.159969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.159969 (E_RNA) where: Base-Base interactions energy: -1389.549 where: short stacking energy: -636.174 Base-Backbone interact. energy: 1.616 local terms energy: -757.226800 where: bonds (distance) C4'-P energy: -158.680 bonds (distance) P-C4' energy: -161.097 flat angles C4'-P-C4' energy: -171.292 flat angles P-C4'-P energy: -108.122 tors. eta vs tors. theta energy: -158.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1723.617802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.617802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.617802 (E_RNA) where: Base-Base interactions energy: -1039.763 where: short stacking energy: -471.145 Base-Backbone interact. energy: -5.067 local terms energy: -678.787850 where: bonds (distance) C4'-P energy: -149.972 bonds (distance) P-C4' energy: -171.591 flat angles C4'-P-C4' energy: -177.130 flat angles P-C4'-P energy: -79.968 tors. eta vs tors. theta energy: -100.128 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: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1550.216970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.216970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.216970 (E_RNA) where: Base-Base interactions energy: -930.955 where: short stacking energy: -439.324 Base-Backbone interact. energy: -4.868 local terms energy: -614.394227 where: bonds (distance) C4'-P energy: -151.103 bonds (distance) P-C4' energy: -145.355 flat angles C4'-P-C4' energy: -149.799 flat angles P-C4'-P energy: -103.511 tors. eta vs tors. theta energy: -64.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -995.493804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.493804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.493804 (E_RNA) where: Base-Base interactions energy: -454.314 where: short stacking energy: -275.082 Base-Backbone interact. energy: 1.795 local terms energy: -542.975216 where: bonds (distance) C4'-P energy: -140.706 bonds (distance) P-C4' energy: -159.261 flat angles C4'-P-C4' energy: -137.789 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -9.021 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: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -838.276311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.276311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.276311 (E_RNA) where: Base-Base interactions energy: -351.477 where: short stacking energy: -237.524 Base-Backbone interact. energy: -0.930 local terms energy: -485.869326 where: bonds (distance) C4'-P energy: -134.170 bonds (distance) P-C4' energy: -168.269 flat angles C4'-P-C4' energy: -129.419 flat angles P-C4'-P energy: -60.600 tors. eta vs tors. theta energy: 6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3143.247630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.247630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.247630 (E_RNA) where: Base-Base interactions energy: -2152.582 where: short stacking energy: -943.957 Base-Backbone interact. energy: 4.292 local terms energy: -994.957427 where: bonds (distance) C4'-P energy: -184.289 bonds (distance) P-C4' energy: -185.290 flat angles C4'-P-C4' energy: -209.629 flat angles P-C4'-P energy: -130.518 tors. eta vs tors. theta energy: -285.231 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: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -3049.177946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.177946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.177946 (E_RNA) where: Base-Base interactions energy: -2142.260 where: short stacking energy: -873.228 Base-Backbone interact. energy: 3.368 local terms energy: -910.285352 where: bonds (distance) C4'-P energy: -161.289 bonds (distance) P-C4' energy: -182.099 flat angles C4'-P-C4' energy: -193.323 flat angles P-C4'-P energy: -126.797 tors. eta vs tors. theta energy: -246.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2834.958488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.958488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.958488 (E_RNA) where: Base-Base interactions energy: -1900.266 where: short stacking energy: -832.887 Base-Backbone interact. energy: 0.978 local terms energy: -935.670091 where: bonds (distance) C4'-P energy: -171.669 bonds (distance) P-C4' energy: -175.761 flat angles C4'-P-C4' energy: -208.517 flat angles P-C4'-P energy: -139.903 tors. eta vs tors. theta energy: -239.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2607.913059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.913059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.913059 (E_RNA) where: Base-Base interactions energy: -1763.432 where: short stacking energy: -773.613 Base-Backbone interact. energy: -0.904 local terms energy: -843.577609 where: bonds (distance) C4'-P energy: -178.412 bonds (distance) P-C4' energy: -154.293 flat angles C4'-P-C4' energy: -191.122 flat angles P-C4'-P energy: -116.477 tors. eta vs tors. theta energy: -203.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2520.403383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.403383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.403383 (E_RNA) where: Base-Base interactions energy: -1695.583 where: short stacking energy: -735.390 Base-Backbone interact. energy: -0.974 local terms energy: -823.846884 where: bonds (distance) C4'-P energy: -158.411 bonds (distance) P-C4' energy: -175.815 flat angles C4'-P-C4' energy: -179.533 flat angles P-C4'-P energy: -114.433 tors. eta vs tors. theta energy: -195.655 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: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2195.753011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.753011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.753011 (E_RNA) where: Base-Base interactions energy: -1429.279 where: short stacking energy: -630.460 Base-Backbone interact. energy: -2.747 local terms energy: -763.727361 where: bonds (distance) C4'-P energy: -149.754 bonds (distance) P-C4' energy: -180.162 flat angles C4'-P-C4' energy: -176.387 flat angles P-C4'-P energy: -88.856 tors. eta vs tors. theta energy: -168.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1729.366429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.366429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.366429 (E_RNA) where: Base-Base interactions energy: -1100.387 where: short stacking energy: -513.476 Base-Backbone interact. energy: -0.854 local terms energy: -628.125175 where: bonds (distance) C4'-P energy: -134.882 bonds (distance) P-C4' energy: -184.131 flat angles C4'-P-C4' energy: -141.859 flat angles P-C4'-P energy: -79.001 tors. eta vs tors. theta energy: -88.251 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: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1579.723806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.723806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.723806 (E_RNA) where: Base-Base interactions energy: -954.997 where: short stacking energy: -429.931 Base-Backbone interact. energy: -0.507 local terms energy: -624.220022 where: bonds (distance) C4'-P energy: -141.849 bonds (distance) P-C4' energy: -153.973 flat angles C4'-P-C4' energy: -147.937 flat angles P-C4'-P energy: -106.215 tors. eta vs tors. theta energy: -74.247 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: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -952.782233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.782233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.782233 (E_RNA) where: Base-Base interactions energy: -445.199 where: short stacking energy: -257.796 Base-Backbone interact. energy: 8.121 local terms energy: -515.703952 where: bonds (distance) C4'-P energy: -155.617 bonds (distance) P-C4' energy: -163.477 flat angles C4'-P-C4' energy: -131.094 flat angles P-C4'-P energy: -64.535 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -853.311512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.311512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.311512 (E_RNA) where: Base-Base interactions energy: -380.755 where: short stacking energy: -245.515 Base-Backbone interact. energy: -0.115 local terms energy: -472.441746 where: bonds (distance) C4'-P energy: -129.386 bonds (distance) P-C4' energy: -137.843 flat angles C4'-P-C4' energy: -119.943 flat angles P-C4'-P energy: -84.903 tors. eta vs tors. theta energy: -0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3141.215946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.215946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.215946 (E_RNA) where: Base-Base interactions energy: -2142.714 where: short stacking energy: -906.808 Base-Backbone interact. energy: 14.319 local terms energy: -1012.820799 where: bonds (distance) C4'-P energy: -175.561 bonds (distance) P-C4' energy: -208.289 flat angles C4'-P-C4' energy: -210.783 flat angles P-C4'-P energy: -140.971 tors. eta vs tors. theta energy: -277.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -3068.173306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.173306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.173306 (E_RNA) where: Base-Base interactions energy: -2125.218 where: short stacking energy: -872.243 Base-Backbone interact. energy: -2.409 local terms energy: -940.546130 where: bonds (distance) C4'-P energy: -173.095 bonds (distance) P-C4' energy: -180.993 flat angles C4'-P-C4' energy: -200.995 flat angles P-C4'-P energy: -139.493 tors. eta vs tors. theta energy: -245.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2851.432026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.432026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.432026 (E_RNA) where: Base-Base interactions energy: -1943.383 where: short stacking energy: -860.639 Base-Backbone interact. energy: -0.442 local terms energy: -907.607077 where: bonds (distance) C4'-P energy: -156.846 bonds (distance) P-C4' energy: -168.095 flat angles C4'-P-C4' energy: -197.444 flat angles P-C4'-P energy: -136.048 tors. eta vs tors. theta energy: -249.173 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: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2595.685531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.685531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.685531 (E_RNA) where: Base-Base interactions energy: -1736.162 where: short stacking energy: -804.546 Base-Backbone interact. energy: 2.789 local terms energy: -862.313064 where: bonds (distance) C4'-P energy: -167.712 bonds (distance) P-C4' energy: -153.586 flat angles C4'-P-C4' energy: -198.161 flat angles P-C4'-P energy: -105.643 tors. eta vs tors. theta energy: -237.210 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: 5, replica: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2543.755892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.755892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.755892 (E_RNA) where: Base-Base interactions energy: -1734.487 where: short stacking energy: -720.572 Base-Backbone interact. energy: -4.877 local terms energy: -804.391304 where: bonds (distance) C4'-P energy: -169.606 bonds (distance) P-C4' energy: -160.325 flat angles C4'-P-C4' energy: -176.871 flat angles P-C4'-P energy: -99.412 tors. eta vs tors. theta energy: -198.177 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: 393 Temperature: 1.150000 Total energy: -2165.644102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.644102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.644102 (E_RNA) where: Base-Base interactions energy: -1413.350 where: short stacking energy: -610.358 Base-Backbone interact. energy: 0.030 local terms energy: -752.324743 where: bonds (distance) C4'-P energy: -166.558 bonds (distance) P-C4' energy: -165.386 flat angles C4'-P-C4' energy: -165.417 flat angles P-C4'-P energy: -93.019 tors. eta vs tors. theta energy: -161.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1748.381576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.381576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.381576 (E_RNA) where: Base-Base interactions energy: -1097.909 where: short stacking energy: -509.179 Base-Backbone interact. energy: -0.307 local terms energy: -650.165504 where: bonds (distance) C4'-P energy: -156.760 bonds (distance) P-C4' energy: -148.361 flat angles C4'-P-C4' energy: -161.638 flat angles P-C4'-P energy: -83.303 tors. eta vs tors. theta energy: -100.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1572.605346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.605346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.605346 (E_RNA) where: Base-Base interactions energy: -942.231 where: short stacking energy: -418.421 Base-Backbone interact. energy: -0.865 local terms energy: -629.510156 where: bonds (distance) C4'-P energy: -155.846 bonds (distance) P-C4' energy: -159.142 flat angles C4'-P-C4' energy: -161.589 flat angles P-C4'-P energy: -85.459 tors. eta vs tors. theta energy: -67.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -957.578363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.578363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.578363 (E_RNA) where: Base-Base interactions energy: -445.865 where: short stacking energy: -246.344 Base-Backbone interact. energy: 4.220 local terms energy: -515.933253 where: bonds (distance) C4'-P energy: -158.002 bonds (distance) P-C4' energy: -171.777 flat angles C4'-P-C4' energy: -127.854 flat angles P-C4'-P energy: -78.338 tors. eta vs tors. theta energy: 20.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -767.564023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.564023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.564023 (E_RNA) where: Base-Base interactions energy: -306.605 where: short stacking energy: -196.300 Base-Backbone interact. energy: 4.848 local terms energy: -465.807099 where: bonds (distance) C4'-P energy: -146.448 bonds (distance) P-C4' energy: -150.515 flat angles C4'-P-C4' energy: -126.139 flat angles P-C4'-P energy: -68.633 tors. eta vs tors. theta energy: 25.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3127.284770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.284770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.284770 (E_RNA) where: Base-Base interactions energy: -2146.105 where: short stacking energy: -906.751 Base-Backbone interact. energy: 4.430 local terms energy: -985.609851 where: bonds (distance) C4'-P energy: -186.954 bonds (distance) P-C4' energy: -187.070 flat angles C4'-P-C4' energy: -203.733 flat angles P-C4'-P energy: -133.753 tors. eta vs tors. theta energy: -274.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -3030.194783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.194783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.194783 (E_RNA) where: Base-Base interactions energy: -2119.138 where: short stacking energy: -877.341 Base-Backbone interact. energy: -2.491 local terms energy: -908.565861 where: bonds (distance) C4'-P energy: -160.534 bonds (distance) P-C4' energy: -171.198 flat angles C4'-P-C4' energy: -186.665 flat angles P-C4'-P energy: -131.179 tors. eta vs tors. theta energy: -258.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2846.674333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.674333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.674333 (E_RNA) where: Base-Base interactions energy: -1947.946 where: short stacking energy: -847.385 Base-Backbone interact. energy: -3.340 local terms energy: -895.388732 where: bonds (distance) C4'-P energy: -166.692 bonds (distance) P-C4' energy: -159.041 flat angles C4'-P-C4' energy: -199.068 flat angles P-C4'-P energy: -126.123 tors. eta vs tors. theta energy: -244.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2589.854863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.854863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.854863 (E_RNA) where: Base-Base interactions energy: -1698.077 where: short stacking energy: -750.291 Base-Backbone interact. energy: -2.666 local terms energy: -889.111536 where: bonds (distance) C4'-P energy: -171.055 bonds (distance) P-C4' energy: -184.527 flat angles C4'-P-C4' energy: -176.196 flat angles P-C4'-P energy: -125.511 tors. eta vs tors. theta energy: -231.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2557.394076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.394076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.394076 (E_RNA) where: Base-Base interactions energy: -1726.358 where: short stacking energy: -738.950 Base-Backbone interact. energy: -2.979 local terms energy: -828.056583 where: bonds (distance) C4'-P energy: -156.146 bonds (distance) P-C4' energy: -162.160 flat angles C4'-P-C4' energy: -187.634 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -220.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2123.819197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.819197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.819197 (E_RNA) where: Base-Base interactions energy: -1372.691 where: short stacking energy: -636.612 Base-Backbone interact. energy: -2.271 local terms energy: -748.857187 where: bonds (distance) C4'-P energy: -149.859 bonds (distance) P-C4' energy: -153.936 flat angles C4'-P-C4' energy: -168.747 flat angles P-C4'-P energy: -111.393 tors. eta vs tors. theta energy: -164.922 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: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1653.344399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.344399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.344399 (E_RNA) where: Base-Base interactions energy: -1022.493 where: short stacking energy: -469.181 Base-Backbone interact. energy: 2.234 local terms energy: -633.084789 where: bonds (distance) C4'-P energy: -138.088 bonds (distance) P-C4' energy: -151.800 flat angles C4'-P-C4' energy: -139.378 flat angles P-C4'-P energy: -117.797 tors. eta vs tors. theta energy: -86.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1620.948087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.948087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.948087 (E_RNA) where: Base-Base interactions energy: -1027.560 where: short stacking energy: -455.403 Base-Backbone interact. energy: -4.269 local terms energy: -589.118599 where: bonds (distance) C4'-P energy: -131.727 bonds (distance) P-C4' energy: -142.244 flat angles C4'-P-C4' energy: -154.760 flat angles P-C4'-P energy: -82.631 tors. eta vs tors. theta energy: -77.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1016.205470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.205470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.205470 (E_RNA) where: Base-Base interactions energy: -501.732 where: short stacking energy: -265.856 Base-Backbone interact. energy: 6.028 local terms energy: -520.501760 where: bonds (distance) C4'-P energy: -128.764 bonds (distance) P-C4' energy: -168.336 flat angles C4'-P-C4' energy: -138.246 flat angles P-C4'-P energy: -90.142 tors. eta vs tors. theta energy: 4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -739.150337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.150337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.150337 (E_RNA) where: Base-Base interactions energy: -286.162 where: short stacking energy: -203.990 Base-Backbone interact. energy: 7.941 local terms energy: -460.928727 where: bonds (distance) C4'-P energy: -156.235 bonds (distance) P-C4' energy: -154.567 flat angles C4'-P-C4' energy: -108.455 flat angles P-C4'-P energy: -70.644 tors. eta vs tors. theta energy: 28.971 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: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3131.927392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.927392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.927392 (E_RNA) where: Base-Base interactions energy: -2163.345 where: short stacking energy: -906.220 Base-Backbone interact. energy: -4.959 local terms energy: -963.622823 where: bonds (distance) C4'-P energy: -175.414 bonds (distance) P-C4' energy: -180.164 flat angles C4'-P-C4' energy: -196.427 flat angles P-C4'-P energy: -141.528 tors. eta vs tors. theta energy: -270.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -3055.828356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.828356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.828356 (E_RNA) where: Base-Base interactions energy: -2104.706 where: short stacking energy: -893.182 Base-Backbone interact. energy: -5.740 local terms energy: -945.382342 where: bonds (distance) C4'-P energy: -158.962 bonds (distance) P-C4' energy: -202.609 flat angles C4'-P-C4' energy: -193.842 flat angles P-C4'-P energy: -128.429 tors. eta vs tors. theta energy: -261.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2910.803021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.803021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.803021 (E_RNA) where: Base-Base interactions energy: -1985.424 where: short stacking energy: -841.620 Base-Backbone interact. energy: -4.919 local terms energy: -920.460810 where: bonds (distance) C4'-P energy: -175.499 bonds (distance) P-C4' energy: -173.477 flat angles C4'-P-C4' energy: -200.605 flat angles P-C4'-P energy: -125.806 tors. eta vs tors. theta energy: -245.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2559.535488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.535488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.535488 (E_RNA) where: Base-Base interactions energy: -1691.982 where: short stacking energy: -735.349 Base-Backbone interact. energy: -0.066 local terms energy: -867.487613 where: bonds (distance) C4'-P energy: -171.495 bonds (distance) P-C4' energy: -177.139 flat angles C4'-P-C4' energy: -187.615 flat angles P-C4'-P energy: -115.807 tors. eta vs tors. theta energy: -215.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2481.362048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.362048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.362048 (E_RNA) where: Base-Base interactions energy: -1660.147 where: short stacking energy: -752.844 Base-Backbone interact. energy: -3.114 local terms energy: -818.101007 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -172.002 flat angles C4'-P-C4' energy: -189.074 flat angles P-C4'-P energy: -111.953 tors. eta vs tors. theta energy: -200.548 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: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2168.920127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.920127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.920127 (E_RNA) where: Base-Base interactions energy: -1402.359 where: short stacking energy: -634.995 Base-Backbone interact. energy: -0.756 local terms energy: -765.804850 where: bonds (distance) C4'-P energy: -149.521 bonds (distance) P-C4' energy: -161.250 flat angles C4'-P-C4' energy: -170.738 flat angles P-C4'-P energy: -97.425 tors. eta vs tors. theta energy: -186.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1692.161290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.161290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.161290 (E_RNA) where: Base-Base interactions energy: -1005.723 where: short stacking energy: -476.641 Base-Backbone interact. energy: 3.041 local terms energy: -689.479942 where: bonds (distance) C4'-P energy: -172.320 bonds (distance) P-C4' energy: -149.579 flat angles C4'-P-C4' energy: -151.426 flat angles P-C4'-P energy: -123.090 tors. eta vs tors. theta energy: -93.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1548.135959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.135959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.135959 (E_RNA) where: Base-Base interactions energy: -924.316 where: short stacking energy: -444.262 Base-Backbone interact. energy: 1.248 local terms energy: -625.068145 where: bonds (distance) C4'-P energy: -151.202 bonds (distance) P-C4' energy: -159.058 flat angles C4'-P-C4' energy: -150.923 flat angles P-C4'-P energy: -83.518 tors. eta vs tors. theta energy: -80.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -987.204299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.204299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.204299 (E_RNA) where: Base-Base interactions energy: -491.178 where: short stacking energy: -305.263 Base-Backbone interact. energy: 1.636 local terms energy: -497.662259 where: bonds (distance) C4'-P energy: -120.669 bonds (distance) P-C4' energy: -178.968 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -74.312 tors. eta vs tors. theta energy: 3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -858.912263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.912263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.912263 (E_RNA) where: Base-Base interactions energy: -411.389 where: short stacking energy: -239.638 Base-Backbone interact. energy: 0.752 local terms energy: -448.275695 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -133.505 flat angles C4'-P-C4' energy: -118.434 flat angles P-C4'-P energy: -82.841 tors. eta vs tors. theta energy: 30.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3135.408545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.408545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.408545 (E_RNA) where: Base-Base interactions energy: -2142.121 where: short stacking energy: -939.930 Base-Backbone interact. energy: -5.064 local terms energy: -988.223480 where: bonds (distance) C4'-P energy: -183.522 bonds (distance) P-C4' energy: -186.929 flat angles C4'-P-C4' energy: -198.069 flat angles P-C4'-P energy: -135.643 tors. eta vs tors. theta energy: -284.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -3032.012349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.012349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.012349 (E_RNA) where: Base-Base interactions energy: -2075.948 where: short stacking energy: -844.128 Base-Backbone interact. energy: -2.921 local terms energy: -953.142998 where: bonds (distance) C4'-P energy: -182.814 bonds (distance) P-C4' energy: -170.452 flat angles C4'-P-C4' energy: -200.439 flat angles P-C4'-P energy: -155.775 tors. eta vs tors. theta energy: -243.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2903.270572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.270572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.270572 (E_RNA) where: Base-Base interactions energy: -2003.756 where: short stacking energy: -833.278 Base-Backbone interact. energy: -3.556 local terms energy: -895.958153 where: bonds (distance) C4'-P energy: -167.054 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -202.727 flat angles P-C4'-P energy: -142.217 tors. eta vs tors. theta energy: -251.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2594.987040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.987040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.987040 (E_RNA) where: Base-Base interactions energy: -1737.874 where: short stacking energy: -764.271 Base-Backbone interact. energy: -4.241 local terms energy: -852.872238 where: bonds (distance) C4'-P energy: -154.756 bonds (distance) P-C4' energy: -172.101 flat angles C4'-P-C4' energy: -196.893 flat angles P-C4'-P energy: -108.806 tors. eta vs tors. theta energy: -220.315 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: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2494.999382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.999382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.999382 (E_RNA) where: Base-Base interactions energy: -1673.268 where: short stacking energy: -718.788 Base-Backbone interact. energy: 1.812 local terms energy: -823.543949 where: bonds (distance) C4'-P energy: -170.781 bonds (distance) P-C4' energy: -154.015 flat angles C4'-P-C4' energy: -185.564 flat angles P-C4'-P energy: -124.776 tors. eta vs tors. theta energy: -188.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2137.315905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.315905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.315905 (E_RNA) where: Base-Base interactions energy: -1388.708 where: short stacking energy: -623.717 Base-Backbone interact. energy: -2.564 local terms energy: -746.043450 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -185.462 flat angles C4'-P-C4' energy: -161.187 flat angles P-C4'-P energy: -99.514 tors. eta vs tors. theta energy: -166.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1698.176113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.176113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.176113 (E_RNA) where: Base-Base interactions energy: -1010.770 where: short stacking energy: -479.971 Base-Backbone interact. energy: -3.048 local terms energy: -684.358283 where: bonds (distance) C4'-P energy: -156.729 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -176.671 flat angles P-C4'-P energy: -96.777 tors. eta vs tors. theta energy: -85.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1531.615456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.615456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.615456 (E_RNA) where: Base-Base interactions energy: -910.985 where: short stacking energy: -433.642 Base-Backbone interact. energy: 5.561 local terms energy: -626.191675 where: bonds (distance) C4'-P energy: -149.413 bonds (distance) P-C4' energy: -176.206 flat angles C4'-P-C4' energy: -142.401 flat angles P-C4'-P energy: -88.514 tors. eta vs tors. theta energy: -69.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -984.462603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.462603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.462603 (E_RNA) where: Base-Base interactions energy: -484.087 where: short stacking energy: -270.700 Base-Backbone interact. energy: -0.555 local terms energy: -499.820803 where: bonds (distance) C4'-P energy: -154.868 bonds (distance) P-C4' energy: -125.762 flat angles C4'-P-C4' energy: -140.428 flat angles P-C4'-P energy: -58.125 tors. eta vs tors. theta energy: -20.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -793.683898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.683898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.683898 (E_RNA) where: Base-Base interactions energy: -342.738 where: short stacking energy: -198.210 Base-Backbone interact. energy: 4.135 local terms energy: -455.080854 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -136.901 flat angles C4'-P-C4' energy: -145.080 flat angles P-C4'-P energy: -85.029 tors. eta vs tors. theta energy: 41.781 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: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3146.621925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.621925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.621925 (E_RNA) where: Base-Base interactions energy: -2156.161 where: short stacking energy: -952.022 Base-Backbone interact. energy: -2.979 local terms energy: -987.482753 where: bonds (distance) C4'-P energy: -177.125 bonds (distance) P-C4' energy: -193.449 flat angles C4'-P-C4' energy: -204.665 flat angles P-C4'-P energy: -133.029 tors. eta vs tors. theta energy: -279.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -3041.242986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.242986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.242986 (E_RNA) where: Base-Base interactions energy: -2095.673 where: short stacking energy: -891.609 Base-Backbone interact. energy: -1.683 local terms energy: -943.886608 where: bonds (distance) C4'-P energy: -185.453 bonds (distance) P-C4' energy: -165.150 flat angles C4'-P-C4' energy: -207.031 flat angles P-C4'-P energy: -133.141 tors. eta vs tors. theta energy: -253.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2888.734049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.734049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.734049 (E_RNA) where: Base-Base interactions energy: -1956.391 where: short stacking energy: -835.848 Base-Backbone interact. energy: 3.782 local terms energy: -936.124655 where: bonds (distance) C4'-P energy: -164.184 bonds (distance) P-C4' energy: -182.331 flat angles C4'-P-C4' energy: -204.587 flat angles P-C4'-P energy: -138.270 tors. eta vs tors. theta energy: -246.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2576.829649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.829649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.829649 (E_RNA) where: Base-Base interactions energy: -1738.670 where: short stacking energy: -752.260 Base-Backbone interact. energy: -0.646 local terms energy: -837.514140 where: bonds (distance) C4'-P energy: -149.027 bonds (distance) P-C4' energy: -174.834 flat angles C4'-P-C4' energy: -179.329 flat angles P-C4'-P energy: -114.534 tors. eta vs tors. theta energy: -219.790 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: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2375.373946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.373946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.373946 (E_RNA) where: Base-Base interactions energy: -1555.286 where: short stacking energy: -667.853 Base-Backbone interact. energy: -4.543 local terms energy: -815.544512 where: bonds (distance) C4'-P energy: -167.092 bonds (distance) P-C4' energy: -167.075 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -113.854 tors. eta vs tors. theta energy: -187.637 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: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2178.676029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.676029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.676029 (E_RNA) where: Base-Base interactions energy: -1406.707 where: short stacking energy: -649.798 Base-Backbone interact. energy: 3.519 local terms energy: -775.488182 where: bonds (distance) C4'-P energy: -142.379 bonds (distance) P-C4' energy: -160.355 flat angles C4'-P-C4' energy: -190.904 flat angles P-C4'-P energy: -104.123 tors. eta vs tors. theta energy: -177.726 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: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1696.175738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.175738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.175738 (E_RNA) where: Base-Base interactions energy: -1046.526 where: short stacking energy: -470.885 Base-Backbone interact. energy: -3.302 local terms energy: -646.347033 where: bonds (distance) C4'-P energy: -154.742 bonds (distance) P-C4' energy: -170.077 flat angles C4'-P-C4' energy: -149.842 flat angles P-C4'-P energy: -85.193 tors. eta vs tors. theta energy: -86.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1546.316653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.316653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.316653 (E_RNA) where: Base-Base interactions energy: -936.538 where: short stacking energy: -456.864 Base-Backbone interact. energy: 1.763 local terms energy: -611.541766 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -157.269 flat angles C4'-P-C4' energy: -167.517 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -66.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1051.172578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.172578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.172578 (E_RNA) where: Base-Base interactions energy: -541.914 where: short stacking energy: -284.295 Base-Backbone interact. energy: -2.716 local terms energy: -506.542051 where: bonds (distance) C4'-P energy: -147.693 bonds (distance) P-C4' energy: -161.367 flat angles C4'-P-C4' energy: -127.920 flat angles P-C4'-P energy: -68.322 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -822.990470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.990470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.990470 (E_RNA) where: Base-Base interactions energy: -354.778 where: short stacking energy: -247.050 Base-Backbone interact. energy: -1.941 local terms energy: -466.271586 where: bonds (distance) C4'-P energy: -139.984 bonds (distance) P-C4' energy: -151.327 flat angles C4'-P-C4' energy: -140.315 flat angles P-C4'-P energy: -74.489 tors. eta vs tors. theta energy: 39.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3165.073656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.073656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.073656 (E_RNA) where: Base-Base interactions energy: -2162.588 where: short stacking energy: -942.260 Base-Backbone interact. energy: -3.995 local terms energy: -998.491050 where: bonds (distance) C4'-P energy: -180.977 bonds (distance) P-C4' energy: -198.540 flat angles C4'-P-C4' energy: -201.041 flat angles P-C4'-P energy: -132.390 tors. eta vs tors. theta energy: -285.544 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: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -3021.850402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.850402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.850402 (E_RNA) where: Base-Base interactions energy: -2076.224 where: short stacking energy: -877.202 Base-Backbone interact. energy: -2.425 local terms energy: -943.201456 where: bonds (distance) C4'-P energy: -180.621 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -201.391 flat angles P-C4'-P energy: -137.455 tors. eta vs tors. theta energy: -246.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2919.214747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.214747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.214747 (E_RNA) where: Base-Base interactions energy: -1995.321 where: short stacking energy: -878.071 Base-Backbone interact. energy: 3.028 local terms energy: -926.921777 where: bonds (distance) C4'-P energy: -181.315 bonds (distance) P-C4' energy: -167.782 flat angles C4'-P-C4' energy: -201.604 flat angles P-C4'-P energy: -114.973 tors. eta vs tors. theta energy: -261.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2579.927596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.927596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.927596 (E_RNA) where: Base-Base interactions energy: -1738.040 where: short stacking energy: -768.029 Base-Backbone interact. energy: 1.845 local terms energy: -843.733435 where: bonds (distance) C4'-P energy: -167.184 bonds (distance) P-C4' energy: -178.532 flat angles C4'-P-C4' energy: -166.248 flat angles P-C4'-P energy: -121.854 tors. eta vs tors. theta energy: -209.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2385.993059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.993059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.993059 (E_RNA) where: Base-Base interactions energy: -1572.322 where: short stacking energy: -681.568 Base-Backbone interact. energy: -3.199 local terms energy: -810.471586 where: bonds (distance) C4'-P energy: -157.947 bonds (distance) P-C4' energy: -160.012 flat angles C4'-P-C4' energy: -183.744 flat angles P-C4'-P energy: -114.519 tors. eta vs tors. theta energy: -194.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2115.090205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.090205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.090205 (E_RNA) where: Base-Base interactions energy: -1346.662 where: short stacking energy: -588.160 Base-Backbone interact. energy: -1.004 local terms energy: -767.424684 where: bonds (distance) C4'-P energy: -153.892 bonds (distance) P-C4' energy: -170.203 flat angles C4'-P-C4' energy: -169.024 flat angles P-C4'-P energy: -123.829 tors. eta vs tors. theta energy: -150.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1698.918344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.918344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.918344 (E_RNA) where: Base-Base interactions energy: -1057.703 where: short stacking energy: -475.895 Base-Backbone interact. energy: -1.028 local terms energy: -640.187648 where: bonds (distance) C4'-P energy: -150.569 bonds (distance) P-C4' energy: -169.564 flat angles C4'-P-C4' energy: -138.100 flat angles P-C4'-P energy: -88.472 tors. eta vs tors. theta energy: -93.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1454.211059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.211059 (E_RNA) where: Base-Base interactions energy: -855.953 where: short stacking energy: -405.841 Base-Backbone interact. energy: 3.281 local terms energy: -601.539023 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -159.191 flat angles C4'-P-C4' energy: -156.553 flat angles P-C4'-P energy: -91.651 tors. eta vs tors. theta energy: -59.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1071.967328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.967328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.967328 (E_RNA) where: Base-Base interactions energy: -566.556 where: short stacking energy: -278.806 Base-Backbone interact. energy: 3.679 local terms energy: -509.090363 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -161.670 flat angles C4'-P-C4' energy: -131.594 flat angles P-C4'-P energy: -85.621 tors. eta vs tors. theta energy: 12.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -793.138444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.138444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.138444 (E_RNA) where: Base-Base interactions energy: -341.378 where: short stacking energy: -202.545 Base-Backbone interact. energy: 4.828 local terms energy: -456.587900 where: bonds (distance) C4'-P energy: -130.586 bonds (distance) P-C4' energy: -173.086 flat angles C4'-P-C4' energy: -111.083 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: 37.137 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: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3134.225132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.225132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.225132 (E_RNA) where: Base-Base interactions energy: -2138.684 where: short stacking energy: -923.324 Base-Backbone interact. energy: -0.586 local terms energy: -994.955013 where: bonds (distance) C4'-P energy: -180.010 bonds (distance) P-C4' energy: -174.991 flat angles C4'-P-C4' energy: -211.114 flat angles P-C4'-P energy: -149.753 tors. eta vs tors. theta energy: -279.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3035.183522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.183522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.183522 (E_RNA) where: Base-Base interactions energy: -2081.579 where: short stacking energy: -854.909 Base-Backbone interact. energy: 6.151 local terms energy: -959.755862 where: bonds (distance) C4'-P energy: -182.450 bonds (distance) P-C4' energy: -170.061 flat angles C4'-P-C4' energy: -208.880 flat angles P-C4'-P energy: -135.207 tors. eta vs tors. theta energy: -263.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2962.260484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.260484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.260484 (E_RNA) where: Base-Base interactions energy: -1993.797 where: short stacking energy: -864.805 Base-Backbone interact. energy: 3.225 local terms energy: -971.688414 where: bonds (distance) C4'-P energy: -186.471 bonds (distance) P-C4' energy: -188.718 flat angles C4'-P-C4' energy: -202.507 flat angles P-C4'-P energy: -133.633 tors. eta vs tors. theta energy: -260.360 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: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2574.757346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.757346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.757346 (E_RNA) where: Base-Base interactions energy: -1719.358 where: short stacking energy: -752.301 Base-Backbone interact. energy: -0.332 local terms energy: -855.067793 where: bonds (distance) C4'-P energy: -157.031 bonds (distance) P-C4' energy: -162.261 flat angles C4'-P-C4' energy: -186.635 flat angles P-C4'-P energy: -116.675 tors. eta vs tors. theta energy: -232.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2384.656602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.656602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.656602 (E_RNA) where: Base-Base interactions energy: -1572.485 where: short stacking energy: -703.093 Base-Backbone interact. energy: 0.791 local terms energy: -812.962443 where: bonds (distance) C4'-P energy: -159.726 bonds (distance) P-C4' energy: -174.655 flat angles C4'-P-C4' energy: -165.680 flat angles P-C4'-P energy: -119.348 tors. eta vs tors. theta energy: -193.554 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: 399 Temperature: 1.150000 Total energy: -2160.780215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.780215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.780215 (E_RNA) where: Base-Base interactions energy: -1424.851 where: short stacking energy: -622.044 Base-Backbone interact. energy: -2.459 local terms energy: -733.470567 where: bonds (distance) C4'-P energy: -142.072 bonds (distance) P-C4' energy: -149.259 flat angles C4'-P-C4' energy: -169.416 flat angles P-C4'-P energy: -109.313 tors. eta vs tors. theta energy: -163.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1776.674781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.674781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.674781 (E_RNA) where: Base-Base interactions energy: -1129.643 where: short stacking energy: -491.328 Base-Backbone interact. energy: 1.918 local terms energy: -648.950415 where: bonds (distance) C4'-P energy: -134.002 bonds (distance) P-C4' energy: -149.280 flat angles C4'-P-C4' energy: -151.276 flat angles P-C4'-P energy: -112.426 tors. eta vs tors. theta energy: -101.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1543.615837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.615837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.615837 (E_RNA) where: Base-Base interactions energy: -919.186 where: short stacking energy: -416.527 Base-Backbone interact. energy: -3.176 local terms energy: -621.254092 where: bonds (distance) C4'-P energy: -148.296 bonds (distance) P-C4' energy: -173.778 flat angles C4'-P-C4' energy: -152.116 flat angles P-C4'-P energy: -86.956 tors. eta vs tors. theta energy: -60.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -968.881642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.881642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.881642 (E_RNA) where: Base-Base interactions energy: -467.801 where: short stacking energy: -277.243 Base-Backbone interact. energy: 0.827 local terms energy: -501.908424 where: bonds (distance) C4'-P energy: -139.661 bonds (distance) P-C4' energy: -131.959 flat angles C4'-P-C4' energy: -116.328 flat angles P-C4'-P energy: -96.330 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -791.600890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.600890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.600890 (E_RNA) where: Base-Base interactions energy: -353.086 where: short stacking energy: -222.600 Base-Backbone interact. energy: 3.798 local terms energy: -442.312824 where: bonds (distance) C4'-P energy: -135.249 bonds (distance) P-C4' energy: -142.093 flat angles C4'-P-C4' energy: -124.392 flat angles P-C4'-P energy: -68.665 tors. eta vs tors. theta energy: 28.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3138.229289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.229289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.229289 (E_RNA) where: Base-Base interactions energy: -2176.118 where: short stacking energy: -930.860 Base-Backbone interact. energy: -5.244 local terms energy: -956.866890 where: bonds (distance) C4'-P energy: -169.112 bonds (distance) P-C4' energy: -165.414 flat angles C4'-P-C4' energy: -221.622 flat angles P-C4'-P energy: -130.586 tors. eta vs tors. theta energy: -270.132 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: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -3050.169245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.169245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.169245 (E_RNA) where: Base-Base interactions energy: -2111.211 where: short stacking energy: -896.538 Base-Backbone interact. energy: 2.608 local terms energy: -941.565874 where: bonds (distance) C4'-P energy: -167.809 bonds (distance) P-C4' energy: -173.243 flat angles C4'-P-C4' energy: -207.784 flat angles P-C4'-P energy: -141.621 tors. eta vs tors. theta energy: -251.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2863.870463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.870463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.870463 (E_RNA) where: Base-Base interactions energy: -1966.911 where: short stacking energy: -814.035 Base-Backbone interact. energy: -3.062 local terms energy: -893.897763 where: bonds (distance) C4'-P energy: -166.988 bonds (distance) P-C4' energy: -177.827 flat angles C4'-P-C4' energy: -181.652 flat angles P-C4'-P energy: -120.609 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: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2562.629361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.629361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.629361 (E_RNA) where: Base-Base interactions energy: -1758.957 where: short stacking energy: -729.789 Base-Backbone interact. energy: -3.263 local terms energy: -800.409331 where: bonds (distance) C4'-P energy: -152.400 bonds (distance) P-C4' energy: -150.641 flat angles C4'-P-C4' energy: -177.869 flat angles P-C4'-P energy: -117.578 tors. eta vs tors. theta energy: -201.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2390.842905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.842905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.842905 (E_RNA) where: Base-Base interactions energy: -1561.367 where: short stacking energy: -693.003 Base-Backbone interact. energy: -3.865 local terms energy: -825.610868 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -176.784 flat angles C4'-P-C4' energy: -191.656 flat angles P-C4'-P energy: -119.456 tors. eta vs tors. theta energy: -182.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2172.820722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.820722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.820722 (E_RNA) where: Base-Base interactions energy: -1415.154 where: short stacking energy: -630.269 Base-Backbone interact. energy: -6.140 local terms energy: -751.526696 where: bonds (distance) C4'-P energy: -159.108 bonds (distance) P-C4' energy: -159.799 flat angles C4'-P-C4' energy: -160.458 flat angles P-C4'-P energy: -97.876 tors. eta vs tors. theta energy: -174.286 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: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1674.163631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.163631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.163631 (E_RNA) where: Base-Base interactions energy: -1048.753 where: short stacking energy: -496.178 Base-Backbone interact. energy: -0.183 local terms energy: -625.228436 where: bonds (distance) C4'-P energy: -162.942 bonds (distance) P-C4' energy: -155.519 flat angles C4'-P-C4' energy: -133.606 flat angles P-C4'-P energy: -94.940 tors. eta vs tors. theta energy: -78.222 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: 400 Temperature: 1.250000 Total energy: -1535.743684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.743684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.743684 (E_RNA) where: Base-Base interactions energy: -933.391 where: short stacking energy: -432.103 Base-Backbone interact. energy: 3.793 local terms energy: -606.145055 where: bonds (distance) C4'-P energy: -128.617 bonds (distance) P-C4' energy: -154.641 flat angles C4'-P-C4' energy: -149.301 flat angles P-C4'-P energy: -99.517 tors. eta vs tors. theta energy: -74.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1004.252408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.252408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.252408 (E_RNA) where: Base-Base interactions energy: -500.998 where: short stacking energy: -293.772 Base-Backbone interact. energy: -0.167 local terms energy: -503.087082 where: bonds (distance) C4'-P energy: -136.799 bonds (distance) P-C4' energy: -148.484 flat angles C4'-P-C4' energy: -130.364 flat angles P-C4'-P energy: -86.170 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -736.870862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.870862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.870862 (E_RNA) where: Base-Base interactions energy: -238.455 where: short stacking energy: -177.543 Base-Backbone interact. energy: 0.297 local terms energy: -498.713353 where: bonds (distance) C4'-P energy: -159.418 bonds (distance) P-C4' energy: -153.062 flat angles C4'-P-C4' energy: -116.233 flat angles P-C4'-P energy: -90.180 tors. eta vs tors. theta energy: 20.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3161.963223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.963223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.963223 (E_RNA) where: Base-Base interactions energy: -2147.650 where: short stacking energy: -932.476 Base-Backbone interact. energy: 2.835 local terms energy: -1017.147879 where: bonds (distance) C4'-P energy: -189.864 bonds (distance) P-C4' energy: -196.383 flat angles C4'-P-C4' energy: -205.474 flat angles P-C4'-P energy: -154.075 tors. eta vs tors. theta energy: -271.352 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: 401 Temperature: 0.950000 Total energy: -3014.085805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.085805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.085805 (E_RNA) where: Base-Base interactions energy: -2068.727 where: short stacking energy: -896.105 Base-Backbone interact. energy: -0.436 local terms energy: -944.922812 where: bonds (distance) C4'-P energy: -170.152 bonds (distance) P-C4' energy: -174.410 flat angles C4'-P-C4' energy: -210.874 flat angles P-C4'-P energy: -132.537 tors. eta vs tors. theta energy: -256.950 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: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2894.177327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.177327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.177327 (E_RNA) where: Base-Base interactions energy: -1959.244 where: short stacking energy: -859.351 Base-Backbone interact. energy: -0.835 local terms energy: -934.098408 where: bonds (distance) C4'-P energy: -169.233 bonds (distance) P-C4' energy: -176.081 flat angles C4'-P-C4' energy: -206.074 flat angles P-C4'-P energy: -132.721 tors. eta vs tors. theta energy: -249.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2550.957706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.957706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.957706 (E_RNA) where: Base-Base interactions energy: -1715.595 where: short stacking energy: -763.011 Base-Backbone interact. energy: 1.207 local terms energy: -836.569277 where: bonds (distance) C4'-P energy: -156.026 bonds (distance) P-C4' energy: -169.987 flat angles C4'-P-C4' energy: -180.087 flat angles P-C4'-P energy: -115.032 tors. eta vs tors. theta energy: -215.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2419.775385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.775385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.775385 (E_RNA) where: Base-Base interactions energy: -1619.643 where: short stacking energy: -715.782 Base-Backbone interact. energy: -3.328 local terms energy: -796.804394 where: bonds (distance) C4'-P energy: -167.290 bonds (distance) P-C4' energy: -161.691 flat angles C4'-P-C4' energy: -162.425 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -196.012 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: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2206.629056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.629056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.629056 (E_RNA) where: Base-Base interactions energy: -1436.710 where: short stacking energy: -635.597 Base-Backbone interact. energy: 2.326 local terms energy: -772.245535 where: bonds (distance) C4'-P energy: -172.870 bonds (distance) P-C4' energy: -141.489 flat angles C4'-P-C4' energy: -163.724 flat angles P-C4'-P energy: -110.557 tors. eta vs tors. theta energy: -183.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1691.972698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.972698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.972698 (E_RNA) where: Base-Base interactions energy: -1037.050 where: short stacking energy: -473.080 Base-Backbone interact. energy: -1.216 local terms energy: -653.707138 where: bonds (distance) C4'-P energy: -130.894 bonds (distance) P-C4' energy: -150.264 flat angles C4'-P-C4' energy: -176.271 flat angles P-C4'-P energy: -122.733 tors. eta vs tors. theta energy: -73.546 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: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1549.636356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.636356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.636356 (E_RNA) where: Base-Base interactions energy: -962.612 where: short stacking energy: -418.550 Base-Backbone interact. energy: 7.359 local terms energy: -594.383504 where: bonds (distance) C4'-P energy: -143.195 bonds (distance) P-C4' energy: -154.552 flat angles C4'-P-C4' energy: -157.463 flat angles P-C4'-P energy: -83.925 tors. eta vs tors. theta energy: -55.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -921.262767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.262767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.262767 (E_RNA) where: Base-Base interactions energy: -443.720 where: short stacking energy: -238.561 Base-Backbone interact. energy: -1.080 local terms energy: -476.462504 where: bonds (distance) C4'-P energy: -139.952 bonds (distance) P-C4' energy: -135.038 flat angles C4'-P-C4' energy: -120.976 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -1.945 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: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -796.932729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.932729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.932729 (E_RNA) where: Base-Base interactions energy: -330.355 where: short stacking energy: -245.291 Base-Backbone interact. energy: -0.404 local terms energy: -466.173827 where: bonds (distance) C4'-P energy: -136.874 bonds (distance) P-C4' energy: -159.809 flat angles C4'-P-C4' energy: -121.600 flat angles P-C4'-P energy: -60.176 tors. eta vs tors. theta energy: 12.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3159.010184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.010184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.010184 (E_RNA) where: Base-Base interactions energy: -2169.563 where: short stacking energy: -934.017 Base-Backbone interact. energy: -6.286 local terms energy: -983.160848 where: bonds (distance) C4'-P energy: -164.805 bonds (distance) P-C4' energy: -191.402 flat angles C4'-P-C4' energy: -211.991 flat angles P-C4'-P energy: -127.590 tors. eta vs tors. theta energy: -287.373 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: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3026.725746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.725746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.725746 (E_RNA) where: Base-Base interactions energy: -2065.250 where: short stacking energy: -902.304 Base-Backbone interact. energy: -1.442 local terms energy: -960.033748 where: bonds (distance) C4'-P energy: -173.650 bonds (distance) P-C4' energy: -169.477 flat angles C4'-P-C4' energy: -215.563 flat angles P-C4'-P energy: -140.256 tors. eta vs tors. theta energy: -261.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2881.815801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.815801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.815801 (E_RNA) where: Base-Base interactions energy: -1964.124 where: short stacking energy: -876.267 Base-Backbone interact. energy: -1.717 local terms energy: -915.974583 where: bonds (distance) C4'-P energy: -151.987 bonds (distance) P-C4' energy: -177.057 flat angles C4'-P-C4' energy: -204.546 flat angles P-C4'-P energy: -116.170 tors. eta vs tors. theta energy: -266.214 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: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2581.032751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.032751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.032751 (E_RNA) where: Base-Base interactions energy: -1730.894 where: short stacking energy: -758.329 Base-Backbone interact. energy: -5.068 local terms energy: -845.070451 where: bonds (distance) C4'-P energy: -154.907 bonds (distance) P-C4' energy: -160.782 flat angles C4'-P-C4' energy: -188.285 flat angles P-C4'-P energy: -121.891 tors. eta vs tors. theta energy: -219.205 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: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2436.269688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.269688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.269688 (E_RNA) where: Base-Base interactions energy: -1584.643 where: short stacking energy: -716.133 Base-Backbone interact. energy: -0.917 local terms energy: -850.709323 where: bonds (distance) C4'-P energy: -188.008 bonds (distance) P-C4' energy: -163.862 flat angles C4'-P-C4' energy: -177.361 flat angles P-C4'-P energy: -114.949 tors. eta vs tors. theta energy: -206.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2182.303690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.303690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.303690 (E_RNA) where: Base-Base interactions energy: -1435.338 where: short stacking energy: -655.263 Base-Backbone interact. energy: -1.519 local terms energy: -745.446264 where: bonds (distance) C4'-P energy: -131.630 bonds (distance) P-C4' energy: -176.031 flat angles C4'-P-C4' energy: -158.527 flat angles P-C4'-P energy: -108.805 tors. eta vs tors. theta energy: -170.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1725.414011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.414011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.414011 (E_RNA) where: Base-Base interactions energy: -1080.144 where: short stacking energy: -495.190 Base-Backbone interact. energy: -4.729 local terms energy: -640.540937 where: bonds (distance) C4'-P energy: -151.950 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -167.837 flat angles P-C4'-P energy: -93.946 tors. eta vs tors. theta energy: -88.328 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: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1532.199758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.199758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.199758 (E_RNA) where: Base-Base interactions energy: -944.513 where: short stacking energy: -435.636 Base-Backbone interact. energy: 2.163 local terms energy: -589.850067 where: bonds (distance) C4'-P energy: -123.104 bonds (distance) P-C4' energy: -162.448 flat angles C4'-P-C4' energy: -150.596 flat angles P-C4'-P energy: -96.640 tors. eta vs tors. theta energy: -57.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1031.346095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.346095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.346095 (E_RNA) where: Base-Base interactions energy: -515.745 where: short stacking energy: -291.310 Base-Backbone interact. energy: 1.286 local terms energy: -516.887090 where: bonds (distance) C4'-P energy: -145.456 bonds (distance) P-C4' energy: -144.515 flat angles C4'-P-C4' energy: -138.226 flat angles P-C4'-P energy: -65.935 tors. eta vs tors. theta energy: -22.755 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: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -780.925275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.925275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.925275 (E_RNA) where: Base-Base interactions energy: -321.232 where: short stacking energy: -203.088 Base-Backbone interact. energy: 2.809 local terms energy: -462.502482 where: bonds (distance) C4'-P energy: -136.262 bonds (distance) P-C4' energy: -157.596 flat angles C4'-P-C4' energy: -97.326 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: 21.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3169.750981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.750981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.750981 (E_RNA) where: Base-Base interactions energy: -2182.061 where: short stacking energy: -925.299 Base-Backbone interact. energy: -3.400 local terms energy: -984.289921 where: bonds (distance) C4'-P energy: -187.480 bonds (distance) P-C4' energy: -180.241 flat angles C4'-P-C4' energy: -202.008 flat angles P-C4'-P energy: -130.755 tors. eta vs tors. theta energy: -283.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3004.884168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.884168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.884168 (E_RNA) where: Base-Base interactions energy: -2063.807 where: short stacking energy: -919.122 Base-Backbone interact. energy: 0.748 local terms energy: -941.825251 where: bonds (distance) C4'-P energy: -176.283 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -213.979 flat angles P-C4'-P energy: -117.339 tors. eta vs tors. theta energy: -266.010 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: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2918.524393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.524393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.524393 (E_RNA) where: Base-Base interactions energy: -1991.503 where: short stacking energy: -872.425 Base-Backbone interact. energy: 0.188 local terms energy: -927.208517 where: bonds (distance) C4'-P energy: -167.877 bonds (distance) P-C4' energy: -178.588 flat angles C4'-P-C4' energy: -202.053 flat angles P-C4'-P energy: -113.204 tors. eta vs tors. theta energy: -265.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2540.901082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.901082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.901082 (E_RNA) where: Base-Base interactions energy: -1732.176 where: short stacking energy: -746.769 Base-Backbone interact. energy: 1.229 local terms energy: -809.954171 where: bonds (distance) C4'-P energy: -172.131 bonds (distance) P-C4' energy: -149.687 flat angles C4'-P-C4' energy: -173.296 flat angles P-C4'-P energy: -104.948 tors. eta vs tors. theta energy: -209.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2416.824500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.824500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.824500 (E_RNA) where: Base-Base interactions energy: -1574.666 where: short stacking energy: -751.848 Base-Backbone interact. energy: -2.365 local terms energy: -839.792624 where: bonds (distance) C4'-P energy: -166.563 bonds (distance) P-C4' energy: -173.879 flat angles C4'-P-C4' energy: -186.628 flat angles P-C4'-P energy: -110.205 tors. eta vs tors. theta energy: -202.518 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: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2173.743135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.743135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.743135 (E_RNA) where: Base-Base interactions energy: -1390.015 where: short stacking energy: -647.523 Base-Backbone interact. energy: 2.191 local terms energy: -785.918816 where: bonds (distance) C4'-P energy: -139.034 bonds (distance) P-C4' energy: -169.567 flat angles C4'-P-C4' energy: -183.380 flat angles P-C4'-P energy: -106.336 tors. eta vs tors. theta energy: -187.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1747.871203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.871203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.871203 (E_RNA) where: Base-Base interactions energy: -1073.903 where: short stacking energy: -501.599 Base-Backbone interact. energy: 2.348 local terms energy: -676.315879 where: bonds (distance) C4'-P energy: -150.492 bonds (distance) P-C4' energy: -174.070 flat angles C4'-P-C4' energy: -151.328 flat angles P-C4'-P energy: -103.505 tors. eta vs tors. theta energy: -96.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1496.542949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.542949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.542949 (E_RNA) where: Base-Base interactions energy: -890.791 where: short stacking energy: -381.584 Base-Backbone interact. energy: -4.192 local terms energy: -601.559271 where: bonds (distance) C4'-P energy: -161.820 bonds (distance) P-C4' energy: -153.557 flat angles C4'-P-C4' energy: -145.615 flat angles P-C4'-P energy: -90.344 tors. eta vs tors. theta energy: -50.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1119.397660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.397660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.397660 (E_RNA) where: Base-Base interactions energy: -586.974 where: short stacking energy: -297.423 Base-Backbone interact. energy: 2.671 local terms energy: -535.095049 where: bonds (distance) C4'-P energy: -126.132 bonds (distance) P-C4' energy: -150.214 flat angles C4'-P-C4' energy: -135.376 flat angles P-C4'-P energy: -111.663 tors. eta vs tors. theta energy: -11.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -854.013252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.013252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.013252 (E_RNA) where: Base-Base interactions energy: -391.467 where: short stacking energy: -220.739 Base-Backbone interact. energy: -2.595 local terms energy: -459.950611 where: bonds (distance) C4'-P energy: -151.275 bonds (distance) P-C4' energy: -139.845 flat angles C4'-P-C4' energy: -131.203 flat angles P-C4'-P energy: -56.924 tors. eta vs tors. theta energy: 19.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3157.291896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.291896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.291896 (E_RNA) where: Base-Base interactions energy: -2158.230 where: short stacking energy: -908.949 Base-Backbone interact. energy: -3.452 local terms energy: -995.610203 where: bonds (distance) C4'-P energy: -190.233 bonds (distance) P-C4' energy: -183.769 flat angles C4'-P-C4' energy: -206.309 flat angles P-C4'-P energy: -138.497 tors. eta vs tors. theta energy: -276.801 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: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3001.610108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.610108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.610108 (E_RNA) where: Base-Base interactions energy: -2076.342 where: short stacking energy: -868.494 Base-Backbone interact. energy: -4.697 local terms energy: -920.571290 where: bonds (distance) C4'-P energy: -161.371 bonds (distance) P-C4' energy: -172.987 flat angles C4'-P-C4' energy: -202.716 flat angles P-C4'-P energy: -130.363 tors. eta vs tors. theta energy: -253.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2926.932196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.932196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.932196 (E_RNA) where: Base-Base interactions energy: -1964.550 where: short stacking energy: -883.158 Base-Backbone interact. energy: 0.271 local terms energy: -962.652727 where: bonds (distance) C4'-P energy: -178.304 bonds (distance) P-C4' energy: -172.048 flat angles C4'-P-C4' energy: -201.320 flat angles P-C4'-P energy: -149.342 tors. eta vs tors. theta energy: -261.639 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: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2571.546992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.546992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.546992 (E_RNA) where: Base-Base interactions energy: -1714.339 where: short stacking energy: -755.596 Base-Backbone interact. energy: -2.414 local terms energy: -854.793651 where: bonds (distance) C4'-P energy: -162.123 bonds (distance) P-C4' energy: -165.191 flat angles C4'-P-C4' energy: -185.991 flat angles P-C4'-P energy: -128.929 tors. eta vs tors. theta energy: -212.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2383.457823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.457823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.457823 (E_RNA) where: Base-Base interactions energy: -1564.391 where: short stacking energy: -701.413 Base-Backbone interact. energy: 0.600 local terms energy: -819.666901 where: bonds (distance) C4'-P energy: -156.744 bonds (distance) P-C4' energy: -178.824 flat angles C4'-P-C4' energy: -185.179 flat angles P-C4'-P energy: -110.284 tors. eta vs tors. theta energy: -188.637 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: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2134.953703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.953703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.953703 (E_RNA) where: Base-Base interactions energy: -1392.051 where: short stacking energy: -653.819 Base-Backbone interact. energy: 0.232 local terms energy: -743.135131 where: bonds (distance) C4'-P energy: -160.268 bonds (distance) P-C4' energy: -161.174 flat angles C4'-P-C4' energy: -154.443 flat angles P-C4'-P energy: -100.190 tors. eta vs tors. theta energy: -167.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1664.296749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.296749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.296749 (E_RNA) where: Base-Base interactions energy: -1007.697 where: short stacking energy: -491.839 Base-Backbone interact. energy: -3.581 local terms energy: -653.019104 where: bonds (distance) C4'-P energy: -157.530 bonds (distance) P-C4' energy: -144.840 flat angles C4'-P-C4' energy: -171.084 flat angles P-C4'-P energy: -85.186 tors. eta vs tors. theta energy: -94.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1494.001503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.001503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.001503 (E_RNA) where: Base-Base interactions energy: -887.638 where: short stacking energy: -400.120 Base-Backbone interact. energy: 0.445 local terms energy: -606.807972 where: bonds (distance) C4'-P energy: -136.284 bonds (distance) P-C4' energy: -160.219 flat angles C4'-P-C4' energy: -148.927 flat angles P-C4'-P energy: -119.583 tors. eta vs tors. theta energy: -41.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1084.871504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.871504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.871504 (E_RNA) where: Base-Base interactions energy: -584.410 where: short stacking energy: -321.741 Base-Backbone interact. energy: 6.807 local terms energy: -507.269138 where: bonds (distance) C4'-P energy: -131.041 bonds (distance) P-C4' energy: -151.436 flat angles C4'-P-C4' energy: -147.540 flat angles P-C4'-P energy: -67.635 tors. eta vs tors. theta energy: -9.617 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -851.661654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.661654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.661654 (E_RNA) where: Base-Base interactions energy: -428.274 where: short stacking energy: -248.812 Base-Backbone interact. energy: -0.002 local terms energy: -423.385822 where: bonds (distance) C4'-P energy: -115.219 bonds (distance) P-C4' energy: -142.100 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: 25.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3123.902229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.902229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.902229 (E_RNA) where: Base-Base interactions energy: -2152.313 where: short stacking energy: -942.198 Base-Backbone interact. energy: -2.401 local terms energy: -969.187928 where: bonds (distance) C4'-P energy: -163.716 bonds (distance) P-C4' energy: -186.590 flat angles C4'-P-C4' energy: -200.974 flat angles P-C4'-P energy: -126.313 tors. eta vs tors. theta energy: -291.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2980.960602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.960602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.960602 (E_RNA) where: Base-Base interactions energy: -2020.444 where: short stacking energy: -883.996 Base-Backbone interact. energy: -0.923 local terms energy: -959.593542 where: bonds (distance) C4'-P energy: -179.509 bonds (distance) P-C4' energy: -175.487 flat angles C4'-P-C4' energy: -216.430 flat angles P-C4'-P energy: -115.686 tors. eta vs tors. theta energy: -272.481 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: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2936.260469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.260469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.260469 (E_RNA) where: Base-Base interactions energy: -2005.013 where: short stacking energy: -827.872 Base-Backbone interact. energy: -0.757 local terms energy: -930.489759 where: bonds (distance) C4'-P energy: -181.070 bonds (distance) P-C4' energy: -178.295 flat angles C4'-P-C4' energy: -198.249 flat angles P-C4'-P energy: -137.854 tors. eta vs tors. theta energy: -235.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2568.724869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.724869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.724869 (E_RNA) where: Base-Base interactions energy: -1734.507 where: short stacking energy: -751.940 Base-Backbone interact. energy: -1.669 local terms energy: -832.548578 where: bonds (distance) C4'-P energy: -150.998 bonds (distance) P-C4' energy: -165.488 flat angles C4'-P-C4' energy: -172.820 flat angles P-C4'-P energy: -126.601 tors. eta vs tors. theta energy: -216.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2443.286103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.286103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.286103 (E_RNA) where: Base-Base interactions energy: -1629.756 where: short stacking energy: -723.559 Base-Backbone interact. energy: 1.855 local terms energy: -815.384491 where: bonds (distance) C4'-P energy: -179.078 bonds (distance) P-C4' energy: -160.319 flat angles C4'-P-C4' energy: -190.564 flat angles P-C4'-P energy: -105.423 tors. eta vs tors. theta energy: -180.000 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2100.055876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.055876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.055876 (E_RNA) where: Base-Base interactions energy: -1344.812 where: short stacking energy: -602.765 Base-Backbone interact. energy: 0.785 local terms energy: -756.029716 where: bonds (distance) C4'-P energy: -169.622 bonds (distance) P-C4' energy: -165.084 flat angles C4'-P-C4' energy: -155.922 flat angles P-C4'-P energy: -105.848 tors. eta vs tors. theta energy: -159.554 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: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1710.539192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.539192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.539192 (E_RNA) where: Base-Base interactions energy: -1058.543 where: short stacking energy: -515.653 Base-Backbone interact. energy: -5.115 local terms energy: -646.880899 where: bonds (distance) C4'-P energy: -150.514 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -149.995 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -91.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1519.198256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.198256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.198256 (E_RNA) where: Base-Base interactions energy: -893.287 where: short stacking energy: -392.882 Base-Backbone interact. energy: 0.767 local terms energy: -626.677644 where: bonds (distance) C4'-P energy: -156.227 bonds (distance) P-C4' energy: -166.903 flat angles C4'-P-C4' energy: -148.200 flat angles P-C4'-P energy: -86.321 tors. eta vs tors. theta energy: -69.026 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: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1065.049691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.049691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.049691 (E_RNA) where: Base-Base interactions energy: -572.513 where: short stacking energy: -292.191 Base-Backbone interact. energy: -0.139 local terms energy: -492.398113 where: bonds (distance) C4'-P energy: -145.342 bonds (distance) P-C4' energy: -135.416 flat angles C4'-P-C4' energy: -119.719 flat angles P-C4'-P energy: -75.368 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -855.804977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.804977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.804977 (E_RNA) where: Base-Base interactions energy: -375.129 where: short stacking energy: -239.907 Base-Backbone interact. energy: 4.374 local terms energy: -485.050226 where: bonds (distance) C4'-P energy: -155.537 bonds (distance) P-C4' energy: -148.546 flat angles C4'-P-C4' energy: -107.622 flat angles P-C4'-P energy: -79.390 tors. eta vs tors. theta energy: 6.045 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: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3139.641819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.641819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.641819 (E_RNA) where: Base-Base interactions energy: -2187.659 where: short stacking energy: -958.324 Base-Backbone interact. energy: -0.635 local terms energy: -951.347680 where: bonds (distance) C4'-P energy: -167.402 bonds (distance) P-C4' energy: -183.172 flat angles C4'-P-C4' energy: -186.324 flat angles P-C4'-P energy: -130.283 tors. eta vs tors. theta energy: -284.166 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: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3022.831999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.831999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.831999 (E_RNA) where: Base-Base interactions energy: -2049.785 where: short stacking energy: -919.512 Base-Backbone interact. energy: 0.236 local terms energy: -973.282368 where: bonds (distance) C4'-P energy: -182.595 bonds (distance) P-C4' energy: -181.121 flat angles C4'-P-C4' energy: -202.947 flat angles P-C4'-P energy: -134.923 tors. eta vs tors. theta energy: -271.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2957.935084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.935084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.935084 (E_RNA) where: Base-Base interactions energy: -2030.269 where: short stacking energy: -837.812 Base-Backbone interact. energy: -4.944 local terms energy: -922.721863 where: bonds (distance) C4'-P energy: -165.752 bonds (distance) P-C4' energy: -172.636 flat angles C4'-P-C4' energy: -200.189 flat angles P-C4'-P energy: -134.173 tors. eta vs tors. theta energy: -249.972 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: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2584.032222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.032222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.032222 (E_RNA) where: Base-Base interactions energy: -1730.087 where: short stacking energy: -772.007 Base-Backbone interact. energy: -0.887 local terms energy: -853.057523 where: bonds (distance) C4'-P energy: -173.866 bonds (distance) P-C4' energy: -173.217 flat angles C4'-P-C4' energy: -183.434 flat angles P-C4'-P energy: -114.143 tors. eta vs tors. theta energy: -208.398 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: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2422.201639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.201639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.201639 (E_RNA) where: Base-Base interactions energy: -1626.371 where: short stacking energy: -686.199 Base-Backbone interact. energy: -1.516 local terms energy: -794.314733 where: bonds (distance) C4'-P energy: -163.483 bonds (distance) P-C4' energy: -162.242 flat angles C4'-P-C4' energy: -178.930 flat angles P-C4'-P energy: -107.003 tors. eta vs tors. theta energy: -182.656 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: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2113.733306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.733306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.733306 (E_RNA) where: Base-Base interactions energy: -1366.038 where: short stacking energy: -599.252 Base-Backbone interact. energy: 2.686 local terms energy: -750.381179 where: bonds (distance) C4'-P energy: -164.127 bonds (distance) P-C4' energy: -145.643 flat angles C4'-P-C4' energy: -169.431 flat angles P-C4'-P energy: -105.771 tors. eta vs tors. theta energy: -165.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1652.190862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.190862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.190862 (E_RNA) where: Base-Base interactions energy: -1034.155 where: short stacking energy: -464.476 Base-Backbone interact. energy: 0.800 local terms energy: -618.836181 where: bonds (distance) C4'-P energy: -129.777 bonds (distance) P-C4' energy: -158.452 flat angles C4'-P-C4' energy: -148.801 flat angles P-C4'-P energy: -102.065 tors. eta vs tors. theta energy: -79.741 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: 406 Temperature: 1.250000 Total energy: -1519.329826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.329826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.329826 (E_RNA) where: Base-Base interactions energy: -906.315 where: short stacking energy: -421.350 Base-Backbone interact. energy: -5.596 local terms energy: -607.418954 where: bonds (distance) C4'-P energy: -140.766 bonds (distance) P-C4' energy: -155.167 flat angles C4'-P-C4' energy: -144.472 flat angles P-C4'-P energy: -85.601 tors. eta vs tors. theta energy: -81.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1050.679148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.679148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.679148 (E_RNA) where: Base-Base interactions energy: -519.613 where: short stacking energy: -277.417 Base-Backbone interact. energy: 9.660 local terms energy: -540.725923 where: bonds (distance) C4'-P energy: -144.773 bonds (distance) P-C4' energy: -148.729 flat angles C4'-P-C4' energy: -144.517 flat angles P-C4'-P energy: -88.210 tors. eta vs tors. theta energy: -14.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -884.659581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.659581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.659581 (E_RNA) where: Base-Base interactions energy: -442.063 where: short stacking energy: -257.843 Base-Backbone interact. energy: -0.997 local terms energy: -441.599581 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -145.759 flat angles C4'-P-C4' energy: -108.441 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: 9.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3164.202382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.202382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.202382 (E_RNA) where: Base-Base interactions energy: -2157.040 where: short stacking energy: -942.616 Base-Backbone interact. energy: 2.731 local terms energy: -1009.892661 where: bonds (distance) C4'-P energy: -183.847 bonds (distance) P-C4' energy: -184.427 flat angles C4'-P-C4' energy: -216.850 flat angles P-C4'-P energy: -136.515 tors. eta vs tors. theta energy: -288.253 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: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2993.145928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.145928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.145928 (E_RNA) where: Base-Base interactions energy: -2040.258 where: short stacking energy: -916.588 Base-Backbone interact. energy: -4.050 local terms energy: -948.837711 where: bonds (distance) C4'-P energy: -177.430 bonds (distance) P-C4' energy: -170.088 flat angles C4'-P-C4' energy: -205.414 flat angles P-C4'-P energy: -132.307 tors. eta vs tors. theta energy: -263.599 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: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2876.685943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.685943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.685943 (E_RNA) where: Base-Base interactions energy: -2000.659 where: short stacking energy: -852.677 Base-Backbone interact. energy: -0.662 local terms energy: -875.364835 where: bonds (distance) C4'-P energy: -160.433 bonds (distance) P-C4' energy: -148.938 flat angles C4'-P-C4' energy: -193.920 flat angles P-C4'-P energy: -131.637 tors. eta vs tors. theta energy: -240.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2638.848605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.848605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.848605 (E_RNA) where: Base-Base interactions energy: -1766.465 where: short stacking energy: -796.734 Base-Backbone interact. energy: -3.948 local terms energy: -868.436197 where: bonds (distance) C4'-P energy: -181.980 bonds (distance) P-C4' energy: -173.180 flat angles C4'-P-C4' energy: -176.060 flat angles P-C4'-P energy: -114.007 tors. eta vs tors. theta energy: -223.210 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: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2371.457972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.457972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.457972 (E_RNA) where: Base-Base interactions energy: -1586.277 where: short stacking energy: -715.400 Base-Backbone interact. energy: -0.846 local terms energy: -784.335173 where: bonds (distance) C4'-P energy: -135.432 bonds (distance) P-C4' energy: -159.777 flat angles C4'-P-C4' energy: -175.920 flat angles P-C4'-P energy: -118.697 tors. eta vs tors. theta energy: -194.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2153.942316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.942316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.942316 (E_RNA) where: Base-Base interactions energy: -1392.572 where: short stacking energy: -631.743 Base-Backbone interact. energy: -0.141 local terms energy: -761.229416 where: bonds (distance) C4'-P energy: -141.882 bonds (distance) P-C4' energy: -164.347 flat angles C4'-P-C4' energy: -170.648 flat angles P-C4'-P energy: -119.565 tors. eta vs tors. theta energy: -164.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1739.122736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.122736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.122736 (E_RNA) where: Base-Base interactions energy: -1066.989 where: short stacking energy: -489.368 Base-Backbone interact. energy: -3.940 local terms energy: -668.194003 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -159.224 flat angles C4'-P-C4' energy: -147.846 flat angles P-C4'-P energy: -104.102 tors. eta vs tors. theta energy: -106.854 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: 407 Temperature: 1.250000 Total energy: -1551.391565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.391565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.391565 (E_RNA) where: Base-Base interactions energy: -938.217 where: short stacking energy: -398.966 Base-Backbone interact. energy: -1.335 local terms energy: -611.839708 where: bonds (distance) C4'-P energy: -133.943 bonds (distance) P-C4' energy: -172.894 flat angles C4'-P-C4' energy: -159.305 flat angles P-C4'-P energy: -85.576 tors. eta vs tors. theta energy: -60.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1051.601603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.601603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.601603 (E_RNA) where: Base-Base interactions energy: -538.610 where: short stacking energy: -284.427 Base-Backbone interact. energy: 2.537 local terms energy: -515.529325 where: bonds (distance) C4'-P energy: -130.680 bonds (distance) P-C4' energy: -151.114 flat angles C4'-P-C4' energy: -140.772 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -10.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -917.595928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.595928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.595928 (E_RNA) where: Base-Base interactions energy: -429.325 where: short stacking energy: -269.128 Base-Backbone interact. energy: 0.791 local terms energy: -489.062370 where: bonds (distance) C4'-P energy: -142.285 bonds (distance) P-C4' energy: -152.334 flat angles C4'-P-C4' energy: -110.360 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3124.765427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.765427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.765427 (E_RNA) where: Base-Base interactions energy: -2135.665 where: short stacking energy: -964.209 Base-Backbone interact. energy: -0.234 local terms energy: -988.867175 where: bonds (distance) C4'-P energy: -174.200 bonds (distance) P-C4' energy: -176.859 flat angles C4'-P-C4' energy: -203.793 flat angles P-C4'-P energy: -136.243 tors. eta vs tors. theta energy: -297.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3021.789972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.789972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.789972 (E_RNA) where: Base-Base interactions energy: -2035.376 where: short stacking energy: -873.721 Base-Backbone interact. energy: -5.749 local terms energy: -980.664922 where: bonds (distance) C4'-P energy: -177.506 bonds (distance) P-C4' energy: -181.173 flat angles C4'-P-C4' energy: -211.574 flat angles P-C4'-P energy: -143.116 tors. eta vs tors. theta energy: -267.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2923.941767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.941767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.941767 (E_RNA) where: Base-Base interactions energy: -2043.866 where: short stacking energy: -837.379 Base-Backbone interact. energy: -0.310 local terms energy: -879.766204 where: bonds (distance) C4'-P energy: -152.866 bonds (distance) P-C4' energy: -172.285 flat angles C4'-P-C4' energy: -191.537 flat angles P-C4'-P energy: -131.695 tors. eta vs tors. theta energy: -231.383 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: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2623.168767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.168767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.168767 (E_RNA) where: Base-Base interactions energy: -1746.055 where: short stacking energy: -759.448 Base-Backbone interact. energy: 2.051 local terms energy: -879.164988 where: bonds (distance) C4'-P energy: -171.186 bonds (distance) P-C4' energy: -168.408 flat angles C4'-P-C4' energy: -194.293 flat angles P-C4'-P energy: -124.648 tors. eta vs tors. theta energy: -220.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2390.406468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.406468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.406468 (E_RNA) where: Base-Base interactions energy: -1605.059 where: short stacking energy: -713.079 Base-Backbone interact. energy: 9.405 local terms energy: -794.752656 where: bonds (distance) C4'-P energy: -158.861 bonds (distance) P-C4' energy: -158.163 flat angles C4'-P-C4' energy: -178.123 flat angles P-C4'-P energy: -106.235 tors. eta vs tors. theta energy: -193.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2189.476069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.476069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.476069 (E_RNA) where: Base-Base interactions energy: -1402.382 where: short stacking energy: -649.600 Base-Backbone interact. energy: -0.776 local terms energy: -786.317915 where: bonds (distance) C4'-P energy: -164.118 bonds (distance) P-C4' energy: -152.695 flat angles C4'-P-C4' energy: -183.612 flat angles P-C4'-P energy: -100.811 tors. eta vs tors. theta energy: -185.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1719.257828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.257828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.257828 (E_RNA) where: Base-Base interactions energy: -1052.069 where: short stacking energy: -503.555 Base-Backbone interact. energy: 1.105 local terms energy: -668.293938 where: bonds (distance) C4'-P energy: -147.610 bonds (distance) P-C4' energy: -157.119 flat angles C4'-P-C4' energy: -142.698 flat angles P-C4'-P energy: -102.993 tors. eta vs tors. theta energy: -117.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1551.513957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.513957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.513957 (E_RNA) where: Base-Base interactions energy: -948.209 where: short stacking energy: -456.329 Base-Backbone interact. energy: -2.393 local terms energy: -600.911805 where: bonds (distance) C4'-P energy: -150.068 bonds (distance) P-C4' energy: -124.820 flat angles C4'-P-C4' energy: -153.347 flat angles P-C4'-P energy: -88.116 tors. eta vs tors. theta energy: -84.561 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: 9, replica: 1 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1025.773802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.773802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.773802 (E_RNA) where: Base-Base interactions energy: -516.995 where: short stacking energy: -298.791 Base-Backbone interact. energy: 0.155 local terms energy: -508.933586 where: bonds (distance) C4'-P energy: -146.432 bonds (distance) P-C4' energy: -153.950 flat angles C4'-P-C4' energy: -137.457 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -11.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -837.847939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.847939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.847939 (E_RNA) where: Base-Base interactions energy: -365.311 where: short stacking energy: -224.945 Base-Backbone interact. energy: -0.969 local terms energy: -471.568226 where: bonds (distance) C4'-P energy: -137.819 bonds (distance) P-C4' energy: -159.351 flat angles C4'-P-C4' energy: -126.363 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: 37.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3135.036954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.036954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.036954 (E_RNA) where: Base-Base interactions energy: -2129.935 where: short stacking energy: -959.986 Base-Backbone interact. energy: -0.990 local terms energy: -1004.112050 where: bonds (distance) C4'-P energy: -176.459 bonds (distance) P-C4' energy: -200.885 flat angles C4'-P-C4' energy: -216.687 flat angles P-C4'-P energy: -119.816 tors. eta vs tors. theta energy: -290.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3007.065115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.065115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.065115 (E_RNA) where: Base-Base interactions energy: -2082.129 where: short stacking energy: -881.813 Base-Backbone interact. energy: -2.423 local terms energy: -922.513274 where: bonds (distance) C4'-P energy: -190.345 bonds (distance) P-C4' energy: -170.462 flat angles C4'-P-C4' energy: -203.236 flat angles P-C4'-P energy: -112.468 tors. eta vs tors. theta energy: -246.002 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: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2976.035768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.035768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.035768 (E_RNA) where: Base-Base interactions energy: -2041.500 where: short stacking energy: -905.580 Base-Backbone interact. energy: -3.666 local terms energy: -930.869870 where: bonds (distance) C4'-P energy: -173.075 bonds (distance) P-C4' energy: -167.537 flat angles C4'-P-C4' energy: -200.000 flat angles P-C4'-P energy: -130.056 tors. eta vs tors. theta energy: -260.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2659.808791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.808791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.808791 (E_RNA) where: Base-Base interactions energy: -1780.652 where: short stacking energy: -777.689 Base-Backbone interact. energy: -0.611 local terms energy: -878.545665 where: bonds (distance) C4'-P energy: -154.201 bonds (distance) P-C4' energy: -178.020 flat angles C4'-P-C4' energy: -197.849 flat angles P-C4'-P energy: -128.611 tors. eta vs tors. theta energy: -219.864 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: 409 Temperature: 1.100000 Total energy: -2359.823607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.823607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.823607 (E_RNA) where: Base-Base interactions energy: -1544.911 where: short stacking energy: -690.128 Base-Backbone interact. energy: -1.691 local terms energy: -813.222352 where: bonds (distance) C4'-P energy: -162.377 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -181.043 flat angles P-C4'-P energy: -120.333 tors. eta vs tors. theta energy: -189.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2141.199466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.199466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.199466 (E_RNA) where: Base-Base interactions energy: -1376.855 where: short stacking energy: -625.581 Base-Backbone interact. energy: 2.011 local terms energy: -766.355491 where: bonds (distance) C4'-P energy: -163.105 bonds (distance) P-C4' energy: -153.047 flat angles C4'-P-C4' energy: -179.660 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -172.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1748.455471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.455471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.455471 (E_RNA) where: Base-Base interactions energy: -1131.274 where: short stacking energy: -503.828 Base-Backbone interact. energy: 1.808 local terms energy: -618.989811 where: bonds (distance) C4'-P energy: -141.598 bonds (distance) P-C4' energy: -140.759 flat angles C4'-P-C4' energy: -146.730 flat angles P-C4'-P energy: -93.705 tors. eta vs tors. theta energy: -96.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1444.763855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.763855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.763855 (E_RNA) where: Base-Base interactions energy: -862.974 where: short stacking energy: -411.255 Base-Backbone interact. energy: 2.060 local terms energy: -583.850124 where: bonds (distance) C4'-P energy: -145.084 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -147.652 flat angles P-C4'-P energy: -87.623 tors. eta vs tors. theta energy: -57.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1038.630828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.630828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.630828 (E_RNA) where: Base-Base interactions energy: -540.670 where: short stacking energy: -291.989 Base-Backbone interact. energy: 0.256 local terms energy: -498.216028 where: bonds (distance) C4'-P energy: -151.104 bonds (distance) P-C4' energy: -140.933 flat angles C4'-P-C4' energy: -135.995 flat angles P-C4'-P energy: -62.532 tors. eta vs tors. theta energy: -7.651 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: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -893.281710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.281710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.281710 (E_RNA) where: Base-Base interactions energy: -414.346 where: short stacking energy: -249.659 Base-Backbone interact. energy: -1.028 local terms energy: -477.907352 where: bonds (distance) C4'-P energy: -120.890 bonds (distance) P-C4' energy: -162.596 flat angles C4'-P-C4' energy: -121.871 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: 4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3147.200185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.200185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.200185 (E_RNA) where: Base-Base interactions energy: -2125.373 where: short stacking energy: -934.426 Base-Backbone interact. energy: 5.524 local terms energy: -1027.350584 where: bonds (distance) C4'-P energy: -196.878 bonds (distance) P-C4' energy: -190.072 flat angles C4'-P-C4' energy: -209.120 flat angles P-C4'-P energy: -135.623 tors. eta vs tors. theta energy: -295.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3020.663541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.663541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.663541 (E_RNA) where: Base-Base interactions energy: -2076.997 where: short stacking energy: -874.482 Base-Backbone interact. energy: -2.075 local terms energy: -941.591748 where: bonds (distance) C4'-P energy: -171.265 bonds (distance) P-C4' energy: -182.182 flat angles C4'-P-C4' energy: -197.368 flat angles P-C4'-P energy: -141.127 tors. eta vs tors. theta energy: -249.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2925.068111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.068111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.068111 (E_RNA) where: Base-Base interactions energy: -1991.489 where: short stacking energy: -855.193 Base-Backbone interact. energy: -4.535 local terms energy: -929.043937 where: bonds (distance) C4'-P energy: -184.586 bonds (distance) P-C4' energy: -167.148 flat angles C4'-P-C4' energy: -195.222 flat angles P-C4'-P energy: -133.521 tors. eta vs tors. theta energy: -248.567 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: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2644.778403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.778403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.778403 (E_RNA) where: Base-Base interactions energy: -1753.033 where: short stacking energy: -786.952 Base-Backbone interact. energy: -1.489 local terms energy: -890.256432 where: bonds (distance) C4'-P energy: -153.889 bonds (distance) P-C4' energy: -176.792 flat angles C4'-P-C4' energy: -199.976 flat angles P-C4'-P energy: -125.507 tors. eta vs tors. theta energy: -234.094 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: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2343.726230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.726230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.726230 (E_RNA) where: Base-Base interactions energy: -1578.501 where: short stacking energy: -718.984 Base-Backbone interact. energy: 5.594 local terms energy: -770.819581 where: bonds (distance) C4'-P energy: -153.931 bonds (distance) P-C4' energy: -176.226 flat angles C4'-P-C4' energy: -165.235 flat angles P-C4'-P energy: -87.296 tors. eta vs tors. theta energy: -188.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2128.702337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.702337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.702337 (E_RNA) where: Base-Base interactions energy: -1369.738 where: short stacking energy: -611.328 Base-Backbone interact. energy: -3.572 local terms energy: -755.392257 where: bonds (distance) C4'-P energy: -163.834 bonds (distance) P-C4' energy: -156.498 flat angles C4'-P-C4' energy: -177.672 flat angles P-C4'-P energy: -88.512 tors. eta vs tors. theta energy: -168.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1651.538223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.538223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.538223 (E_RNA) where: Base-Base interactions energy: -998.955 where: short stacking energy: -486.732 Base-Backbone interact. energy: -0.654 local terms energy: -651.928624 where: bonds (distance) C4'-P energy: -154.222 bonds (distance) P-C4' energy: -158.592 flat angles C4'-P-C4' energy: -150.207 flat angles P-C4'-P energy: -98.665 tors. eta vs tors. theta energy: -90.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1405.421719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.421719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.421719 (E_RNA) where: Base-Base interactions energy: -806.064 where: short stacking energy: -358.363 Base-Backbone interact. energy: -3.660 local terms energy: -595.697775 where: bonds (distance) C4'-P energy: -144.646 bonds (distance) P-C4' energy: -156.430 flat angles C4'-P-C4' energy: -141.776 flat angles P-C4'-P energy: -108.174 tors. eta vs tors. theta energy: -44.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -967.800703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.800703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.800703 (E_RNA) where: Base-Base interactions energy: -476.209 where: short stacking energy: -302.776 Base-Backbone interact. energy: 3.422 local terms energy: -495.013511 where: bonds (distance) C4'-P energy: -144.450 bonds (distance) P-C4' energy: -165.964 flat angles C4'-P-C4' energy: -113.158 flat angles P-C4'-P energy: -83.901 tors. eta vs tors. theta energy: 12.459 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: 410 Temperature: 1.350000 Total energy: -965.563828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.563828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.563828 (E_RNA) where: Base-Base interactions energy: -496.585 where: short stacking energy: -262.142 Base-Backbone interact. energy: 0.838 local terms energy: -469.816775 where: bonds (distance) C4'-P energy: -131.904 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -130.768 flat angles P-C4'-P energy: -69.543 tors. eta vs tors. theta energy: 10.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3161.522862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.522862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.522862 (E_RNA) where: Base-Base interactions energy: -2152.106 where: short stacking energy: -939.249 Base-Backbone interact. energy: -1.687 local terms energy: -1007.730108 where: bonds (distance) C4'-P energy: -178.566 bonds (distance) P-C4' energy: -180.331 flat angles C4'-P-C4' energy: -215.871 flat angles P-C4'-P energy: -147.266 tors. eta vs tors. theta energy: -285.695 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: 411 Temperature: 0.950000 Total energy: -3038.344120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.344120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.344120 (E_RNA) where: Base-Base interactions energy: -2084.196 where: short stacking energy: -900.559 Base-Backbone interact. energy: 0.362 local terms energy: -954.509448 where: bonds (distance) C4'-P energy: -181.888 bonds (distance) P-C4' energy: -168.247 flat angles C4'-P-C4' energy: -199.598 flat angles P-C4'-P energy: -143.202 tors. eta vs tors. theta energy: -261.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2932.314207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.314207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.314207 (E_RNA) where: Base-Base interactions energy: -2001.636 where: short stacking energy: -875.716 Base-Backbone interact. energy: -5.419 local terms energy: -925.259717 where: bonds (distance) C4'-P energy: -165.880 bonds (distance) P-C4' energy: -173.887 flat angles C4'-P-C4' energy: -209.459 flat angles P-C4'-P energy: -124.882 tors. eta vs tors. theta energy: -251.152 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: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2649.212088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.212088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.212088 (E_RNA) where: Base-Base interactions energy: -1753.132 where: short stacking energy: -763.289 Base-Backbone interact. energy: -4.322 local terms energy: -891.758271 where: bonds (distance) C4'-P energy: -156.447 bonds (distance) P-C4' energy: -176.678 flat angles C4'-P-C4' energy: -199.691 flat angles P-C4'-P energy: -143.618 tors. eta vs tors. theta energy: -215.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2359.980298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.980298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.980298 (E_RNA) where: Base-Base interactions energy: -1542.271 where: short stacking energy: -701.563 Base-Backbone interact. energy: -4.091 local terms energy: -813.617644 where: bonds (distance) C4'-P energy: -157.734 bonds (distance) P-C4' energy: -153.972 flat angles C4'-P-C4' energy: -189.929 flat angles P-C4'-P energy: -122.734 tors. eta vs tors. theta energy: -189.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2146.211560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.211560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.211560 (E_RNA) where: Base-Base interactions energy: -1385.983 where: short stacking energy: -623.391 Base-Backbone interact. energy: -1.021 local terms energy: -759.207532 where: bonds (distance) C4'-P energy: -159.253 bonds (distance) P-C4' energy: -160.688 flat angles C4'-P-C4' energy: -175.804 flat angles P-C4'-P energy: -104.758 tors. eta vs tors. theta energy: -158.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1662.192496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.192496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.192496 (E_RNA) where: Base-Base interactions energy: -1058.993 where: short stacking energy: -471.466 Base-Backbone interact. energy: -1.084 local terms energy: -602.114739 where: bonds (distance) C4'-P energy: -150.662 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -101.337 tors. eta vs tors. theta energy: -75.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1448.008841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.008841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.008841 (E_RNA) where: Base-Base interactions energy: -848.339 where: short stacking energy: -412.304 Base-Backbone interact. energy: 5.667 local terms energy: -605.337534 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -167.014 flat angles C4'-P-C4' energy: -175.607 flat angles P-C4'-P energy: -86.915 tors. eta vs tors. theta energy: -56.640 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: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -947.339660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.339660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.339660 (E_RNA) where: Base-Base interactions energy: -419.727 where: short stacking energy: -268.068 Base-Backbone interact. energy: -3.900 local terms energy: -523.712405 where: bonds (distance) C4'-P energy: -163.666 bonds (distance) P-C4' energy: -138.139 flat angles C4'-P-C4' energy: -141.788 flat angles P-C4'-P energy: -80.544 tors. eta vs tors. theta energy: 0.425 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: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1017.384129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.384129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.384129 (E_RNA) where: Base-Base interactions energy: -520.814 where: short stacking energy: -269.068 Base-Backbone interact. energy: 3.277 local terms energy: -499.847574 where: bonds (distance) C4'-P energy: -136.034 bonds (distance) P-C4' energy: -162.487 flat angles C4'-P-C4' energy: -126.328 flat angles P-C4'-P energy: -74.014 tors. eta vs tors. theta energy: -0.984 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: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3154.903900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.903900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.903900 (E_RNA) where: Base-Base interactions energy: -2159.223 where: short stacking energy: -933.691 Base-Backbone interact. energy: -1.987 local terms energy: -993.693646 where: bonds (distance) C4'-P energy: -178.425 bonds (distance) P-C4' energy: -188.595 flat angles C4'-P-C4' energy: -214.536 flat angles P-C4'-P energy: -123.298 tors. eta vs tors. theta energy: -288.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2987.477641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.477641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.477641 (E_RNA) where: Base-Base interactions energy: -2082.478 where: short stacking energy: -887.427 Base-Backbone interact. energy: 2.909 local terms energy: -907.907832 where: bonds (distance) C4'-P energy: -154.694 bonds (distance) P-C4' energy: -161.079 flat angles C4'-P-C4' energy: -195.943 flat angles P-C4'-P energy: -143.883 tors. eta vs tors. theta energy: -252.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2905.583585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.583585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.583585 (E_RNA) where: Base-Base interactions energy: -1958.285 where: short stacking energy: -842.442 Base-Backbone interact. energy: 3.325 local terms energy: -950.624003 where: bonds (distance) C4'-P energy: -192.444 bonds (distance) P-C4' energy: -190.194 flat angles C4'-P-C4' energy: -195.542 flat angles P-C4'-P energy: -121.241 tors. eta vs tors. theta energy: -251.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2599.057181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.057181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.057181 (E_RNA) where: Base-Base interactions energy: -1716.835 where: short stacking energy: -760.502 Base-Backbone interact. energy: -7.156 local terms energy: -875.066675 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -179.920 flat angles C4'-P-C4' energy: -178.096 flat angles P-C4'-P energy: -131.736 tors. eta vs tors. theta energy: -229.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2394.342220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.342220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.342220 (E_RNA) where: Base-Base interactions energy: -1563.870 where: short stacking energy: -707.293 Base-Backbone interact. energy: 0.818 local terms energy: -831.290232 where: bonds (distance) C4'-P energy: -153.648 bonds (distance) P-C4' energy: -174.957 flat angles C4'-P-C4' energy: -180.416 flat angles P-C4'-P energy: -126.198 tors. eta vs tors. theta energy: -196.071 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2195.104982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.104982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.104982 (E_RNA) where: Base-Base interactions energy: -1405.423 where: short stacking energy: -633.638 Base-Backbone interact. energy: -0.050 local terms energy: -789.631997 where: bonds (distance) C4'-P energy: -159.010 bonds (distance) P-C4' energy: -158.581 flat angles C4'-P-C4' energy: -174.764 flat angles P-C4'-P energy: -121.245 tors. eta vs tors. theta energy: -176.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1691.685869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.685869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.685869 (E_RNA) where: Base-Base interactions energy: -1032.792 where: short stacking energy: -491.754 Base-Backbone interact. energy: 3.210 local terms energy: -662.103353 where: bonds (distance) C4'-P energy: -153.843 bonds (distance) P-C4' energy: -157.441 flat angles C4'-P-C4' energy: -150.093 flat angles P-C4'-P energy: -107.962 tors. eta vs tors. theta energy: -92.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1452.142829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.142829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.142829 (E_RNA) where: Base-Base interactions energy: -872.759 where: short stacking energy: -426.764 Base-Backbone interact. energy: 0.140 local terms energy: -579.524076 where: bonds (distance) C4'-P energy: -123.119 bonds (distance) P-C4' energy: -153.236 flat angles C4'-P-C4' energy: -139.264 flat angles P-C4'-P energy: -93.556 tors. eta vs tors. theta energy: -70.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1056.178342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.178342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.178342 (E_RNA) where: Base-Base interactions energy: -549.324 where: short stacking energy: -286.493 Base-Backbone interact. energy: 6.666 local terms energy: -513.520703 where: bonds (distance) C4'-P energy: -162.797 bonds (distance) P-C4' energy: -134.351 flat angles C4'-P-C4' energy: -130.776 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -11.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -878.836037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.836037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.836037 (E_RNA) where: Base-Base interactions energy: -394.683 where: short stacking energy: -217.459 Base-Backbone interact. energy: 1.906 local terms energy: -486.058879 where: bonds (distance) C4'-P energy: -155.264 bonds (distance) P-C4' energy: -169.095 flat angles C4'-P-C4' energy: -128.875 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: 21.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3152.974404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.974404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.974404 (E_RNA) where: Base-Base interactions energy: -2162.945 where: short stacking energy: -932.246 Base-Backbone interact. energy: 0.639 local terms energy: -990.668580 where: bonds (distance) C4'-P energy: -182.875 bonds (distance) P-C4' energy: -170.849 flat angles C4'-P-C4' energy: -215.256 flat angles P-C4'-P energy: -131.498 tors. eta vs tors. theta energy: -290.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3005.384173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.384173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.384173 (E_RNA) where: Base-Base interactions energy: -2089.169 where: short stacking energy: -896.923 Base-Backbone interact. energy: -3.489 local terms energy: -912.726787 where: bonds (distance) C4'-P energy: -183.083 bonds (distance) P-C4' energy: -160.709 flat angles C4'-P-C4' energy: -199.175 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -254.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2898.224941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.224941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.224941 (E_RNA) where: Base-Base interactions energy: -1982.980 where: short stacking energy: -864.408 Base-Backbone interact. energy: -6.080 local terms energy: -909.165107 where: bonds (distance) C4'-P energy: -156.809 bonds (distance) P-C4' energy: -169.792 flat angles C4'-P-C4' energy: -210.715 flat angles P-C4'-P energy: -122.122 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: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2629.251155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.251155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.251155 (E_RNA) where: Base-Base interactions energy: -1786.858 where: short stacking energy: -775.252 Base-Backbone interact. energy: 3.535 local terms energy: -845.928689 where: bonds (distance) C4'-P energy: -156.322 bonds (distance) P-C4' energy: -162.443 flat angles C4'-P-C4' energy: -192.366 flat angles P-C4'-P energy: -117.291 tors. eta vs tors. theta energy: -217.506 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: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2320.776279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.776279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.776279 (E_RNA) where: Base-Base interactions energy: -1523.027 where: short stacking energy: -669.520 Base-Backbone interact. energy: -1.989 local terms energy: -795.760448 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -162.562 flat angles C4'-P-C4' energy: -182.535 flat angles P-C4'-P energy: -123.344 tors. eta vs tors. theta energy: -167.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2178.987749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.987749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.987749 (E_RNA) where: Base-Base interactions energy: -1430.970 where: short stacking energy: -610.198 Base-Backbone interact. energy: -3.267 local terms energy: -744.751112 where: bonds (distance) C4'-P energy: -149.402 bonds (distance) P-C4' energy: -163.431 flat angles C4'-P-C4' energy: -163.281 flat angles P-C4'-P energy: -117.097 tors. eta vs tors. theta energy: -151.540 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: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1748.696695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.696695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.696695 (E_RNA) where: Base-Base interactions energy: -1139.533 where: short stacking energy: -511.562 Base-Backbone interact. energy: 5.816 local terms energy: -614.979610 where: bonds (distance) C4'-P energy: -144.072 bonds (distance) P-C4' energy: -124.008 flat angles C4'-P-C4' energy: -169.672 flat angles P-C4'-P energy: -87.069 tors. eta vs tors. theta energy: -90.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1453.876293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.876293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.876293 (E_RNA) where: Base-Base interactions energy: -861.347 where: short stacking energy: -382.347 Base-Backbone interact. energy: -2.725 local terms energy: -589.804376 where: bonds (distance) C4'-P energy: -154.263 bonds (distance) P-C4' energy: -145.867 flat angles C4'-P-C4' energy: -139.878 flat angles P-C4'-P energy: -95.179 tors. eta vs tors. theta energy: -54.616 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: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1019.489533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.489533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.489533 (E_RNA) where: Base-Base interactions energy: -503.370 where: short stacking energy: -280.072 Base-Backbone interact. energy: 0.869 local terms energy: -516.988190 where: bonds (distance) C4'-P energy: -153.165 bonds (distance) P-C4' energy: -150.900 flat angles C4'-P-C4' energy: -133.055 flat angles P-C4'-P energy: -81.393 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: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -850.997439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.997439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.997439 (E_RNA) where: Base-Base interactions energy: -375.684 where: short stacking energy: -210.965 Base-Backbone interact. energy: 2.885 local terms energy: -478.198887 where: bonds (distance) C4'-P energy: -136.655 bonds (distance) P-C4' energy: -162.069 flat angles C4'-P-C4' energy: -154.550 flat angles P-C4'-P energy: -66.018 tors. eta vs tors. theta energy: 41.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3168.706130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.706130 (E_RNA) where: Base-Base interactions energy: -2177.445 where: short stacking energy: -968.614 Base-Backbone interact. energy: -1.100 local terms energy: -990.160953 where: bonds (distance) C4'-P energy: -175.759 bonds (distance) P-C4' energy: -173.061 flat angles C4'-P-C4' energy: -213.402 flat angles P-C4'-P energy: -135.903 tors. eta vs tors. theta energy: -292.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2995.393976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.393976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.393976 (E_RNA) where: Base-Base interactions energy: -2038.574 where: short stacking energy: -867.125 Base-Backbone interact. energy: -5.635 local terms energy: -951.185409 where: bonds (distance) C4'-P energy: -173.038 bonds (distance) P-C4' energy: -190.097 flat angles C4'-P-C4' energy: -192.384 flat angles P-C4'-P energy: -140.912 tors. eta vs tors. theta energy: -254.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2892.190227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.190227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.190227 (E_RNA) where: Base-Base interactions energy: -1993.108 where: short stacking energy: -882.079 Base-Backbone interact. energy: -0.532 local terms energy: -898.550572 where: bonds (distance) C4'-P energy: -146.613 bonds (distance) P-C4' energy: -177.425 flat angles C4'-P-C4' energy: -195.447 flat angles P-C4'-P energy: -132.317 tors. eta vs tors. theta energy: -246.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2652.400700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.400700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.400700 (E_RNA) where: Base-Base interactions energy: -1791.540 where: short stacking energy: -783.087 Base-Backbone interact. energy: -3.822 local terms energy: -857.038494 where: bonds (distance) C4'-P energy: -162.488 bonds (distance) P-C4' energy: -183.105 flat angles C4'-P-C4' energy: -177.622 flat angles P-C4'-P energy: -116.957 tors. eta vs tors. theta energy: -216.867 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: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2400.517168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.517168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.517168 (E_RNA) where: Base-Base interactions energy: -1613.876 where: short stacking energy: -704.636 Base-Backbone interact. energy: -3.430 local terms energy: -783.211045 where: bonds (distance) C4'-P energy: -149.014 bonds (distance) P-C4' energy: -172.353 flat angles C4'-P-C4' energy: -175.072 flat angles P-C4'-P energy: -100.396 tors. eta vs tors. theta energy: -186.376 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: 8 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2157.604774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.604774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.604774 (E_RNA) where: Base-Base interactions energy: -1379.054 where: short stacking energy: -626.290 Base-Backbone interact. energy: -1.403 local terms energy: -777.148205 where: bonds (distance) C4'-P energy: -177.172 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -161.733 flat angles P-C4'-P energy: -109.193 tors. eta vs tors. theta energy: -171.454 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1708.785416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.785416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.785416 (E_RNA) where: Base-Base interactions energy: -1051.270 where: short stacking energy: -494.639 Base-Backbone interact. energy: 2.317 local terms energy: -659.833141 where: bonds (distance) C4'-P energy: -148.117 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -154.831 flat angles P-C4'-P energy: -99.595 tors. eta vs tors. theta energy: -107.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1443.405497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.405497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.405497 (E_RNA) where: Base-Base interactions energy: -851.981 where: short stacking energy: -412.362 Base-Backbone interact. energy: 7.577 local terms energy: -599.001649 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -150.593 flat angles C4'-P-C4' energy: -148.770 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -79.407 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: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1082.382128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.382128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.382128 (E_RNA) where: Base-Base interactions energy: -547.278 where: short stacking energy: -295.189 Base-Backbone interact. energy: 1.192 local terms energy: -536.296599 where: bonds (distance) C4'-P energy: -148.348 bonds (distance) P-C4' energy: -158.252 flat angles C4'-P-C4' energy: -106.813 flat angles P-C4'-P energy: -92.709 tors. eta vs tors. theta energy: -30.175 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: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -903.891858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.891858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.891858 (E_RNA) where: Base-Base interactions energy: -430.559 where: short stacking energy: -237.880 Base-Backbone interact. energy: 0.017 local terms energy: -473.350588 where: bonds (distance) C4'-P energy: -158.648 bonds (distance) P-C4' energy: -148.206 flat angles C4'-P-C4' energy: -116.261 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3186.165244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.165244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.165244 (E_RNA) where: Base-Base interactions energy: -2172.794 where: short stacking energy: -959.110 Base-Backbone interact. energy: -4.388 local terms energy: -1008.983542 where: bonds (distance) C4'-P energy: -187.199 bonds (distance) P-C4' energy: -174.704 flat angles C4'-P-C4' energy: -218.907 flat angles P-C4'-P energy: -133.388 tors. eta vs tors. theta energy: -294.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3007.529362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.529362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.529362 (E_RNA) where: Base-Base interactions energy: -2054.652 where: short stacking energy: -892.005 Base-Backbone interact. energy: -4.721 local terms energy: -948.155559 where: bonds (distance) C4'-P energy: -184.353 bonds (distance) P-C4' energy: -185.801 flat angles C4'-P-C4' energy: -203.786 flat angles P-C4'-P energy: -116.075 tors. eta vs tors. theta energy: -258.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2875.622517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.622517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.622517 (E_RNA) where: Base-Base interactions energy: -1970.096 where: short stacking energy: -851.379 Base-Backbone interact. energy: -1.499 local terms energy: -904.027644 where: bonds (distance) C4'-P energy: -166.401 bonds (distance) P-C4' energy: -170.612 flat angles C4'-P-C4' energy: -186.063 flat angles P-C4'-P energy: -132.850 tors. eta vs tors. theta energy: -248.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2709.906530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.906530 (E_RNA) where: Base-Base interactions energy: -1839.659 where: short stacking energy: -797.853 Base-Backbone interact. energy: -1.869 local terms energy: -868.378429 where: bonds (distance) C4'-P energy: -149.382 bonds (distance) P-C4' energy: -170.391 flat angles C4'-P-C4' energy: -189.943 flat angles P-C4'-P energy: -128.308 tors. eta vs tors. theta energy: -230.354 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: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2450.974705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.974705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.974705 (E_RNA) where: Base-Base interactions energy: -1653.198 where: short stacking energy: -725.256 Base-Backbone interact. energy: -1.542 local terms energy: -796.234876 where: bonds (distance) C4'-P energy: -162.047 bonds (distance) P-C4' energy: -153.218 flat angles C4'-P-C4' energy: -186.517 flat angles P-C4'-P energy: -114.472 tors. eta vs tors. theta energy: -179.981 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: 6, replica: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2219.133317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.133317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.133317 (E_RNA) where: Base-Base interactions energy: -1443.911 where: short stacking energy: -650.282 Base-Backbone interact. energy: -4.841 local terms energy: -770.381545 where: bonds (distance) C4'-P energy: -128.508 bonds (distance) P-C4' energy: -168.303 flat angles C4'-P-C4' energy: -170.347 flat angles P-C4'-P energy: -134.702 tors. eta vs tors. theta energy: -168.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1669.799633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.799633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.799633 (E_RNA) where: Base-Base interactions energy: -1023.019 where: short stacking energy: -447.524 Base-Backbone interact. energy: 2.207 local terms energy: -648.986675 where: bonds (distance) C4'-P energy: -166.433 bonds (distance) P-C4' energy: -154.157 flat angles C4'-P-C4' energy: -154.702 flat angles P-C4'-P energy: -84.945 tors. eta vs tors. theta energy: -88.751 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: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1419.299476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.299476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.299476 (E_RNA) where: Base-Base interactions energy: -824.277 where: short stacking energy: -409.310 Base-Backbone interact. energy: -0.118 local terms energy: -594.904245 where: bonds (distance) C4'-P energy: -146.208 bonds (distance) P-C4' energy: -163.019 flat angles C4'-P-C4' energy: -138.790 flat angles P-C4'-P energy: -96.950 tors. eta vs tors. theta energy: -49.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1019.441939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.441939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.441939 (E_RNA) where: Base-Base interactions energy: -502.232 where: short stacking energy: -290.580 Base-Backbone interact. energy: -0.670 local terms energy: -516.540154 where: bonds (distance) C4'-P energy: -130.711 bonds (distance) P-C4' energy: -156.910 flat angles C4'-P-C4' energy: -134.118 flat angles P-C4'-P energy: -81.133 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -853.435806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.435806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.435806 (E_RNA) where: Base-Base interactions energy: -411.389 where: short stacking energy: -238.891 Base-Backbone interact. energy: 1.880 local terms energy: -443.926805 where: bonds (distance) C4'-P energy: -135.765 bonds (distance) P-C4' energy: -145.112 flat angles C4'-P-C4' energy: -117.005 flat angles P-C4'-P energy: -74.747 tors. eta vs tors. theta energy: 28.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3175.104834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.104834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.104834 (E_RNA) where: Base-Base interactions energy: -2165.822 where: short stacking energy: -914.822 Base-Backbone interact. energy: -2.954 local terms energy: -1006.328076 where: bonds (distance) C4'-P energy: -195.092 bonds (distance) P-C4' energy: -185.485 flat angles C4'-P-C4' energy: -218.336 flat angles P-C4'-P energy: -127.848 tors. eta vs tors. theta energy: -279.567 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: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2977.546311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.546311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.546311 (E_RNA) where: Base-Base interactions energy: -2048.875 where: short stacking energy: -878.926 Base-Backbone interact. energy: -1.042 local terms energy: -927.629067 where: bonds (distance) C4'-P energy: -169.760 bonds (distance) P-C4' energy: -164.219 flat angles C4'-P-C4' energy: -209.192 flat angles P-C4'-P energy: -140.371 tors. eta vs tors. theta energy: -244.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2896.329951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.329951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.329951 (E_RNA) where: Base-Base interactions energy: -1990.719 where: short stacking energy: -861.844 Base-Backbone interact. energy: -3.418 local terms energy: -902.192383 where: bonds (distance) C4'-P energy: -176.591 bonds (distance) P-C4' energy: -172.005 flat angles C4'-P-C4' energy: -191.242 flat angles P-C4'-P energy: -120.473 tors. eta vs tors. theta energy: -241.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2657.387117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.387117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.387117 (E_RNA) where: Base-Base interactions energy: -1808.722 where: short stacking energy: -781.532 Base-Backbone interact. energy: 2.327 local terms energy: -850.992223 where: bonds (distance) C4'-P energy: -147.059 bonds (distance) P-C4' energy: -165.323 flat angles C4'-P-C4' energy: -188.916 flat angles P-C4'-P energy: -118.241 tors. eta vs tors. theta energy: -231.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2345.345462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.345462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.345462 (E_RNA) where: Base-Base interactions energy: -1547.308 where: short stacking energy: -686.476 Base-Backbone interact. energy: -4.309 local terms energy: -793.728671 where: bonds (distance) C4'-P energy: -150.001 bonds (distance) P-C4' energy: -171.000 flat angles C4'-P-C4' energy: -185.616 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -188.064 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: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2197.606752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.606752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.606752 (E_RNA) where: Base-Base interactions energy: -1419.520 where: short stacking energy: -646.159 Base-Backbone interact. energy: -1.634 local terms energy: -776.452897 where: bonds (distance) C4'-P energy: -160.698 bonds (distance) P-C4' energy: -158.815 flat angles C4'-P-C4' energy: -178.451 flat angles P-C4'-P energy: -109.522 tors. eta vs tors. theta energy: -168.967 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: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1637.347415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.347415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.347415 (E_RNA) where: Base-Base interactions energy: -989.428 where: short stacking energy: -442.990 Base-Backbone interact. energy: 0.768 local terms energy: -648.687335 where: bonds (distance) C4'-P energy: -155.758 bonds (distance) P-C4' energy: -174.915 flat angles C4'-P-C4' energy: -158.184 flat angles P-C4'-P energy: -85.204 tors. eta vs tors. theta energy: -74.626 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: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1511.657552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.657552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.657552 (E_RNA) where: Base-Base interactions energy: -889.417 where: short stacking energy: -423.289 Base-Backbone interact. energy: -0.770 local terms energy: -621.469813 where: bonds (distance) C4'-P energy: -138.779 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -146.916 flat angles P-C4'-P energy: -108.315 tors. eta vs tors. theta energy: -72.674 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: 416 Temperature: 1.300000 Total energy: -1015.608670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.608670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.608670 (E_RNA) where: Base-Base interactions energy: -482.110 where: short stacking energy: -267.243 Base-Backbone interact. energy: 2.136 local terms energy: -535.634889 where: bonds (distance) C4'-P energy: -147.080 bonds (distance) P-C4' energy: -144.804 flat angles C4'-P-C4' energy: -165.845 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -3.055 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: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -951.215278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.215278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.215278 (E_RNA) where: Base-Base interactions energy: -435.262 where: short stacking energy: -234.714 Base-Backbone interact. energy: 1.145 local terms energy: -517.098535 where: bonds (distance) C4'-P energy: -154.641 bonds (distance) P-C4' energy: -155.579 flat angles C4'-P-C4' energy: -130.864 flat angles P-C4'-P energy: -75.969 tors. eta vs tors. theta energy: -0.046 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: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3162.918369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.918369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.918369 (E_RNA) where: Base-Base interactions energy: -2150.131 where: short stacking energy: -933.432 Base-Backbone interact. energy: 1.491 local terms energy: -1014.278245 where: bonds (distance) C4'-P energy: -183.506 bonds (distance) P-C4' energy: -187.164 flat angles C4'-P-C4' energy: -223.953 flat angles P-C4'-P energy: -136.070 tors. eta vs tors. theta energy: -283.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3005.692164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.692164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.692164 (E_RNA) where: Base-Base interactions energy: -2063.819 where: short stacking energy: -885.885 Base-Backbone interact. energy: -5.547 local terms energy: -936.325815 where: bonds (distance) C4'-P energy: -161.345 bonds (distance) P-C4' energy: -172.196 flat angles C4'-P-C4' energy: -202.709 flat angles P-C4'-P energy: -143.140 tors. eta vs tors. theta energy: -256.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2928.016238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.016238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.016238 (E_RNA) where: Base-Base interactions energy: -2013.968 where: short stacking energy: -830.096 Base-Backbone interact. energy: -4.287 local terms energy: -909.760450 where: bonds (distance) C4'-P energy: -180.496 bonds (distance) P-C4' energy: -172.966 flat angles C4'-P-C4' energy: -197.545 flat angles P-C4'-P energy: -121.342 tors. eta vs tors. theta energy: -237.411 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: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2625.850300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.850300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.850300 (E_RNA) where: Base-Base interactions energy: -1782.910 where: short stacking energy: -759.617 Base-Backbone interact. energy: -1.520 local terms energy: -841.420107 where: bonds (distance) C4'-P energy: -170.417 bonds (distance) P-C4' energy: -154.882 flat angles C4'-P-C4' energy: -180.728 flat angles P-C4'-P energy: -117.631 tors. eta vs tors. theta energy: -217.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2340.983399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.983399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.983399 (E_RNA) where: Base-Base interactions energy: -1552.331 where: short stacking energy: -663.971 Base-Backbone interact. energy: -2.131 local terms energy: -786.521822 where: bonds (distance) C4'-P energy: -159.210 bonds (distance) P-C4' energy: -168.552 flat angles C4'-P-C4' energy: -162.527 flat angles P-C4'-P energy: -119.107 tors. eta vs tors. theta energy: -177.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2261.375140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.375140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.375140 (E_RNA) where: Base-Base interactions energy: -1473.381 where: short stacking energy: -651.629 Base-Backbone interact. energy: 0.875 local terms energy: -788.868624 where: bonds (distance) C4'-P energy: -159.890 bonds (distance) P-C4' energy: -161.390 flat angles C4'-P-C4' energy: -172.173 flat angles P-C4'-P energy: -106.325 tors. eta vs tors. theta energy: -189.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1730.199064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.199064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.199064 (E_RNA) where: Base-Base interactions energy: -1056.328 where: short stacking energy: -476.965 Base-Backbone interact. energy: 0.348 local terms energy: -674.218803 where: bonds (distance) C4'-P energy: -152.996 bonds (distance) P-C4' energy: -155.980 flat angles C4'-P-C4' energy: -179.110 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -84.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1424.080646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.080646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.080646 (E_RNA) where: Base-Base interactions energy: -805.367 where: short stacking energy: -415.290 Base-Backbone interact. energy: -1.773 local terms energy: -616.940584 where: bonds (distance) C4'-P energy: -147.019 bonds (distance) P-C4' energy: -155.217 flat angles C4'-P-C4' energy: -154.572 flat angles P-C4'-P energy: -85.947 tors. eta vs tors. theta energy: -74.185 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: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -967.562162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.562162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.562162 (E_RNA) where: Base-Base interactions energy: -458.351 where: short stacking energy: -274.668 Base-Backbone interact. energy: -4.690 local terms energy: -504.520740 where: bonds (distance) C4'-P energy: -133.282 bonds (distance) P-C4' energy: -143.280 flat angles C4'-P-C4' energy: -120.331 flat angles P-C4'-P energy: -90.016 tors. eta vs tors. theta energy: -17.611 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: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -830.783756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.783756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.783756 (E_RNA) where: Base-Base interactions energy: -398.523 where: short stacking energy: -219.375 Base-Backbone interact. energy: -4.069 local terms energy: -428.192034 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -152.974 flat angles C4'-P-C4' energy: -105.885 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: 37.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3161.228117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.228117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.228117 (E_RNA) where: Base-Base interactions energy: -2161.104 where: short stacking energy: -953.317 Base-Backbone interact. energy: -6.372 local terms energy: -993.751776 where: bonds (distance) C4'-P energy: -180.055 bonds (distance) P-C4' energy: -175.277 flat angles C4'-P-C4' energy: -209.965 flat angles P-C4'-P energy: -138.883 tors. eta vs tors. theta energy: -289.572 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: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3037.042893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.042893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.042893 (E_RNA) where: Base-Base interactions energy: -2075.996 where: short stacking energy: -893.751 Base-Backbone interact. energy: -2.801 local terms energy: -958.245452 where: bonds (distance) C4'-P energy: -172.838 bonds (distance) P-C4' energy: -189.562 flat angles C4'-P-C4' energy: -204.282 flat angles P-C4'-P energy: -131.864 tors. eta vs tors. theta energy: -259.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2928.858381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.858381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.858381 (E_RNA) where: Base-Base interactions energy: -1979.791 where: short stacking energy: -833.830 Base-Backbone interact. energy: -6.322 local terms energy: -942.745192 where: bonds (distance) C4'-P energy: -169.740 bonds (distance) P-C4' energy: -192.347 flat angles C4'-P-C4' energy: -197.877 flat angles P-C4'-P energy: -136.719 tors. eta vs tors. theta energy: -246.064 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: 418 Temperature: 1.050000 Total energy: -2651.260927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.260927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.260927 (E_RNA) where: Base-Base interactions energy: -1794.518 where: short stacking energy: -777.854 Base-Backbone interact. energy: -2.024 local terms energy: -854.719467 where: bonds (distance) C4'-P energy: -163.231 bonds (distance) P-C4' energy: -163.713 flat angles C4'-P-C4' energy: -172.979 flat angles P-C4'-P energy: -122.234 tors. eta vs tors. theta energy: -232.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2352.631609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.631609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.631609 (E_RNA) where: Base-Base interactions energy: -1550.295 where: short stacking energy: -721.208 Base-Backbone interact. energy: -2.608 local terms energy: -799.728407 where: bonds (distance) C4'-P energy: -138.405 bonds (distance) P-C4' energy: -171.130 flat angles C4'-P-C4' energy: -178.661 flat angles P-C4'-P energy: -113.355 tors. eta vs tors. theta energy: -198.177 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: 418 Temperature: 1.150000 Total energy: -2152.326936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.326936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.326936 (E_RNA) where: Base-Base interactions energy: -1394.679 where: short stacking energy: -628.775 Base-Backbone interact. energy: -1.581 local terms energy: -756.066528 where: bonds (distance) C4'-P energy: -160.239 bonds (distance) P-C4' energy: -162.338 flat angles C4'-P-C4' energy: -168.932 flat angles P-C4'-P energy: -102.007 tors. eta vs tors. theta energy: -162.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1775.939164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.939164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.939164 (E_RNA) where: Base-Base interactions energy: -1089.839 where: short stacking energy: -483.029 Base-Backbone interact. energy: 5.427 local terms energy: -691.527863 where: bonds (distance) C4'-P energy: -146.345 bonds (distance) P-C4' energy: -185.605 flat angles C4'-P-C4' energy: -155.928 flat angles P-C4'-P energy: -89.009 tors. eta vs tors. theta energy: -114.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1560.078490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.078490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.078490 (E_RNA) where: Base-Base interactions energy: -934.378 where: short stacking energy: -433.572 Base-Backbone interact. energy: 1.314 local terms energy: -627.014235 where: bonds (distance) C4'-P energy: -163.168 bonds (distance) P-C4' energy: -169.445 flat angles C4'-P-C4' energy: -128.512 flat angles P-C4'-P energy: -99.830 tors. eta vs tors. theta energy: -66.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -975.713954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.713954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.713954 (E_RNA) where: Base-Base interactions energy: -472.325 where: short stacking energy: -276.339 Base-Backbone interact. energy: 1.948 local terms energy: -505.337405 where: bonds (distance) C4'-P energy: -140.199 bonds (distance) P-C4' energy: -149.429 flat angles C4'-P-C4' energy: -143.954 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -765.238122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.238122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.238122 (E_RNA) where: Base-Base interactions energy: -288.389 where: short stacking energy: -210.038 Base-Backbone interact. energy: 2.067 local terms energy: -478.916133 where: bonds (distance) C4'-P energy: -157.660 bonds (distance) P-C4' energy: -162.090 flat angles C4'-P-C4' energy: -121.269 flat angles P-C4'-P energy: -70.958 tors. eta vs tors. theta energy: 33.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3174.670572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.670572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.670572 (E_RNA) where: Base-Base interactions energy: -2177.698 where: short stacking energy: -940.716 Base-Backbone interact. energy: -1.987 local terms energy: -994.985589 where: bonds (distance) C4'-P energy: -187.857 bonds (distance) P-C4' energy: -184.385 flat angles C4'-P-C4' energy: -206.453 flat angles P-C4'-P energy: -134.966 tors. eta vs tors. theta energy: -281.324 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: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3033.475815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.475815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.475815 (E_RNA) where: Base-Base interactions energy: -2090.845 where: short stacking energy: -908.040 Base-Backbone interact. energy: -3.139 local terms energy: -939.492374 where: bonds (distance) C4'-P energy: -177.728 bonds (distance) P-C4' energy: -172.573 flat angles C4'-P-C4' energy: -208.566 flat angles P-C4'-P energy: -125.621 tors. eta vs tors. theta energy: -255.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2966.790403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.790403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.790403 (E_RNA) where: Base-Base interactions energy: -2034.602 where: short stacking energy: -878.907 Base-Backbone interact. energy: -2.200 local terms energy: -929.988174 where: bonds (distance) C4'-P energy: -162.192 bonds (distance) P-C4' energy: -176.977 flat angles C4'-P-C4' energy: -191.528 flat angles P-C4'-P energy: -133.985 tors. eta vs tors. theta energy: -265.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2669.844499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.844499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.844499 (E_RNA) where: Base-Base interactions energy: -1774.342 where: short stacking energy: -781.990 Base-Backbone interact. energy: -2.331 local terms energy: -893.171083 where: bonds (distance) C4'-P energy: -162.613 bonds (distance) P-C4' energy: -184.335 flat angles C4'-P-C4' energy: -184.717 flat angles P-C4'-P energy: -123.321 tors. eta vs tors. theta energy: -238.185 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: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2343.472112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.472112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.472112 (E_RNA) where: Base-Base interactions energy: -1525.137 where: short stacking energy: -684.707 Base-Backbone interact. energy: -5.471 local terms energy: -812.864402 where: bonds (distance) C4'-P energy: -147.729 bonds (distance) P-C4' energy: -179.101 flat angles C4'-P-C4' energy: -183.509 flat angles P-C4'-P energy: -101.867 tors. eta vs tors. theta energy: -200.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2203.042169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.042169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.042169 (E_RNA) where: Base-Base interactions energy: -1448.870 where: short stacking energy: -642.947 Base-Backbone interact. energy: -3.164 local terms energy: -751.008187 where: bonds (distance) C4'-P energy: -138.759 bonds (distance) P-C4' energy: -170.878 flat angles C4'-P-C4' energy: -178.616 flat angles P-C4'-P energy: -103.476 tors. eta vs tors. theta energy: -159.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1803.354446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.354446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.354446 (E_RNA) where: Base-Base interactions energy: -1167.447 where: short stacking energy: -512.351 Base-Backbone interact. energy: 3.726 local terms energy: -639.632888 where: bonds (distance) C4'-P energy: -149.174 bonds (distance) P-C4' energy: -149.194 flat angles C4'-P-C4' energy: -132.909 flat angles P-C4'-P energy: -100.509 tors. eta vs tors. theta energy: -107.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1505.981245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.981245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.981245 (E_RNA) where: Base-Base interactions energy: -918.119 where: short stacking energy: -448.677 Base-Backbone interact. energy: 2.034 local terms energy: -589.896648 where: bonds (distance) C4'-P energy: -138.856 bonds (distance) P-C4' energy: -145.431 flat angles C4'-P-C4' energy: -136.036 flat angles P-C4'-P energy: -103.040 tors. eta vs tors. theta energy: -66.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -993.526087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.526087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.526087 (E_RNA) where: Base-Base interactions energy: -507.971 where: short stacking energy: -276.503 Base-Backbone interact. energy: 12.403 local terms energy: -497.958612 where: bonds (distance) C4'-P energy: -133.892 bonds (distance) P-C4' energy: -152.118 flat angles C4'-P-C4' energy: -119.638 flat angles P-C4'-P energy: -88.624 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -758.017845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.017845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.017845 (E_RNA) where: Base-Base interactions energy: -307.849 where: short stacking energy: -203.981 Base-Backbone interact. energy: 0.539 local terms energy: -450.708238 where: bonds (distance) C4'-P energy: -135.062 bonds (distance) P-C4' energy: -151.514 flat angles C4'-P-C4' energy: -124.270 flat angles P-C4'-P energy: -67.633 tors. eta vs tors. theta energy: 27.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3187.914567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.914567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.914567 (E_RNA) where: Base-Base interactions energy: -2186.686 where: short stacking energy: -930.250 Base-Backbone interact. energy: -6.168 local terms energy: -995.060067 where: bonds (distance) C4'-P energy: -182.094 bonds (distance) P-C4' energy: -192.566 flat angles C4'-P-C4' energy: -206.290 flat angles P-C4'-P energy: -140.721 tors. eta vs tors. theta energy: -273.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3024.004841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.004841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.004841 (E_RNA) where: Base-Base interactions energy: -2071.572 where: short stacking energy: -903.243 Base-Backbone interact. energy: -6.049 local terms energy: -946.384444 where: bonds (distance) C4'-P energy: -182.100 bonds (distance) P-C4' energy: -179.924 flat angles C4'-P-C4' energy: -192.902 flat angles P-C4'-P energy: -136.160 tors. eta vs tors. theta energy: -255.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -3025.116901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.116901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.116901 (E_RNA) where: Base-Base interactions energy: -2062.664 where: short stacking energy: -877.640 Base-Backbone interact. energy: -3.308 local terms energy: -959.145157 where: bonds (distance) C4'-P energy: -182.923 bonds (distance) P-C4' energy: -180.942 flat angles C4'-P-C4' energy: -204.184 flat angles P-C4'-P energy: -126.800 tors. eta vs tors. theta energy: -264.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2651.073588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.073588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.073588 (E_RNA) where: Base-Base interactions energy: -1757.211 where: short stacking energy: -766.576 Base-Backbone interact. energy: -4.473 local terms energy: -889.389590 where: bonds (distance) C4'-P energy: -188.086 bonds (distance) P-C4' energy: -163.559 flat angles C4'-P-C4' energy: -182.417 flat angles P-C4'-P energy: -130.526 tors. eta vs tors. theta energy: -224.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2344.975909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.975909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.975909 (E_RNA) where: Base-Base interactions energy: -1531.529 where: short stacking energy: -706.743 Base-Backbone interact. energy: 6.407 local terms energy: -819.854405 where: bonds (distance) C4'-P energy: -177.106 bonds (distance) P-C4' energy: -163.187 flat angles C4'-P-C4' energy: -182.893 flat angles P-C4'-P energy: -113.046 tors. eta vs tors. theta energy: -183.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2196.070917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.070917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.070917 (E_RNA) where: Base-Base interactions energy: -1446.225 where: short stacking energy: -638.490 Base-Backbone interact. energy: 3.852 local terms energy: -753.697619 where: bonds (distance) C4'-P energy: -162.835 bonds (distance) P-C4' energy: -160.166 flat angles C4'-P-C4' energy: -165.145 flat angles P-C4'-P energy: -102.469 tors. eta vs tors. theta energy: -163.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1810.249995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.249995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.249995 (E_RNA) where: Base-Base interactions energy: -1166.470 where: short stacking energy: -511.433 Base-Backbone interact. energy: 10.755 local terms energy: -654.535263 where: bonds (distance) C4'-P energy: -146.713 bonds (distance) P-C4' energy: -149.019 flat angles C4'-P-C4' energy: -156.241 flat angles P-C4'-P energy: -100.373 tors. eta vs tors. theta energy: -102.189 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: 420 Temperature: 1.250000 Total energy: -1559.931019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.931019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.931019 (E_RNA) where: Base-Base interactions energy: -926.646 where: short stacking energy: -431.452 Base-Backbone interact. energy: -1.505 local terms energy: -631.779739 where: bonds (distance) C4'-P energy: -146.232 bonds (distance) P-C4' energy: -165.747 flat angles C4'-P-C4' energy: -145.024 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: -91.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -996.290057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.290057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.290057 (E_RNA) where: Base-Base interactions energy: -520.769 where: short stacking energy: -282.926 Base-Backbone interact. energy: -0.632 local terms energy: -474.889175 where: bonds (distance) C4'-P energy: -134.114 bonds (distance) P-C4' energy: -134.292 flat angles C4'-P-C4' energy: -142.614 flat angles P-C4'-P energy: -56.650 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -823.143325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.143325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.143325 (E_RNA) where: Base-Base interactions energy: -352.822 where: short stacking energy: -202.054 Base-Backbone interact. energy: -2.112 local terms energy: -468.209596 where: bonds (distance) C4'-P energy: -139.894 bonds (distance) P-C4' energy: -140.068 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: 34.796 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: 1, replica: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3171.114654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.114654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.114654 (E_RNA) where: Base-Base interactions energy: -2190.045 where: short stacking energy: -916.319 Base-Backbone interact. energy: -4.609 local terms energy: -976.459876 where: bonds (distance) C4'-P energy: -177.001 bonds (distance) P-C4' energy: -173.792 flat angles C4'-P-C4' energy: -203.643 flat angles P-C4'-P energy: -148.706 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: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3020.064476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.064476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.064476 (E_RNA) where: Base-Base interactions energy: -2067.249 where: short stacking energy: -867.548 Base-Backbone interact. energy: -2.042 local terms energy: -950.773938 where: bonds (distance) C4'-P energy: -173.458 bonds (distance) P-C4' energy: -188.011 flat angles C4'-P-C4' energy: -191.126 flat angles P-C4'-P energy: -129.056 tors. eta vs tors. theta energy: -269.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2964.769946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.769946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.769946 (E_RNA) where: Base-Base interactions energy: -2044.468 where: short stacking energy: -888.333 Base-Backbone interact. energy: -3.274 local terms energy: -917.028823 where: bonds (distance) C4'-P energy: -151.890 bonds (distance) P-C4' energy: -172.949 flat angles C4'-P-C4' energy: -204.970 flat angles P-C4'-P energy: -128.212 tors. eta vs tors. theta energy: -259.008 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: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2641.486782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.486782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.486782 (E_RNA) where: Base-Base interactions energy: -1816.849 where: short stacking energy: -769.904 Base-Backbone interact. energy: -2.586 local terms energy: -822.051962 where: bonds (distance) C4'-P energy: -160.803 bonds (distance) P-C4' energy: -156.534 flat angles C4'-P-C4' energy: -167.461 flat angles P-C4'-P energy: -113.110 tors. eta vs tors. theta energy: -224.145 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: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2344.264814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.264814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.264814 (E_RNA) where: Base-Base interactions energy: -1541.424 where: short stacking energy: -685.051 Base-Backbone interact. energy: -1.525 local terms energy: -801.316178 where: bonds (distance) C4'-P energy: -153.771 bonds (distance) P-C4' energy: -160.449 flat angles C4'-P-C4' energy: -196.867 flat angles P-C4'-P energy: -110.301 tors. eta vs tors. theta energy: -179.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2243.775137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.775137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.775137 (E_RNA) where: Base-Base interactions energy: -1489.503 where: short stacking energy: -662.305 Base-Backbone interact. energy: -5.086 local terms energy: -749.186149 where: bonds (distance) C4'-P energy: -134.694 bonds (distance) P-C4' energy: -144.132 flat angles C4'-P-C4' energy: -178.463 flat angles P-C4'-P energy: -114.944 tors. eta vs tors. theta energy: -176.953 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: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1908.483296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.483296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.483296 (E_RNA) where: Base-Base interactions energy: -1233.088 where: short stacking energy: -548.781 Base-Backbone interact. energy: -0.916 local terms energy: -674.478623 where: bonds (distance) C4'-P energy: -149.355 bonds (distance) P-C4' energy: -158.561 flat angles C4'-P-C4' energy: -147.036 flat angles P-C4'-P energy: -98.121 tors. eta vs tors. theta energy: -121.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1576.072406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.072406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.072406 (E_RNA) where: Base-Base interactions energy: -959.012 where: short stacking energy: -428.397 Base-Backbone interact. energy: -0.932 local terms energy: -616.127645 where: bonds (distance) C4'-P energy: -149.379 bonds (distance) P-C4' energy: -156.055 flat angles C4'-P-C4' energy: -141.639 flat angles P-C4'-P energy: -92.458 tors. eta vs tors. theta energy: -76.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1018.968616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.968616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.968616 (E_RNA) where: Base-Base interactions energy: -544.139 where: short stacking energy: -308.588 Base-Backbone interact. energy: 14.282 local terms energy: -489.112286 where: bonds (distance) C4'-P energy: -156.361 bonds (distance) P-C4' energy: -169.058 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -57.128 tors. eta vs tors. theta energy: -0.062 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: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -789.954963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.954963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.954963 (E_RNA) where: Base-Base interactions energy: -354.502 where: short stacking energy: -220.500 Base-Backbone interact. energy: 1.592 local terms energy: -437.045433 where: bonds (distance) C4'-P energy: -108.195 bonds (distance) P-C4' energy: -160.016 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: 24.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3145.595306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.595306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.595306 (E_RNA) where: Base-Base interactions energy: -2173.935 where: short stacking energy: -906.565 Base-Backbone interact. energy: -2.801 local terms energy: -968.859708 where: bonds (distance) C4'-P energy: -168.298 bonds (distance) P-C4' energy: -183.335 flat angles C4'-P-C4' energy: -212.854 flat angles P-C4'-P energy: -124.551 tors. eta vs tors. theta energy: -279.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3029.234915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.234915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.234915 (E_RNA) where: Base-Base interactions energy: -2090.186 where: short stacking energy: -881.374 Base-Backbone interact. energy: -1.450 local terms energy: -937.598983 where: bonds (distance) C4'-P energy: -154.726 bonds (distance) P-C4' energy: -180.739 flat angles C4'-P-C4' energy: -207.214 flat angles P-C4'-P energy: -131.280 tors. eta vs tors. theta energy: -263.640 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: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2957.291307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.291307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.291307 (E_RNA) where: Base-Base interactions energy: -2029.816 where: short stacking energy: -862.148 Base-Backbone interact. energy: -6.001 local terms energy: -921.473423 where: bonds (distance) C4'-P energy: -153.250 bonds (distance) P-C4' energy: -167.312 flat angles C4'-P-C4' energy: -200.243 flat angles P-C4'-P energy: -138.517 tors. eta vs tors. theta energy: -262.152 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: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2652.237875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.237875 (E_RNA) where: Base-Base interactions energy: -1794.714 where: short stacking energy: -789.142 Base-Backbone interact. energy: -2.924 local terms energy: -854.600328 where: bonds (distance) C4'-P energy: -164.788 bonds (distance) P-C4' energy: -152.994 flat angles C4'-P-C4' energy: -178.971 flat angles P-C4'-P energy: -126.044 tors. eta vs tors. theta energy: -231.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2367.555126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.555126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.555126 (E_RNA) where: Base-Base interactions energy: -1562.399 where: short stacking energy: -727.865 Base-Backbone interact. energy: -2.277 local terms energy: -802.879107 where: bonds (distance) C4'-P energy: -171.651 bonds (distance) P-C4' energy: -145.279 flat angles C4'-P-C4' energy: -186.415 flat angles P-C4'-P energy: -115.392 tors. eta vs tors. theta energy: -184.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2321.722847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.722847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.722847 (E_RNA) where: Base-Base interactions energy: -1526.723 where: short stacking energy: -692.028 Base-Backbone interact. energy: -1.302 local terms energy: -793.697773 where: bonds (distance) C4'-P energy: -158.607 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -177.791 flat angles P-C4'-P energy: -117.070 tors. eta vs tors. theta energy: -198.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1864.992892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.992892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.992892 (E_RNA) where: Base-Base interactions energy: -1154.795 where: short stacking energy: -496.422 Base-Backbone interact. energy: 6.730 local terms energy: -716.927905 where: bonds (distance) C4'-P energy: -148.877 bonds (distance) P-C4' energy: -174.841 flat angles C4'-P-C4' energy: -153.277 flat angles P-C4'-P energy: -111.109 tors. eta vs tors. theta energy: -128.823 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: 422 Temperature: 1.250000 Total energy: -1540.033952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.033952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.033952 (E_RNA) where: Base-Base interactions energy: -927.534 where: short stacking energy: -414.561 Base-Backbone interact. energy: 1.864 local terms energy: -614.364135 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -153.856 flat angles C4'-P-C4' energy: -145.271 flat angles P-C4'-P energy: -94.248 tors. eta vs tors. theta energy: -70.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1027.684732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.684732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.684732 (E_RNA) where: Base-Base interactions energy: -525.528 where: short stacking energy: -308.564 Base-Backbone interact. energy: -2.892 local terms energy: -499.264172 where: bonds (distance) C4'-P energy: -132.007 bonds (distance) P-C4' energy: -154.717 flat angles C4'-P-C4' energy: -135.446 flat angles P-C4'-P energy: -50.647 tors. eta vs tors. theta energy: -26.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -804.811314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.811314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.811314 (E_RNA) where: Base-Base interactions energy: -340.894 where: short stacking energy: -218.850 Base-Backbone interact. energy: -2.217 local terms energy: -461.700977 where: bonds (distance) C4'-P energy: -142.037 bonds (distance) P-C4' energy: -152.087 flat angles C4'-P-C4' energy: -115.662 flat angles P-C4'-P energy: -58.825 tors. eta vs tors. theta energy: 6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3152.052542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.052542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.052542 (E_RNA) where: Base-Base interactions energy: -2196.049 where: short stacking energy: -941.486 Base-Backbone interact. energy: -4.244 local terms energy: -951.759519 where: bonds (distance) C4'-P energy: -169.873 bonds (distance) P-C4' energy: -152.741 flat angles C4'-P-C4' energy: -213.776 flat angles P-C4'-P energy: -140.995 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: 423 Temperature: 0.950000 Total energy: -3054.789780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.789780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.789780 (E_RNA) where: Base-Base interactions energy: -2061.042 where: short stacking energy: -887.807 Base-Backbone interact. energy: -2.751 local terms energy: -990.997079 where: bonds (distance) C4'-P energy: -178.171 bonds (distance) P-C4' energy: -189.131 flat angles C4'-P-C4' energy: -207.584 flat angles P-C4'-P energy: -148.744 tors. eta vs tors. theta energy: -267.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2966.212187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.212187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.212187 (E_RNA) where: Base-Base interactions energy: -2044.536 where: short stacking energy: -896.818 Base-Backbone interact. energy: -4.571 local terms energy: -917.105897 where: bonds (distance) C4'-P energy: -172.978 bonds (distance) P-C4' energy: -163.740 flat angles C4'-P-C4' energy: -186.497 flat angles P-C4'-P energy: -130.820 tors. eta vs tors. theta energy: -263.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2662.668973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.668973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.668973 (E_RNA) where: Base-Base interactions energy: -1785.517 where: short stacking energy: -766.928 Base-Backbone interact. energy: -1.152 local terms energy: -876.000199 where: bonds (distance) C4'-P energy: -164.240 bonds (distance) P-C4' energy: -188.112 flat angles C4'-P-C4' energy: -188.597 flat angles P-C4'-P energy: -109.304 tors. eta vs tors. theta energy: -225.748 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: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2332.298138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.298138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.298138 (E_RNA) where: Base-Base interactions energy: -1550.038 where: short stacking energy: -718.858 Base-Backbone interact. energy: 0.238 local terms energy: -782.497928 where: bonds (distance) C4'-P energy: -142.102 bonds (distance) P-C4' energy: -158.414 flat angles C4'-P-C4' energy: -175.160 flat angles P-C4'-P energy: -110.094 tors. eta vs tors. theta energy: -196.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2296.578714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.578714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.578714 (E_RNA) where: Base-Base interactions energy: -1537.192 where: short stacking energy: -678.824 Base-Backbone interact. energy: 0.080 local terms energy: -759.466783 where: bonds (distance) C4'-P energy: -168.742 bonds (distance) P-C4' energy: -130.377 flat angles C4'-P-C4' energy: -160.838 flat angles P-C4'-P energy: -105.827 tors. eta vs tors. theta energy: -193.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1947.382569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.382569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.382569 (E_RNA) where: Base-Base interactions energy: -1245.599 where: short stacking energy: -577.091 Base-Backbone interact. energy: 1.934 local terms energy: -703.718224 where: bonds (distance) C4'-P energy: -155.280 bonds (distance) P-C4' energy: -156.211 flat angles C4'-P-C4' energy: -165.941 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -132.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1504.895716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.895716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.895716 (E_RNA) where: Base-Base interactions energy: -927.859 where: short stacking energy: -462.209 Base-Backbone interact. energy: -4.817 local terms energy: -572.219180 where: bonds (distance) C4'-P energy: -133.065 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -150.718 flat angles P-C4'-P energy: -88.725 tors. eta vs tors. theta energy: -73.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1132.650182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.650182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.650182 (E_RNA) where: Base-Base interactions energy: -605.197 where: short stacking energy: -351.988 Base-Backbone interact. energy: -2.147 local terms energy: -525.306810 where: bonds (distance) C4'-P energy: -126.706 bonds (distance) P-C4' energy: -168.895 flat angles C4'-P-C4' energy: -134.906 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -22.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -820.455799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.455799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.455799 (E_RNA) where: Base-Base interactions energy: -372.163 where: short stacking energy: -219.134 Base-Backbone interact. energy: 2.384 local terms energy: -450.676969 where: bonds (distance) C4'-P energy: -126.928 bonds (distance) P-C4' energy: -173.392 flat angles C4'-P-C4' energy: -125.513 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: 37.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3127.519369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.519369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.519369 (E_RNA) where: Base-Base interactions energy: -2172.725 where: short stacking energy: -919.066 Base-Backbone interact. energy: -2.852 local terms energy: -951.943080 where: bonds (distance) C4'-P energy: -176.795 bonds (distance) P-C4' energy: -177.699 flat angles C4'-P-C4' energy: -203.368 flat angles P-C4'-P energy: -120.140 tors. eta vs tors. theta energy: -273.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3079.352448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.352448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.352448 (E_RNA) where: Base-Base interactions energy: -2107.674 where: short stacking energy: -918.596 Base-Backbone interact. energy: -3.695 local terms energy: -967.983577 where: bonds (distance) C4'-P energy: -183.035 bonds (distance) P-C4' energy: -185.730 flat angles C4'-P-C4' energy: -198.887 flat angles P-C4'-P energy: -124.193 tors. eta vs tors. theta energy: -276.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2959.358268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.358268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.358268 (E_RNA) where: Base-Base interactions energy: -2032.915 where: short stacking energy: -922.190 Base-Backbone interact. energy: -2.723 local terms energy: -923.720147 where: bonds (distance) C4'-P energy: -155.513 bonds (distance) P-C4' energy: -174.474 flat angles C4'-P-C4' energy: -202.690 flat angles P-C4'-P energy: -136.157 tors. eta vs tors. theta energy: -254.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2629.160467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.160467 (E_RNA) where: Base-Base interactions energy: -1795.788 where: short stacking energy: -781.744 Base-Backbone interact. energy: -0.482 local terms energy: -832.890797 where: bonds (distance) C4'-P energy: -154.513 bonds (distance) P-C4' energy: -151.834 flat angles C4'-P-C4' energy: -178.913 flat angles P-C4'-P energy: -126.230 tors. eta vs tors. theta energy: -221.400 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: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2276.404224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.404224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.404224 (E_RNA) where: Base-Base interactions energy: -1495.616 where: short stacking energy: -676.845 Base-Backbone interact. energy: 0.671 local terms energy: -781.459135 where: bonds (distance) C4'-P energy: -164.704 bonds (distance) P-C4' energy: -168.851 flat angles C4'-P-C4' energy: -173.782 flat angles P-C4'-P energy: -110.755 tors. eta vs tors. theta energy: -163.367 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: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2231.984926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.984926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.984926 (E_RNA) where: Base-Base interactions energy: -1440.929 where: short stacking energy: -595.420 Base-Backbone interact. energy: -0.229 local terms energy: -790.827348 where: bonds (distance) C4'-P energy: -167.190 bonds (distance) P-C4' energy: -183.225 flat angles C4'-P-C4' energy: -169.908 flat angles P-C4'-P energy: -95.938 tors. eta vs tors. theta energy: -174.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1908.262714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.262714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.262714 (E_RNA) where: Base-Base interactions energy: -1239.221 where: short stacking energy: -552.732 Base-Backbone interact. energy: 3.588 local terms energy: -672.629579 where: bonds (distance) C4'-P energy: -139.314 bonds (distance) P-C4' energy: -165.775 flat angles C4'-P-C4' energy: -153.932 flat angles P-C4'-P energy: -94.951 tors. eta vs tors. theta energy: -118.657 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: 424 Temperature: 1.250000 Total energy: -1583.638420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.638420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.638420 (E_RNA) where: Base-Base interactions energy: -937.527 where: short stacking energy: -390.940 Base-Backbone interact. energy: -2.512 local terms energy: -643.599541 where: bonds (distance) C4'-P energy: -152.519 bonds (distance) P-C4' energy: -168.469 flat angles C4'-P-C4' energy: -156.030 flat angles P-C4'-P energy: -87.134 tors. eta vs tors. theta energy: -79.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1134.756378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.756378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.756378 (E_RNA) where: Base-Base interactions energy: -636.863 where: short stacking energy: -313.104 Base-Backbone interact. energy: 0.099 local terms energy: -497.992981 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -153.894 flat angles C4'-P-C4' energy: -131.135 flat angles P-C4'-P energy: -64.906 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -927.761690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.761690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.761690 (E_RNA) where: Base-Base interactions energy: -452.666 where: short stacking energy: -260.568 Base-Backbone interact. energy: 3.051 local terms energy: -478.147332 where: bonds (distance) C4'-P energy: -140.448 bonds (distance) P-C4' energy: -138.618 flat angles C4'-P-C4' energy: -126.448 flat angles P-C4'-P energy: -79.451 tors. eta vs tors. theta energy: 6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3152.228438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.228438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.228438 (E_RNA) where: Base-Base interactions energy: -2216.567 where: short stacking energy: -926.607 Base-Backbone interact. energy: -1.635 local terms energy: -934.026743 where: bonds (distance) C4'-P energy: -168.311 bonds (distance) P-C4' energy: -172.017 flat angles C4'-P-C4' energy: -197.627 flat angles P-C4'-P energy: -121.701 tors. eta vs tors. theta energy: -274.370 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3071.300020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.300020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.300020 (E_RNA) where: Base-Base interactions energy: -2111.099 where: short stacking energy: -899.204 Base-Backbone interact. energy: -2.502 local terms energy: -957.698934 where: bonds (distance) C4'-P energy: -173.824 bonds (distance) P-C4' energy: -199.647 flat angles C4'-P-C4' energy: -195.569 flat angles P-C4'-P energy: -113.012 tors. eta vs tors. theta energy: -275.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2979.757017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.757017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.757017 (E_RNA) where: Base-Base interactions energy: -2039.522 where: short stacking energy: -899.805 Base-Backbone interact. energy: -3.122 local terms energy: -937.112578 where: bonds (distance) C4'-P energy: -154.883 bonds (distance) P-C4' energy: -171.066 flat angles C4'-P-C4' energy: -199.433 flat angles P-C4'-P energy: -142.186 tors. eta vs tors. theta energy: -269.544 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: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2667.885159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.885159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.885159 (E_RNA) where: Base-Base interactions energy: -1789.783 where: short stacking energy: -779.520 Base-Backbone interact. energy: -3.358 local terms energy: -874.743787 where: bonds (distance) C4'-P energy: -167.077 bonds (distance) P-C4' energy: -158.512 flat angles C4'-P-C4' energy: -199.587 flat angles P-C4'-P energy: -118.546 tors. eta vs tors. theta energy: -231.022 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: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2285.693585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.693585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.693585 (E_RNA) where: Base-Base interactions energy: -1515.358 where: short stacking energy: -673.536 Base-Backbone interact. energy: -1.827 local terms energy: -768.508662 where: bonds (distance) C4'-P energy: -166.732 bonds (distance) P-C4' energy: -148.240 flat angles C4'-P-C4' energy: -179.069 flat angles P-C4'-P energy: -104.236 tors. eta vs tors. theta energy: -170.231 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: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2227.183915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.183915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.183915 (E_RNA) where: Base-Base interactions energy: -1447.652 where: short stacking energy: -662.222 Base-Backbone interact. energy: 0.501 local terms energy: -780.032690 where: bonds (distance) C4'-P energy: -162.997 bonds (distance) P-C4' energy: -157.320 flat angles C4'-P-C4' energy: -174.223 flat angles P-C4'-P energy: -115.047 tors. eta vs tors. theta energy: -170.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1814.446133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.446133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.446133 (E_RNA) where: Base-Base interactions energy: -1146.120 where: short stacking energy: -486.185 Base-Backbone interact. energy: -0.918 local terms energy: -667.407660 where: bonds (distance) C4'-P energy: -160.765 bonds (distance) P-C4' energy: -163.003 flat angles C4'-P-C4' energy: -154.387 flat angles P-C4'-P energy: -104.375 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: 425 Temperature: 1.250000 Total energy: -1536.839783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.839783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.839783 (E_RNA) where: Base-Base interactions energy: -916.288 where: short stacking energy: -414.555 Base-Backbone interact. energy: -2.108 local terms energy: -618.443828 where: bonds (distance) C4'-P energy: -123.147 bonds (distance) P-C4' energy: -174.031 flat angles C4'-P-C4' energy: -150.907 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -72.429 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: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1125.955545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.955545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.955545 (E_RNA) where: Base-Base interactions energy: -557.312 where: short stacking energy: -292.205 Base-Backbone interact. energy: -1.568 local terms energy: -567.075758 where: bonds (distance) C4'-P energy: -155.571 bonds (distance) P-C4' energy: -154.846 flat angles C4'-P-C4' energy: -152.200 flat angles P-C4'-P energy: -79.857 tors. eta vs tors. theta energy: -24.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -899.968337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.968337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.968337 (E_RNA) where: Base-Base interactions energy: -397.595 where: short stacking energy: -219.089 Base-Backbone interact. energy: -0.783 local terms energy: -501.589999 where: bonds (distance) C4'-P energy: -172.428 bonds (distance) P-C4' energy: -159.019 flat angles C4'-P-C4' energy: -116.224 flat angles P-C4'-P energy: -82.185 tors. eta vs tors. theta energy: 28.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3154.460144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.460144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.460144 (E_RNA) where: Base-Base interactions energy: -2171.182 where: short stacking energy: -952.907 Base-Backbone interact. energy: -1.327 local terms energy: -981.952023 where: bonds (distance) C4'-P energy: -177.764 bonds (distance) P-C4' energy: -175.405 flat angles C4'-P-C4' energy: -209.246 flat angles P-C4'-P energy: -139.580 tors. eta vs tors. theta energy: -279.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3041.537238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.537238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.537238 (E_RNA) where: Base-Base interactions energy: -2087.763 where: short stacking energy: -875.610 Base-Backbone interact. energy: -1.857 local terms energy: -951.917748 where: bonds (distance) C4'-P energy: -179.851 bonds (distance) P-C4' energy: -188.237 flat angles C4'-P-C4' energy: -199.723 flat angles P-C4'-P energy: -123.792 tors. eta vs tors. theta energy: -260.314 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: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2868.621326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.621326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.621326 (E_RNA) where: Base-Base interactions energy: -1948.796 where: short stacking energy: -822.747 Base-Backbone interact. energy: 4.181 local terms energy: -924.006063 where: bonds (distance) C4'-P energy: -183.010 bonds (distance) P-C4' energy: -188.692 flat angles C4'-P-C4' energy: -198.571 flat angles P-C4'-P energy: -120.829 tors. eta vs tors. theta energy: -232.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2689.361946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.361946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.361946 (E_RNA) where: Base-Base interactions energy: -1791.159 where: short stacking energy: -786.107 Base-Backbone interact. energy: 2.142 local terms energy: -900.344561 where: bonds (distance) C4'-P energy: -176.055 bonds (distance) P-C4' energy: -170.428 flat angles C4'-P-C4' energy: -193.363 flat angles P-C4'-P energy: -129.808 tors. eta vs tors. theta energy: -230.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2252.443962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.443962 (E_RNA) where: Base-Base interactions energy: -1472.744 where: short stacking energy: -677.630 Base-Backbone interact. energy: -3.102 local terms energy: -776.598436 where: bonds (distance) C4'-P energy: -140.502 bonds (distance) P-C4' energy: -165.923 flat angles C4'-P-C4' energy: -185.901 flat angles P-C4'-P energy: -96.317 tors. eta vs tors. theta energy: -187.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2211.611868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.611868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.611868 (E_RNA) where: Base-Base interactions energy: -1468.511 where: short stacking energy: -631.770 Base-Backbone interact. energy: -4.922 local terms energy: -738.178953 where: bonds (distance) C4'-P energy: -160.210 bonds (distance) P-C4' energy: -157.070 flat angles C4'-P-C4' energy: -181.616 flat angles P-C4'-P energy: -91.035 tors. eta vs tors. theta energy: -148.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1876.110821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.110821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.110821 (E_RNA) where: Base-Base interactions energy: -1185.164 where: short stacking energy: -546.386 Base-Backbone interact. energy: -4.303 local terms energy: -686.643615 where: bonds (distance) C4'-P energy: -136.345 bonds (distance) P-C4' energy: -163.768 flat angles C4'-P-C4' energy: -147.552 flat angles P-C4'-P energy: -106.363 tors. eta vs tors. theta energy: -132.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1535.201982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.201982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.201982 (E_RNA) where: Base-Base interactions energy: -926.843 where: short stacking energy: -409.203 Base-Backbone interact. energy: 0.839 local terms energy: -609.197814 where: bonds (distance) C4'-P energy: -125.804 bonds (distance) P-C4' energy: -160.477 flat angles C4'-P-C4' energy: -161.491 flat angles P-C4'-P energy: -100.367 tors. eta vs tors. theta energy: -61.058 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: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1176.519153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.519153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.519153 (E_RNA) where: Base-Base interactions energy: -646.871 where: short stacking energy: -355.707 Base-Backbone interact. energy: -0.934 local terms energy: -528.713926 where: bonds (distance) C4'-P energy: -141.420 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -153.514 flat angles P-C4'-P energy: -72.554 tors. eta vs tors. theta energy: -15.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -853.059295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.059295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.059295 (E_RNA) where: Base-Base interactions energy: -384.380 where: short stacking energy: -251.318 Base-Backbone interact. energy: 1.651 local terms energy: -470.329750 where: bonds (distance) C4'-P energy: -157.525 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -113.706 flat angles P-C4'-P energy: -74.539 tors. eta vs tors. theta energy: 20.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3167.102291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.102291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.102291 (E_RNA) where: Base-Base interactions energy: -2169.924 where: short stacking energy: -926.809 Base-Backbone interact. energy: -5.657 local terms energy: -991.521287 where: bonds (distance) C4'-P energy: -171.738 bonds (distance) P-C4' energy: -199.792 flat angles C4'-P-C4' energy: -204.022 flat angles P-C4'-P energy: -147.108 tors. eta vs tors. theta energy: -268.860 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: 427 Temperature: 0.950000 Total energy: -3042.758479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.758479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.758479 (E_RNA) where: Base-Base interactions energy: -2084.032 where: short stacking energy: -869.491 Base-Backbone interact. energy: 2.530 local terms energy: -961.255987 where: bonds (distance) C4'-P energy: -182.482 bonds (distance) P-C4' energy: -186.274 flat angles C4'-P-C4' energy: -204.216 flat angles P-C4'-P energy: -139.948 tors. eta vs tors. theta energy: -248.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2908.798268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.798268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.798268 (E_RNA) where: Base-Base interactions energy: -2004.547 where: short stacking energy: -892.949 Base-Backbone interact. energy: -4.472 local terms energy: -899.779489 where: bonds (distance) C4'-P energy: -161.376 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -187.855 flat angles P-C4'-P energy: -139.693 tors. eta vs tors. theta energy: -254.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2722.831240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.831240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.831240 (E_RNA) where: Base-Base interactions energy: -1840.830 where: short stacking energy: -844.913 Base-Backbone interact. energy: -0.481 local terms energy: -881.520058 where: bonds (distance) C4'-P energy: -143.548 bonds (distance) P-C4' energy: -153.801 flat angles C4'-P-C4' energy: -209.319 flat angles P-C4'-P energy: -123.855 tors. eta vs tors. theta energy: -250.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2300.601455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.601455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.601455 (E_RNA) where: Base-Base interactions energy: -1501.705 where: short stacking energy: -654.641 Base-Backbone interact. energy: -3.406 local terms energy: -795.490092 where: bonds (distance) C4'-P energy: -150.471 bonds (distance) P-C4' energy: -165.342 flat angles C4'-P-C4' energy: -189.916 flat angles P-C4'-P energy: -109.394 tors. eta vs tors. theta energy: -180.367 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: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2266.103375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.103375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.103375 (E_RNA) where: Base-Base interactions energy: -1495.272 where: short stacking energy: -679.835 Base-Backbone interact. energy: -1.149 local terms energy: -769.681729 where: bonds (distance) C4'-P energy: -138.942 bonds (distance) P-C4' energy: -159.110 flat angles C4'-P-C4' energy: -194.365 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -173.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1870.015156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.015156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.015156 (E_RNA) where: Base-Base interactions energy: -1181.190 where: short stacking energy: -563.372 Base-Backbone interact. energy: 3.799 local terms energy: -692.624562 where: bonds (distance) C4'-P energy: -153.956 bonds (distance) P-C4' energy: -159.596 flat angles C4'-P-C4' energy: -169.267 flat angles P-C4'-P energy: -90.289 tors. eta vs tors. theta energy: -119.517 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: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1618.976394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.976394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.976394 (E_RNA) where: Base-Base interactions energy: -1024.483 where: short stacking energy: -486.111 Base-Backbone interact. energy: 0.532 local terms energy: -595.024823 where: bonds (distance) C4'-P energy: -140.969 bonds (distance) P-C4' energy: -146.595 flat angles C4'-P-C4' energy: -150.466 flat angles P-C4'-P energy: -64.198 tors. eta vs tors. theta energy: -92.797 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: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1141.002898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.002898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.002898 (E_RNA) where: Base-Base interactions energy: -624.693 where: short stacking energy: -313.430 Base-Backbone interact. energy: 3.821 local terms energy: -520.131038 where: bonds (distance) C4'-P energy: -132.674 bonds (distance) P-C4' energy: -147.593 flat angles C4'-P-C4' energy: -149.661 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -17.105 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: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -844.195498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.195498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.195498 (E_RNA) where: Base-Base interactions energy: -370.296 where: short stacking energy: -224.893 Base-Backbone interact. energy: -0.906 local terms energy: -472.993629 where: bonds (distance) C4'-P energy: -152.781 bonds (distance) P-C4' energy: -143.744 flat angles C4'-P-C4' energy: -128.915 flat angles P-C4'-P energy: -59.232 tors. eta vs tors. theta energy: 11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3165.176760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.176760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.176760 (E_RNA) where: Base-Base interactions energy: -2165.198 where: short stacking energy: -926.727 Base-Backbone interact. energy: -3.903 local terms energy: -996.075755 where: bonds (distance) C4'-P energy: -175.334 bonds (distance) P-C4' energy: -189.048 flat angles C4'-P-C4' energy: -212.390 flat angles P-C4'-P energy: -137.708 tors. eta vs tors. theta energy: -281.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3022.334755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.334755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.334755 (E_RNA) where: Base-Base interactions energy: -2104.730 where: short stacking energy: -901.288 Base-Backbone interact. energy: -0.488 local terms energy: -917.117138 where: bonds (distance) C4'-P energy: -152.722 bonds (distance) P-C4' energy: -167.467 flat angles C4'-P-C4' energy: -215.750 flat angles P-C4'-P energy: -128.667 tors. eta vs tors. theta energy: -252.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2884.466460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.466460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.466460 (E_RNA) where: Base-Base interactions energy: -1943.017 where: short stacking energy: -835.511 Base-Backbone interact. energy: -5.081 local terms energy: -936.368201 where: bonds (distance) C4'-P energy: -169.584 bonds (distance) P-C4' energy: -183.588 flat angles C4'-P-C4' energy: -195.217 flat angles P-C4'-P energy: -134.125 tors. eta vs tors. theta energy: -253.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2653.718400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.718400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.718400 (E_RNA) where: Base-Base interactions energy: -1777.174 where: short stacking energy: -779.329 Base-Backbone interact. energy: -3.938 local terms energy: -872.606345 where: bonds (distance) C4'-P energy: -162.343 bonds (distance) P-C4' energy: -164.992 flat angles C4'-P-C4' energy: -195.251 flat angles P-C4'-P energy: -130.600 tors. eta vs tors. theta energy: -219.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2362.483880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.483880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.483880 (E_RNA) where: Base-Base interactions energy: -1528.191 where: short stacking energy: -696.760 Base-Backbone interact. energy: 1.532 local terms energy: -835.824360 where: bonds (distance) C4'-P energy: -177.198 bonds (distance) P-C4' energy: -171.617 flat angles C4'-P-C4' energy: -185.260 flat angles P-C4'-P energy: -113.932 tors. eta vs tors. theta energy: -187.818 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: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2286.939615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.939615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.939615 (E_RNA) where: Base-Base interactions energy: -1497.283 where: short stacking energy: -644.619 Base-Backbone interact. energy: 0.011 local terms energy: -789.668211 where: bonds (distance) C4'-P energy: -150.369 bonds (distance) P-C4' energy: -179.455 flat angles C4'-P-C4' energy: -180.269 flat angles P-C4'-P energy: -111.491 tors. eta vs tors. theta energy: -168.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1886.616026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.616026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.616026 (E_RNA) where: Base-Base interactions energy: -1199.762 where: short stacking energy: -561.535 Base-Backbone interact. energy: -0.695 local terms energy: -686.158642 where: bonds (distance) C4'-P energy: -144.290 bonds (distance) P-C4' energy: -144.513 flat angles C4'-P-C4' energy: -165.971 flat angles P-C4'-P energy: -98.090 tors. eta vs tors. theta energy: -133.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1491.721170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.721170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.721170 (E_RNA) where: Base-Base interactions energy: -868.815 where: short stacking energy: -387.083 Base-Backbone interact. energy: -0.989 local terms energy: -621.917203 where: bonds (distance) C4'-P energy: -134.791 bonds (distance) P-C4' energy: -170.121 flat angles C4'-P-C4' energy: -159.461 flat angles P-C4'-P energy: -95.195 tors. eta vs tors. theta energy: -62.349 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: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1182.632536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.632536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.632536 (E_RNA) where: Base-Base interactions energy: -623.153 where: short stacking energy: -312.729 Base-Backbone interact. energy: -0.090 local terms energy: -559.389349 where: bonds (distance) C4'-P energy: -138.653 bonds (distance) P-C4' energy: -166.153 flat angles C4'-P-C4' energy: -133.172 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -22.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -872.769497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.769497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.769497 (E_RNA) where: Base-Base interactions energy: -400.320 where: short stacking energy: -216.330 Base-Backbone interact. energy: -3.853 local terms energy: -468.596799 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -160.122 flat angles C4'-P-C4' energy: -125.844 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: 5.839 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: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3139.910672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.910672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.910672 (E_RNA) where: Base-Base interactions energy: -2151.442 where: short stacking energy: -945.209 Base-Backbone interact. energy: -2.956 local terms energy: -985.513030 where: bonds (distance) C4'-P energy: -180.848 bonds (distance) P-C4' energy: -192.069 flat angles C4'-P-C4' energy: -204.082 flat angles P-C4'-P energy: -141.037 tors. eta vs tors. theta energy: -267.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3023.812256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.812256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.812256 (E_RNA) where: Base-Base interactions energy: -2075.018 where: short stacking energy: -889.266 Base-Backbone interact. energy: -0.568 local terms energy: -948.225657 where: bonds (distance) C4'-P energy: -170.842 bonds (distance) P-C4' energy: -187.280 flat angles C4'-P-C4' energy: -208.446 flat angles P-C4'-P energy: -130.172 tors. eta vs tors. theta energy: -251.485 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: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2926.377999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.377999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.377999 (E_RNA) where: Base-Base interactions energy: -2017.038 where: short stacking energy: -864.869 Base-Backbone interact. energy: 0.072 local terms energy: -909.411964 where: bonds (distance) C4'-P energy: -155.449 bonds (distance) P-C4' energy: -158.835 flat angles C4'-P-C4' energy: -215.233 flat angles P-C4'-P energy: -123.952 tors. eta vs tors. theta energy: -255.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2593.416230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.416230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.416230 (E_RNA) where: Base-Base interactions energy: -1744.563 where: short stacking energy: -726.936 Base-Backbone interact. energy: -1.114 local terms energy: -847.739483 where: bonds (distance) C4'-P energy: -154.281 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -199.174 flat angles P-C4'-P energy: -123.824 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: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2357.614142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.614142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.614142 (E_RNA) where: Base-Base interactions energy: -1534.608 where: short stacking energy: -671.862 Base-Backbone interact. energy: -1.665 local terms energy: -821.340873 where: bonds (distance) C4'-P energy: -142.382 bonds (distance) P-C4' energy: -185.164 flat angles C4'-P-C4' energy: -187.278 flat angles P-C4'-P energy: -116.315 tors. eta vs tors. theta energy: -190.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2230.942644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.942644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.942644 (E_RNA) where: Base-Base interactions energy: -1470.864 where: short stacking energy: -640.637 Base-Backbone interact. energy: -2.722 local terms energy: -757.356945 where: bonds (distance) C4'-P energy: -162.909 bonds (distance) P-C4' energy: -152.562 flat angles C4'-P-C4' energy: -184.301 flat angles P-C4'-P energy: -102.493 tors. eta vs tors. theta energy: -155.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1871.862690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.862690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.862690 (E_RNA) where: Base-Base interactions energy: -1178.184 where: short stacking energy: -545.855 Base-Backbone interact. energy: -3.498 local terms energy: -690.181015 where: bonds (distance) C4'-P energy: -128.650 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -170.046 flat angles P-C4'-P energy: -102.800 tors. eta vs tors. theta energy: -130.460 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: 429 Temperature: 1.250000 Total energy: -1507.800217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.800217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.800217 (E_RNA) where: Base-Base interactions energy: -900.846 where: short stacking energy: -406.590 Base-Backbone interact. energy: 2.559 local terms energy: -609.512775 where: bonds (distance) C4'-P energy: -142.030 bonds (distance) P-C4' energy: -147.699 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -82.883 tors. eta vs tors. theta energy: -78.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1130.183301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.183301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.183301 (E_RNA) where: Base-Base interactions energy: -628.609 where: short stacking energy: -317.368 Base-Backbone interact. energy: 11.742 local terms energy: -513.316215 where: bonds (distance) C4'-P energy: -152.174 bonds (distance) P-C4' energy: -161.136 flat angles C4'-P-C4' energy: -111.033 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -32.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -861.261683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.261683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.261683 (E_RNA) where: Base-Base interactions energy: -388.001 where: short stacking energy: -233.187 Base-Backbone interact. energy: 0.130 local terms energy: -473.390639 where: bonds (distance) C4'-P energy: -124.652 bonds (distance) P-C4' energy: -135.278 flat angles C4'-P-C4' energy: -146.704 flat angles P-C4'-P energy: -87.346 tors. eta vs tors. theta energy: 20.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3158.911610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.911610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.911610 (E_RNA) where: Base-Base interactions energy: -2165.609 where: short stacking energy: -911.911 Base-Backbone interact. energy: -0.993 local terms energy: -992.309834 where: bonds (distance) C4'-P energy: -181.721 bonds (distance) P-C4' energy: -181.849 flat angles C4'-P-C4' energy: -214.735 flat angles P-C4'-P energy: -140.062 tors. eta vs tors. theta energy: -273.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3017.478690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.478690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.478690 (E_RNA) where: Base-Base interactions energy: -2078.893 where: short stacking energy: -916.287 Base-Backbone interact. energy: -2.300 local terms energy: -936.285380 where: bonds (distance) C4'-P energy: -177.727 bonds (distance) P-C4' energy: -171.412 flat angles C4'-P-C4' energy: -192.603 flat angles P-C4'-P energy: -131.822 tors. eta vs tors. theta energy: -262.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2908.306535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.306535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.306535 (E_RNA) where: Base-Base interactions energy: -1975.481 where: short stacking energy: -838.986 Base-Backbone interact. energy: -2.462 local terms energy: -930.363832 where: bonds (distance) C4'-P energy: -170.737 bonds (distance) P-C4' energy: -168.581 flat angles C4'-P-C4' energy: -211.108 flat angles P-C4'-P energy: -133.921 tors. eta vs tors. theta energy: -246.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2612.685803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.685803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.685803 (E_RNA) where: Base-Base interactions energy: -1762.926 where: short stacking energy: -758.700 Base-Backbone interact. energy: -3.285 local terms energy: -846.474320 where: bonds (distance) C4'-P energy: -146.126 bonds (distance) P-C4' energy: -185.064 flat angles C4'-P-C4' energy: -197.541 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -221.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2383.550336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.550336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.550336 (E_RNA) where: Base-Base interactions energy: -1601.453 where: short stacking energy: -695.103 Base-Backbone interact. energy: -3.151 local terms energy: -778.945852 where: bonds (distance) C4'-P energy: -125.724 bonds (distance) P-C4' energy: -170.705 flat angles C4'-P-C4' energy: -182.638 flat angles P-C4'-P energy: -106.167 tors. eta vs tors. theta energy: -193.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2273.433589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.433589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.433589 (E_RNA) where: Base-Base interactions energy: -1511.653 where: short stacking energy: -671.216 Base-Backbone interact. energy: 2.408 local terms energy: -764.188467 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -148.998 flat angles C4'-P-C4' energy: -173.071 flat angles P-C4'-P energy: -116.879 tors. eta vs tors. theta energy: -170.817 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: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1813.579808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.579808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.579808 (E_RNA) where: Base-Base interactions energy: -1110.006 where: short stacking energy: -523.838 Base-Backbone interact. energy: -0.093 local terms energy: -703.481166 where: bonds (distance) C4'-P energy: -168.249 bonds (distance) P-C4' energy: -146.239 flat angles C4'-P-C4' energy: -159.260 flat angles P-C4'-P energy: -109.438 tors. eta vs tors. theta energy: -120.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1551.611747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.611747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.611747 (E_RNA) where: Base-Base interactions energy: -921.265 where: short stacking energy: -415.205 Base-Backbone interact. energy: 2.382 local terms energy: -632.728931 where: bonds (distance) C4'-P energy: -150.139 bonds (distance) P-C4' energy: -160.750 flat angles C4'-P-C4' energy: -156.725 flat angles P-C4'-P energy: -90.630 tors. eta vs tors. theta energy: -74.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1094.277662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.277662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.277662 (E_RNA) where: Base-Base interactions energy: -561.384 where: short stacking energy: -281.946 Base-Backbone interact. energy: 6.103 local terms energy: -538.996860 where: bonds (distance) C4'-P energy: -140.196 bonds (distance) P-C4' energy: -146.319 flat angles C4'-P-C4' energy: -150.840 flat angles P-C4'-P energy: -83.860 tors. eta vs tors. theta energy: -17.782 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: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -870.903376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.903376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.903376 (E_RNA) where: Base-Base interactions energy: -388.482 where: short stacking energy: -249.740 Base-Backbone interact. energy: 4.866 local terms energy: -487.287449 where: bonds (distance) C4'-P energy: -147.236 bonds (distance) P-C4' energy: -154.756 flat angles C4'-P-C4' energy: -119.768 flat angles P-C4'-P energy: -69.562 tors. eta vs tors. theta energy: 4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3151.603695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.603695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.603695 (E_RNA) where: Base-Base interactions energy: -2158.908 where: short stacking energy: -902.309 Base-Backbone interact. energy: -5.810 local terms energy: -986.885935 where: bonds (distance) C4'-P energy: -173.808 bonds (distance) P-C4' energy: -191.066 flat angles C4'-P-C4' energy: -214.875 flat angles P-C4'-P energy: -141.254 tors. eta vs tors. theta energy: -265.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3019.761461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.761461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.761461 (E_RNA) where: Base-Base interactions energy: -2092.676 where: short stacking energy: -908.092 Base-Backbone interact. energy: -4.319 local terms energy: -922.766794 where: bonds (distance) C4'-P energy: -166.819 bonds (distance) P-C4' energy: -163.330 flat angles C4'-P-C4' energy: -200.972 flat angles P-C4'-P energy: -125.002 tors. eta vs tors. theta energy: -266.645 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: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2946.115038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.115038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.115038 (E_RNA) where: Base-Base interactions energy: -2004.611 where: short stacking energy: -825.683 Base-Backbone interact. energy: -3.999 local terms energy: -937.504559 where: bonds (distance) C4'-P energy: -175.983 bonds (distance) P-C4' energy: -184.748 flat angles C4'-P-C4' energy: -202.755 flat angles P-C4'-P energy: -123.478 tors. eta vs tors. theta energy: -250.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2636.059396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.059396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.059396 (E_RNA) where: Base-Base interactions energy: -1780.466 where: short stacking energy: -796.382 Base-Backbone interact. energy: -3.265 local terms energy: -852.328785 where: bonds (distance) C4'-P energy: -156.447 bonds (distance) P-C4' energy: -171.539 flat angles C4'-P-C4' energy: -180.915 flat angles P-C4'-P energy: -117.406 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: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2397.947390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.947390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.947390 (E_RNA) where: Base-Base interactions energy: -1586.605 where: short stacking energy: -693.684 Base-Backbone interact. energy: -2.056 local terms energy: -809.285788 where: bonds (distance) C4'-P energy: -164.192 bonds (distance) P-C4' energy: -166.046 flat angles C4'-P-C4' energy: -179.835 flat angles P-C4'-P energy: -101.096 tors. eta vs tors. theta energy: -198.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2237.123299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.123299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.123299 (E_RNA) where: Base-Base interactions energy: -1464.815 where: short stacking energy: -645.634 Base-Backbone interact. energy: 0.929 local terms energy: -773.237371 where: bonds (distance) C4'-P energy: -145.189 bonds (distance) P-C4' energy: -168.730 flat angles C4'-P-C4' energy: -167.503 flat angles P-C4'-P energy: -117.405 tors. eta vs tors. theta energy: -174.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1817.758851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.758851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.758851 (E_RNA) where: Base-Base interactions energy: -1135.796 where: short stacking energy: -519.903 Base-Backbone interact. energy: 0.979 local terms energy: -682.942355 where: bonds (distance) C4'-P energy: -139.567 bonds (distance) P-C4' energy: -162.525 flat angles C4'-P-C4' energy: -160.484 flat angles P-C4'-P energy: -99.591 tors. eta vs tors. theta energy: -120.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1634.895326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.895326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.895326 (E_RNA) where: Base-Base interactions energy: -999.615 where: short stacking energy: -461.053 Base-Backbone interact. energy: 1.267 local terms energy: -636.547477 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -163.414 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -100.393 tors. eta vs tors. theta energy: -90.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1094.450375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.450375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.450375 (E_RNA) where: Base-Base interactions energy: -536.687 where: short stacking energy: -309.595 Base-Backbone interact. energy: -2.721 local terms energy: -555.042513 where: bonds (distance) C4'-P energy: -152.030 bonds (distance) P-C4' energy: -173.519 flat angles C4'-P-C4' energy: -129.576 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -27.049 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: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -860.042520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.042520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.042520 (E_RNA) where: Base-Base interactions energy: -390.168 where: short stacking energy: -242.686 Base-Backbone interact. energy: -3.821 local terms energy: -466.053451 where: bonds (distance) C4'-P energy: -147.256 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -117.389 flat angles P-C4'-P energy: -75.244 tors. eta vs tors. theta energy: 16.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3139.526936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.526936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.526936 (E_RNA) where: Base-Base interactions energy: -2154.859 where: short stacking energy: -950.139 Base-Backbone interact. energy: -4.666 local terms energy: -980.002048 where: bonds (distance) C4'-P energy: -164.991 bonds (distance) P-C4' energy: -183.461 flat angles C4'-P-C4' energy: -211.878 flat angles P-C4'-P energy: -147.942 tors. eta vs tors. theta energy: -271.730 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: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3054.973053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.973053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.973053 (E_RNA) where: Base-Base interactions energy: -2104.715 where: short stacking energy: -877.428 Base-Backbone interact. energy: 0.344 local terms energy: -950.602437 where: bonds (distance) C4'-P energy: -186.238 bonds (distance) P-C4' energy: -180.371 flat angles C4'-P-C4' energy: -206.739 flat angles P-C4'-P energy: -116.459 tors. eta vs tors. theta energy: -260.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2932.495640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.495640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.495640 (E_RNA) where: Base-Base interactions energy: -2019.521 where: short stacking energy: -839.518 Base-Backbone interact. energy: -2.630 local terms energy: -910.343923 where: bonds (distance) C4'-P energy: -157.420 bonds (distance) P-C4' energy: -182.508 flat angles C4'-P-C4' energy: -192.108 flat angles P-C4'-P energy: -131.772 tors. eta vs tors. theta energy: -246.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2699.814172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.814172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.814172 (E_RNA) where: Base-Base interactions energy: -1821.236 where: short stacking energy: -812.020 Base-Backbone interact. energy: 0.766 local terms energy: -879.344528 where: bonds (distance) C4'-P energy: -171.391 bonds (distance) P-C4' energy: -172.786 flat angles C4'-P-C4' energy: -185.631 flat angles P-C4'-P energy: -114.929 tors. eta vs tors. theta energy: -234.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2393.519636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.519636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.519636 (E_RNA) where: Base-Base interactions energy: -1549.838 where: short stacking energy: -679.387 Base-Backbone interact. energy: 5.914 local terms energy: -849.595365 where: bonds (distance) C4'-P energy: -190.465 bonds (distance) P-C4' energy: -190.810 flat angles C4'-P-C4' energy: -171.630 flat angles P-C4'-P energy: -117.296 tors. eta vs tors. theta energy: -179.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2283.749547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.749547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.749547 (E_RNA) where: Base-Base interactions energy: -1470.745 where: short stacking energy: -690.194 Base-Backbone interact. energy: -1.846 local terms energy: -811.158062 where: bonds (distance) C4'-P energy: -150.359 bonds (distance) P-C4' energy: -166.197 flat angles C4'-P-C4' energy: -172.267 flat angles P-C4'-P energy: -132.645 tors. eta vs tors. theta energy: -189.690 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: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1840.065319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.065319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.065319 (E_RNA) where: Base-Base interactions energy: -1175.267 where: short stacking energy: -552.351 Base-Backbone interact. energy: 1.049 local terms energy: -665.846709 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -149.517 flat angles C4'-P-C4' energy: -149.270 flat angles P-C4'-P energy: -122.418 tors. eta vs tors. theta energy: -113.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1611.387084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.387084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.387084 (E_RNA) where: Base-Base interactions energy: -1024.587 where: short stacking energy: -447.547 Base-Backbone interact. energy: 3.948 local terms energy: -590.748270 where: bonds (distance) C4'-P energy: -144.316 bonds (distance) P-C4' energy: -144.911 flat angles C4'-P-C4' energy: -141.087 flat angles P-C4'-P energy: -87.547 tors. eta vs tors. theta energy: -72.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1066.434296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.434296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.434296 (E_RNA) where: Base-Base interactions energy: -522.396 where: short stacking energy: -282.335 Base-Backbone interact. energy: -2.875 local terms energy: -541.163188 where: bonds (distance) C4'-P energy: -148.656 bonds (distance) P-C4' energy: -166.670 flat angles C4'-P-C4' energy: -133.501 flat angles P-C4'-P energy: -84.594 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -917.298147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.298147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.298147 (E_RNA) where: Base-Base interactions energy: -449.147 where: short stacking energy: -260.780 Base-Backbone interact. energy: -3.110 local terms energy: -465.040954 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -141.807 flat angles C4'-P-C4' energy: -116.870 flat angles P-C4'-P energy: -64.009 tors. eta vs tors. theta energy: 0.717 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: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3157.329099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.329099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.329099 (E_RNA) where: Base-Base interactions energy: -2156.012 where: short stacking energy: -951.400 Base-Backbone interact. energy: -0.908 local terms energy: -1000.408811 where: bonds (distance) C4'-P energy: -165.537 bonds (distance) P-C4' energy: -187.617 flat angles C4'-P-C4' energy: -222.304 flat angles P-C4'-P energy: -142.234 tors. eta vs tors. theta energy: -282.718 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: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3050.035488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.035488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.035488 (E_RNA) where: Base-Base interactions energy: -2107.810 where: short stacking energy: -899.339 Base-Backbone interact. energy: -4.007 local terms energy: -938.218931 where: bonds (distance) C4'-P energy: -168.054 bonds (distance) P-C4' energy: -186.034 flat angles C4'-P-C4' energy: -188.884 flat angles P-C4'-P energy: -134.162 tors. eta vs tors. theta energy: -261.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -3006.525841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.525841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.525841 (E_RNA) where: Base-Base interactions energy: -2044.163 where: short stacking energy: -901.127 Base-Backbone interact. energy: -4.670 local terms energy: -957.692437 where: bonds (distance) C4'-P energy: -161.436 bonds (distance) P-C4' energy: -167.703 flat angles C4'-P-C4' energy: -211.109 flat angles P-C4'-P energy: -147.865 tors. eta vs tors. theta energy: -269.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2659.667834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.667834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.667834 (E_RNA) where: Base-Base interactions energy: -1769.249 where: short stacking energy: -807.188 Base-Backbone interact. energy: -0.896 local terms energy: -889.523216 where: bonds (distance) C4'-P energy: -174.261 bonds (distance) P-C4' energy: -168.158 flat angles C4'-P-C4' energy: -193.240 flat angles P-C4'-P energy: -115.004 tors. eta vs tors. theta energy: -238.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2388.820085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.820085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.820085 (E_RNA) where: Base-Base interactions energy: -1579.899 where: short stacking energy: -727.195 Base-Backbone interact. energy: -0.941 local terms energy: -807.980188 where: bonds (distance) C4'-P energy: -164.832 bonds (distance) P-C4' energy: -156.955 flat angles C4'-P-C4' energy: -187.618 flat angles P-C4'-P energy: -107.400 tors. eta vs tors. theta energy: -191.175 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: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2163.953027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.953027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.953027 (E_RNA) where: Base-Base interactions energy: -1393.033 where: short stacking energy: -623.743 Base-Backbone interact. energy: -3.462 local terms energy: -767.457516 where: bonds (distance) C4'-P energy: -161.779 bonds (distance) P-C4' energy: -152.542 flat angles C4'-P-C4' energy: -190.154 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -153.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1862.030064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.030064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.030064 (E_RNA) where: Base-Base interactions energy: -1162.585 where: short stacking energy: -502.147 Base-Backbone interact. energy: 1.256 local terms energy: -700.700671 where: bonds (distance) C4'-P energy: -146.469 bonds (distance) P-C4' energy: -164.936 flat angles C4'-P-C4' energy: -185.102 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -104.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1693.595728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.595728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.595728 (E_RNA) where: Base-Base interactions energy: -1072.946 where: short stacking energy: -458.064 Base-Backbone interact. energy: 0.613 local terms energy: -621.263023 where: bonds (distance) C4'-P energy: -139.852 bonds (distance) P-C4' energy: -152.702 flat angles C4'-P-C4' energy: -135.102 flat angles P-C4'-P energy: -101.403 tors. eta vs tors. theta energy: -92.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1101.044859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.044859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.044859 (E_RNA) where: Base-Base interactions energy: -595.642 where: short stacking energy: -319.258 Base-Backbone interact. energy: 4.155 local terms energy: -509.557294 where: bonds (distance) C4'-P energy: -155.269 bonds (distance) P-C4' energy: -149.133 flat angles C4'-P-C4' energy: -125.957 flat angles P-C4'-P energy: -66.074 tors. eta vs tors. theta energy: -13.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -881.456060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.456060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.456060 (E_RNA) where: Base-Base interactions energy: -397.133 where: short stacking energy: -228.785 Base-Backbone interact. energy: -1.084 local terms energy: -483.239366 where: bonds (distance) C4'-P energy: -169.849 bonds (distance) P-C4' energy: -153.908 flat angles C4'-P-C4' energy: -117.722 flat angles P-C4'-P energy: -80.080 tors. eta vs tors. theta energy: 38.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3180.069184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.069184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.069184 (E_RNA) where: Base-Base interactions energy: -2169.768 where: short stacking energy: -903.947 Base-Backbone interact. energy: -3.821 local terms energy: -1006.480270 where: bonds (distance) C4'-P energy: -172.433 bonds (distance) P-C4' energy: -191.513 flat angles C4'-P-C4' energy: -208.711 flat angles P-C4'-P energy: -139.931 tors. eta vs tors. theta energy: -293.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3046.917533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.917533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.917533 (E_RNA) where: Base-Base interactions energy: -2106.168 where: short stacking energy: -893.639 Base-Backbone interact. energy: -1.999 local terms energy: -938.750364 where: bonds (distance) C4'-P energy: -183.817 bonds (distance) P-C4' energy: -163.242 flat angles C4'-P-C4' energy: -211.968 flat angles P-C4'-P energy: -125.047 tors. eta vs tors. theta energy: -254.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2957.784662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.784662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.784662 (E_RNA) where: Base-Base interactions energy: -2016.897 where: short stacking energy: -871.999 Base-Backbone interact. energy: -4.187 local terms energy: -936.701068 where: bonds (distance) C4'-P energy: -161.527 bonds (distance) P-C4' energy: -187.193 flat angles C4'-P-C4' energy: -201.809 flat angles P-C4'-P energy: -129.496 tors. eta vs tors. theta energy: -256.676 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: 434 Temperature: 1.050000 Total energy: -2650.542045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.542045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.542045 (E_RNA) where: Base-Base interactions energy: -1794.156 where: short stacking energy: -813.520 Base-Backbone interact. energy: -0.477 local terms energy: -855.909577 where: bonds (distance) C4'-P energy: -166.932 bonds (distance) P-C4' energy: -153.126 flat angles C4'-P-C4' energy: -185.458 flat angles P-C4'-P energy: -112.991 tors. eta vs tors. theta energy: -237.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2362.705157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.705157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.705157 (E_RNA) where: Base-Base interactions energy: -1573.837 where: short stacking energy: -692.159 Base-Backbone interact. energy: 0.677 local terms energy: -789.545375 where: bonds (distance) C4'-P energy: -130.255 bonds (distance) P-C4' energy: -169.021 flat angles C4'-P-C4' energy: -185.451 flat angles P-C4'-P energy: -117.009 tors. eta vs tors. theta energy: -187.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2274.814421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.814421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.814421 (E_RNA) where: Base-Base interactions energy: -1489.426 where: short stacking energy: -691.534 Base-Backbone interact. energy: 0.612 local terms energy: -786.000179 where: bonds (distance) C4'-P energy: -143.707 bonds (distance) P-C4' energy: -166.874 flat angles C4'-P-C4' energy: -179.056 flat angles P-C4'-P energy: -114.070 tors. eta vs tors. theta energy: -182.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1814.597399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.597399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.597399 (E_RNA) where: Base-Base interactions energy: -1145.623 where: short stacking energy: -522.043 Base-Backbone interact. energy: 3.018 local terms energy: -671.991899 where: bonds (distance) C4'-P energy: -152.477 bonds (distance) P-C4' energy: -157.465 flat angles C4'-P-C4' energy: -149.807 flat angles P-C4'-P energy: -110.670 tors. eta vs tors. theta energy: -101.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1678.460017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.460017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.460017 (E_RNA) where: Base-Base interactions energy: -1005.022 where: short stacking energy: -459.663 Base-Backbone interact. energy: -1.761 local terms energy: -671.677344 where: bonds (distance) C4'-P energy: -160.939 bonds (distance) P-C4' energy: -166.122 flat angles C4'-P-C4' energy: -162.285 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -92.173 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: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1060.617182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.617182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.617182 (E_RNA) where: Base-Base interactions energy: -551.705 where: short stacking energy: -282.353 Base-Backbone interact. energy: 10.831 local terms energy: -519.743702 where: bonds (distance) C4'-P energy: -148.241 bonds (distance) P-C4' energy: -168.472 flat angles C4'-P-C4' energy: -130.150 flat angles P-C4'-P energy: -73.691 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -873.288089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.288089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.288089 (E_RNA) where: Base-Base interactions energy: -401.677 where: short stacking energy: -259.933 Base-Backbone interact. energy: -4.992 local terms energy: -466.619000 where: bonds (distance) C4'-P energy: -138.961 bonds (distance) P-C4' energy: -166.504 flat angles C4'-P-C4' energy: -122.265 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: 24.183 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: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3207.006748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.006748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.006748 (E_RNA) where: Base-Base interactions energy: -2176.558 where: short stacking energy: -942.872 Base-Backbone interact. energy: -2.151 local terms energy: -1028.297912 where: bonds (distance) C4'-P energy: -195.394 bonds (distance) P-C4' energy: -192.874 flat angles C4'-P-C4' energy: -213.240 flat angles P-C4'-P energy: -144.584 tors. eta vs tors. theta energy: -282.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3036.600664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.600664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.600664 (E_RNA) where: Base-Base interactions energy: -2067.279 where: short stacking energy: -891.764 Base-Backbone interact. energy: -1.153 local terms energy: -968.168298 where: bonds (distance) C4'-P energy: -173.170 bonds (distance) P-C4' energy: -175.310 flat angles C4'-P-C4' energy: -207.695 flat angles P-C4'-P energy: -146.580 tors. eta vs tors. theta energy: -265.412 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: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2970.932999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.932999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.932999 (E_RNA) where: Base-Base interactions energy: -2022.388 where: short stacking energy: -871.472 Base-Backbone interact. energy: -3.123 local terms energy: -945.422529 where: bonds (distance) C4'-P energy: -180.002 bonds (distance) P-C4' energy: -174.483 flat angles C4'-P-C4' energy: -201.079 flat angles P-C4'-P energy: -128.418 tors. eta vs tors. theta energy: -261.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2609.385770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.385770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.385770 (E_RNA) where: Base-Base interactions energy: -1747.676 where: short stacking energy: -780.102 Base-Backbone interact. energy: 1.903 local terms energy: -863.612376 where: bonds (distance) C4'-P energy: -165.444 bonds (distance) P-C4' energy: -166.945 flat angles C4'-P-C4' energy: -190.182 flat angles P-C4'-P energy: -121.723 tors. eta vs tors. theta energy: -219.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2396.489454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.489454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.489454 (E_RNA) where: Base-Base interactions energy: -1574.030 where: short stacking energy: -701.738 Base-Backbone interact. energy: -1.876 local terms energy: -820.583704 where: bonds (distance) C4'-P energy: -164.649 bonds (distance) P-C4' energy: -167.241 flat angles C4'-P-C4' energy: -175.512 flat angles P-C4'-P energy: -114.951 tors. eta vs tors. theta energy: -198.231 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: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2230.694645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.694645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.694645 (E_RNA) where: Base-Base interactions energy: -1471.836 where: short stacking energy: -666.403 Base-Backbone interact. energy: -3.379 local terms energy: -755.479546 where: bonds (distance) C4'-P energy: -125.325 bonds (distance) P-C4' energy: -178.191 flat angles C4'-P-C4' energy: -175.592 flat angles P-C4'-P energy: -111.838 tors. eta vs tors. theta energy: -164.533 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: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1818.105257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.105257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.105257 (E_RNA) where: Base-Base interactions energy: -1124.959 where: short stacking energy: -541.455 Base-Backbone interact. energy: 1.274 local terms energy: -694.419911 where: bonds (distance) C4'-P energy: -144.852 bonds (distance) P-C4' energy: -166.300 flat angles C4'-P-C4' energy: -154.812 flat angles P-C4'-P energy: -94.951 tors. eta vs tors. theta energy: -133.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1633.384240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.384240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.384240 (E_RNA) where: Base-Base interactions energy: -1024.410 where: short stacking energy: -457.325 Base-Backbone interact. energy: 1.628 local terms energy: -610.602256 where: bonds (distance) C4'-P energy: -143.679 bonds (distance) P-C4' energy: -146.942 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -84.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1059.647773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.647773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.647773 (E_RNA) where: Base-Base interactions energy: -527.444 where: short stacking energy: -307.669 Base-Backbone interact. energy: -0.256 local terms energy: -531.947613 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -151.425 flat angles C4'-P-C4' energy: -123.558 flat angles P-C4'-P energy: -88.273 tors. eta vs tors. theta energy: -23.757 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: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -764.657350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.657350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.657350 (E_RNA) where: Base-Base interactions energy: -293.097 where: short stacking energy: -186.487 Base-Backbone interact. energy: -1.563 local terms energy: -469.997538 where: bonds (distance) C4'-P energy: -143.750 bonds (distance) P-C4' energy: -163.665 flat angles C4'-P-C4' energy: -124.491 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: 37.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3145.222852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.222852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.222852 (E_RNA) where: Base-Base interactions energy: -2161.309 where: short stacking energy: -952.415 Base-Backbone interact. energy: -3.388 local terms energy: -980.526196 where: bonds (distance) C4'-P energy: -173.020 bonds (distance) P-C4' energy: -190.357 flat angles C4'-P-C4' energy: -206.418 flat angles P-C4'-P energy: -129.275 tors. eta vs tors. theta energy: -281.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3038.659874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.659874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.659874 (E_RNA) where: Base-Base interactions energy: -2091.656 where: short stacking energy: -886.389 Base-Backbone interact. energy: -1.287 local terms energy: -945.716888 where: bonds (distance) C4'-P energy: -174.041 bonds (distance) P-C4' energy: -170.821 flat angles C4'-P-C4' energy: -209.668 flat angles P-C4'-P energy: -141.850 tors. eta vs tors. theta energy: -249.336 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -3016.834562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.834562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.834562 (E_RNA) where: Base-Base interactions energy: -2083.809 where: short stacking energy: -899.680 Base-Backbone interact. energy: 5.104 local terms energy: -938.128793 where: bonds (distance) C4'-P energy: -167.629 bonds (distance) P-C4' energy: -177.516 flat angles C4'-P-C4' energy: -200.394 flat angles P-C4'-P energy: -127.725 tors. eta vs tors. theta energy: -264.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2630.508632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.508632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.508632 (E_RNA) where: Base-Base interactions energy: -1795.406 where: short stacking energy: -785.943 Base-Backbone interact. energy: -2.759 local terms energy: -832.344282 where: bonds (distance) C4'-P energy: -166.225 bonds (distance) P-C4' energy: -152.594 flat angles C4'-P-C4' energy: -188.875 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -224.912 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: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2376.640365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.640365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.640365 (E_RNA) where: Base-Base interactions energy: -1606.565 where: short stacking energy: -722.290 Base-Backbone interact. energy: 1.074 local terms energy: -771.149375 where: bonds (distance) C4'-P energy: -151.820 bonds (distance) P-C4' energy: -152.610 flat angles C4'-P-C4' energy: -175.316 flat angles P-C4'-P energy: -96.059 tors. eta vs tors. theta energy: -195.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2259.406538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.406538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.406538 (E_RNA) where: Base-Base interactions energy: -1497.713 where: short stacking energy: -645.047 Base-Backbone interact. energy: 3.955 local terms energy: -765.649297 where: bonds (distance) C4'-P energy: -169.562 bonds (distance) P-C4' energy: -139.579 flat angles C4'-P-C4' energy: -169.314 flat angles P-C4'-P energy: -118.972 tors. eta vs tors. theta energy: -168.222 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: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1896.443581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.443581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.443581 (E_RNA) where: Base-Base interactions energy: -1207.356 where: short stacking energy: -553.014 Base-Backbone interact. energy: -0.269 local terms energy: -688.818601 where: bonds (distance) C4'-P energy: -143.537 bonds (distance) P-C4' energy: -140.510 flat angles C4'-P-C4' energy: -160.543 flat angles P-C4'-P energy: -112.333 tors. eta vs tors. theta energy: -131.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1660.009877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.009877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.009877 (E_RNA) where: Base-Base interactions energy: -1039.831 where: short stacking energy: -448.888 Base-Backbone interact. energy: -2.516 local terms energy: -617.662444 where: bonds (distance) C4'-P energy: -155.367 bonds (distance) P-C4' energy: -140.962 flat angles C4'-P-C4' energy: -144.726 flat angles P-C4'-P energy: -97.800 tors. eta vs tors. theta energy: -78.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1006.397343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.397343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.397343 (E_RNA) where: Base-Base interactions energy: -488.505 where: short stacking energy: -290.728 Base-Backbone interact. energy: -0.642 local terms energy: -517.250588 where: bonds (distance) C4'-P energy: -136.140 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -149.631 flat angles P-C4'-P energy: -76.446 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -758.250379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.250379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.250379 (E_RNA) where: Base-Base interactions energy: -299.210 where: short stacking energy: -196.238 Base-Backbone interact. energy: 4.469 local terms energy: -463.508818 where: bonds (distance) C4'-P energy: -147.772 bonds (distance) P-C4' energy: -157.845 flat angles C4'-P-C4' energy: -114.380 flat angles P-C4'-P energy: -70.044 tors. eta vs tors. theta energy: 26.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3144.527594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.527594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.527594 (E_RNA) where: Base-Base interactions energy: -2125.156 where: short stacking energy: -911.217 Base-Backbone interact. energy: -2.228 local terms energy: -1017.143156 where: bonds (distance) C4'-P energy: -188.140 bonds (distance) P-C4' energy: -190.635 flat angles C4'-P-C4' energy: -215.158 flat angles P-C4'-P energy: -156.573 tors. eta vs tors. theta energy: -266.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3025.593310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.593310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.593310 (E_RNA) where: Base-Base interactions energy: -2099.080 where: short stacking energy: -911.206 Base-Backbone interact. energy: 0.745 local terms energy: -927.258877 where: bonds (distance) C4'-P energy: -175.661 bonds (distance) P-C4' energy: -171.600 flat angles C4'-P-C4' energy: -179.289 flat angles P-C4'-P energy: -138.181 tors. eta vs tors. theta energy: -262.527 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: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2978.529616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.529616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.529616 (E_RNA) where: Base-Base interactions energy: -2059.272 where: short stacking energy: -887.452 Base-Backbone interact. energy: 0.555 local terms energy: -919.812785 where: bonds (distance) C4'-P energy: -158.029 bonds (distance) P-C4' energy: -166.996 flat angles C4'-P-C4' energy: -196.167 flat angles P-C4'-P energy: -130.787 tors. eta vs tors. theta energy: -267.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2646.107001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.107001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.107001 (E_RNA) where: Base-Base interactions energy: -1783.401 where: short stacking energy: -792.313 Base-Backbone interact. energy: -4.824 local terms energy: -857.882682 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -158.214 flat angles C4'-P-C4' energy: -194.567 flat angles P-C4'-P energy: -123.521 tors. eta vs tors. theta energy: -236.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2368.405155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.405155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.405155 (E_RNA) where: Base-Base interactions energy: -1601.376 where: short stacking energy: -726.032 Base-Backbone interact. energy: 2.002 local terms energy: -769.031318 where: bonds (distance) C4'-P energy: -160.434 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -173.748 flat angles P-C4'-P energy: -109.023 tors. eta vs tors. theta energy: -185.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2224.037923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.037923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.037923 (E_RNA) where: Base-Base interactions energy: -1447.083 where: short stacking energy: -622.804 Base-Backbone interact. energy: -2.482 local terms energy: -774.473321 where: bonds (distance) C4'-P energy: -145.447 bonds (distance) P-C4' energy: -165.629 flat angles C4'-P-C4' energy: -170.185 flat angles P-C4'-P energy: -116.956 tors. eta vs tors. theta energy: -176.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1842.009483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.009483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.009483 (E_RNA) where: Base-Base interactions energy: -1147.880 where: short stacking energy: -511.960 Base-Backbone interact. energy: -2.473 local terms energy: -691.656312 where: bonds (distance) C4'-P energy: -142.319 bonds (distance) P-C4' energy: -169.806 flat angles C4'-P-C4' energy: -174.870 flat angles P-C4'-P energy: -81.101 tors. eta vs tors. theta energy: -123.561 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: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1579.229111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.229111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.229111 (E_RNA) where: Base-Base interactions energy: -939.966 where: short stacking energy: -419.672 Base-Backbone interact. energy: -0.793 local terms energy: -638.470372 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -172.195 flat angles C4'-P-C4' energy: -140.005 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -87.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1011.784490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.784490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.784490 (E_RNA) where: Base-Base interactions energy: -527.517 where: short stacking energy: -294.189 Base-Backbone interact. energy: 0.572 local terms energy: -484.840048 where: bonds (distance) C4'-P energy: -149.467 bonds (distance) P-C4' energy: -150.358 flat angles C4'-P-C4' energy: -138.659 flat angles P-C4'-P energy: -59.019 tors. eta vs tors. theta energy: 12.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -836.571248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.571248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.571248 (E_RNA) where: Base-Base interactions energy: -344.020 where: short stacking energy: -220.083 Base-Backbone interact. energy: 10.571 local terms energy: -503.122394 where: bonds (distance) C4'-P energy: -155.348 bonds (distance) P-C4' energy: -131.292 flat angles C4'-P-C4' energy: -139.701 flat angles P-C4'-P energy: -90.268 tors. eta vs tors. theta energy: 13.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3145.922604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.922604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.922604 (E_RNA) where: Base-Base interactions energy: -2133.764 where: short stacking energy: -939.829 Base-Backbone interact. energy: -7.480 local terms energy: -1004.678849 where: bonds (distance) C4'-P energy: -178.889 bonds (distance) P-C4' energy: -187.948 flat angles C4'-P-C4' energy: -211.208 flat angles P-C4'-P energy: -137.518 tors. eta vs tors. theta energy: -289.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3028.446120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.446120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.446120 (E_RNA) where: Base-Base interactions energy: -2090.039 where: short stacking energy: -913.827 Base-Backbone interact. energy: -1.869 local terms energy: -936.538195 where: bonds (distance) C4'-P energy: -174.980 bonds (distance) P-C4' energy: -154.023 flat angles C4'-P-C4' energy: -209.719 flat angles P-C4'-P energy: -135.698 tors. eta vs tors. theta energy: -262.118 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: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -3012.631769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.631769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.631769 (E_RNA) where: Base-Base interactions energy: -2063.483 where: short stacking energy: -880.324 Base-Backbone interact. energy: -5.006 local terms energy: -944.142231 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -168.473 flat angles C4'-P-C4' energy: -199.098 flat angles P-C4'-P energy: -139.956 tors. eta vs tors. theta energy: -281.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2655.119239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.119239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.119239 (E_RNA) where: Base-Base interactions energy: -1815.955 where: short stacking energy: -786.994 Base-Backbone interact. energy: -3.478 local terms energy: -835.686181 where: bonds (distance) C4'-P energy: -138.111 bonds (distance) P-C4' energy: -157.046 flat angles C4'-P-C4' energy: -199.498 flat angles P-C4'-P energy: -112.015 tors. eta vs tors. theta energy: -229.016 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: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2430.671101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.671101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.671101 (E_RNA) where: Base-Base interactions energy: -1633.086 where: short stacking energy: -722.500 Base-Backbone interact. energy: -2.649 local terms energy: -794.935640 where: bonds (distance) C4'-P energy: -165.257 bonds (distance) P-C4' energy: -164.104 flat angles C4'-P-C4' energy: -175.630 flat angles P-C4'-P energy: -103.170 tors. eta vs tors. theta energy: -186.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2238.547503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.547503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.547503 (E_RNA) where: Base-Base interactions energy: -1449.790 where: short stacking energy: -680.497 Base-Backbone interact. energy: -3.585 local terms energy: -785.171963 where: bonds (distance) C4'-P energy: -141.115 bonds (distance) P-C4' energy: -181.143 flat angles C4'-P-C4' energy: -176.219 flat angles P-C4'-P energy: -115.713 tors. eta vs tors. theta energy: -170.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1866.223713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.223713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.223713 (E_RNA) where: Base-Base interactions energy: -1136.057 where: short stacking energy: -534.888 Base-Backbone interact. energy: -2.194 local terms energy: -727.972128 where: bonds (distance) C4'-P energy: -161.080 bonds (distance) P-C4' energy: -183.676 flat angles C4'-P-C4' energy: -174.059 flat angles P-C4'-P energy: -84.594 tors. eta vs tors. theta energy: -124.564 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: 8, replica: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1469.464617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.464617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.464617 (E_RNA) where: Base-Base interactions energy: -887.936 where: short stacking energy: -390.849 Base-Backbone interact. energy: 2.193 local terms energy: -583.722112 where: bonds (distance) C4'-P energy: -144.716 bonds (distance) P-C4' energy: -151.128 flat angles C4'-P-C4' energy: -136.645 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -64.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1005.656503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.656503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.656503 (E_RNA) where: Base-Base interactions energy: -510.800 where: short stacking energy: -287.623 Base-Backbone interact. energy: -0.790 local terms energy: -494.066634 where: bonds (distance) C4'-P energy: -123.957 bonds (distance) P-C4' energy: -169.058 flat angles C4'-P-C4' energy: -127.819 flat angles P-C4'-P energy: -67.525 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -774.040926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.040926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.040926 (E_RNA) where: Base-Base interactions energy: -329.589 where: short stacking energy: -225.561 Base-Backbone interact. energy: 9.170 local terms energy: -453.621780 where: bonds (distance) C4'-P energy: -127.642 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -134.657 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: 12.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3126.178015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.178015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.178015 (E_RNA) where: Base-Base interactions energy: -2142.273 where: short stacking energy: -957.734 Base-Backbone interact. energy: 1.644 local terms energy: -985.548697 where: bonds (distance) C4'-P energy: -173.341 bonds (distance) P-C4' energy: -180.914 flat angles C4'-P-C4' energy: -197.740 flat angles P-C4'-P energy: -149.093 tors. eta vs tors. theta energy: -284.461 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: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3041.227630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.227630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.227630 (E_RNA) where: Base-Base interactions energy: -2093.842 where: short stacking energy: -886.550 Base-Backbone interact. energy: 1.143 local terms energy: -948.528895 where: bonds (distance) C4'-P energy: -178.832 bonds (distance) P-C4' energy: -163.139 flat angles C4'-P-C4' energy: -194.729 flat angles P-C4'-P energy: -138.931 tors. eta vs tors. theta energy: -272.898 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: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2948.847687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.847687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.847687 (E_RNA) where: Base-Base interactions energy: -2043.397 where: short stacking energy: -887.733 Base-Backbone interact. energy: -1.096 local terms energy: -904.353898 where: bonds (distance) C4'-P energy: -150.784 bonds (distance) P-C4' energy: -162.795 flat angles C4'-P-C4' energy: -199.419 flat angles P-C4'-P energy: -133.008 tors. eta vs tors. theta energy: -258.348 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: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2698.411487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.411487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.411487 (E_RNA) where: Base-Base interactions energy: -1816.148 where: short stacking energy: -787.911 Base-Backbone interact. energy: -0.671 local terms energy: -881.591730 where: bonds (distance) C4'-P energy: -160.219 bonds (distance) P-C4' energy: -177.436 flat angles C4'-P-C4' energy: -197.348 flat angles P-C4'-P energy: -119.808 tors. eta vs tors. theta energy: -226.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2326.406745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.406745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.406745 (E_RNA) where: Base-Base interactions energy: -1550.668 where: short stacking energy: -685.570 Base-Backbone interact. energy: -1.555 local terms energy: -774.183497 where: bonds (distance) C4'-P energy: -161.200 bonds (distance) P-C4' energy: -141.669 flat angles C4'-P-C4' energy: -174.095 flat angles P-C4'-P energy: -121.310 tors. eta vs tors. theta energy: -175.911 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: 439 Temperature: 1.150000 Total energy: -2214.293950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.293950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.293950 (E_RNA) where: Base-Base interactions energy: -1452.248 where: short stacking energy: -630.328 Base-Backbone interact. energy: 5.396 local terms energy: -767.442012 where: bonds (distance) C4'-P energy: -141.842 bonds (distance) P-C4' energy: -175.198 flat angles C4'-P-C4' energy: -177.426 flat angles P-C4'-P energy: -101.417 tors. eta vs tors. theta energy: -171.559 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: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1774.178422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.178422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.178422 (E_RNA) where: Base-Base interactions energy: -1103.363 where: short stacking energy: -509.648 Base-Backbone interact. energy: -3.044 local terms energy: -667.771025 where: bonds (distance) C4'-P energy: -145.989 bonds (distance) P-C4' energy: -170.981 flat angles C4'-P-C4' energy: -137.547 flat angles P-C4'-P energy: -109.581 tors. eta vs tors. theta energy: -103.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1495.924633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.924633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.924633 (E_RNA) where: Base-Base interactions energy: -901.501 where: short stacking energy: -422.311 Base-Backbone interact. energy: 0.086 local terms energy: -594.509217 where: bonds (distance) C4'-P energy: -122.017 bonds (distance) P-C4' energy: -160.582 flat angles C4'-P-C4' energy: -158.954 flat angles P-C4'-P energy: -95.626 tors. eta vs tors. theta energy: -57.330 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: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1095.875422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.875422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.875422 (E_RNA) where: Base-Base interactions energy: -549.298 where: short stacking energy: -294.388 Base-Backbone interact. energy: -4.545 local terms energy: -542.032191 where: bonds (distance) C4'-P energy: -134.647 bonds (distance) P-C4' energy: -142.983 flat angles C4'-P-C4' energy: -149.631 flat angles P-C4'-P energy: -92.913 tors. eta vs tors. theta energy: -21.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -777.144683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.144683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.144683 (E_RNA) where: Base-Base interactions energy: -316.461 where: short stacking energy: -196.476 Base-Backbone interact. energy: 0.378 local terms energy: -461.062346 where: bonds (distance) C4'-P energy: -136.603 bonds (distance) P-C4' energy: -170.606 flat angles C4'-P-C4' energy: -117.413 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: 25.333 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: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3170.560727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.560727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.560727 (E_RNA) where: Base-Base interactions energy: -2173.627 where: short stacking energy: -949.290 Base-Backbone interact. energy: 0.274 local terms energy: -997.207871 where: bonds (distance) C4'-P energy: -176.820 bonds (distance) P-C4' energy: -171.002 flat angles C4'-P-C4' energy: -216.195 flat angles P-C4'-P energy: -153.596 tors. eta vs tors. theta energy: -279.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3075.141373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.141373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.141373 (E_RNA) where: Base-Base interactions energy: -2123.372 where: short stacking energy: -916.963 Base-Backbone interact. energy: -2.420 local terms energy: -949.349387 where: bonds (distance) C4'-P energy: -177.712 bonds (distance) P-C4' energy: -182.636 flat angles C4'-P-C4' energy: -199.257 flat angles P-C4'-P energy: -109.552 tors. eta vs tors. theta energy: -280.193 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: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2944.639709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.639709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.639709 (E_RNA) where: Base-Base interactions energy: -2014.788 where: short stacking energy: -862.505 Base-Backbone interact. energy: -3.823 local terms energy: -926.029222 where: bonds (distance) C4'-P energy: -171.077 bonds (distance) P-C4' energy: -182.665 flat angles C4'-P-C4' energy: -200.293 flat angles P-C4'-P energy: -131.986 tors. eta vs tors. theta energy: -240.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2610.202809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.202809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.202809 (E_RNA) where: Base-Base interactions energy: -1750.851 where: short stacking energy: -781.684 Base-Backbone interact. energy: 4.918 local terms energy: -864.270056 where: bonds (distance) C4'-P energy: -154.005 bonds (distance) P-C4' energy: -164.458 flat angles C4'-P-C4' energy: -191.124 flat angles P-C4'-P energy: -132.970 tors. eta vs tors. theta energy: -221.714 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: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2328.838263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.838263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.838263 (E_RNA) where: Base-Base interactions energy: -1543.906 where: short stacking energy: -730.804 Base-Backbone interact. energy: -3.598 local terms energy: -781.334157 where: bonds (distance) C4'-P energy: -141.016 bonds (distance) P-C4' energy: -149.274 flat angles C4'-P-C4' energy: -206.521 flat angles P-C4'-P energy: -82.765 tors. eta vs tors. theta energy: -201.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2212.513006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.513006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.513006 (E_RNA) where: Base-Base interactions energy: -1466.515 where: short stacking energy: -657.097 Base-Backbone interact. energy: -1.373 local terms energy: -744.624971 where: bonds (distance) C4'-P energy: -153.400 bonds (distance) P-C4' energy: -150.941 flat angles C4'-P-C4' energy: -168.086 flat angles P-C4'-P energy: -105.749 tors. eta vs tors. theta energy: -166.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1811.624327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.624327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.624327 (E_RNA) where: Base-Base interactions energy: -1130.159 where: short stacking energy: -504.014 Base-Backbone interact. energy: -3.513 local terms energy: -677.952099 where: bonds (distance) C4'-P energy: -142.202 bonds (distance) P-C4' energy: -158.256 flat angles C4'-P-C4' energy: -144.830 flat angles P-C4'-P energy: -102.536 tors. eta vs tors. theta energy: -130.128 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: 440 Temperature: 1.250000 Total energy: -1476.791792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.791792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.791792 (E_RNA) where: Base-Base interactions energy: -888.662 where: short stacking energy: -414.074 Base-Backbone interact. energy: -4.622 local terms energy: -583.508304 where: bonds (distance) C4'-P energy: -141.585 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -151.925 flat angles P-C4'-P energy: -81.062 tors. eta vs tors. theta energy: -63.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1053.311645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.311645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.311645 (E_RNA) where: Base-Base interactions energy: -516.653 where: short stacking energy: -269.072 Base-Backbone interact. energy: 1.095 local terms energy: -537.753908 where: bonds (distance) C4'-P energy: -157.461 bonds (distance) P-C4' energy: -165.489 flat angles C4'-P-C4' energy: -126.736 flat angles P-C4'-P energy: -75.789 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: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -761.502942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.502942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.502942 (E_RNA) where: Base-Base interactions energy: -297.427 where: short stacking energy: -201.474 Base-Backbone interact. energy: 3.685 local terms energy: -467.761116 where: bonds (distance) C4'-P energy: -156.309 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -128.308 flat angles P-C4'-P energy: -67.748 tors. eta vs tors. theta energy: 27.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3168.369024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.369024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.369024 (E_RNA) where: Base-Base interactions energy: -2165.902 where: short stacking energy: -926.615 Base-Backbone interact. energy: -6.224 local terms energy: -996.242765 where: bonds (distance) C4'-P energy: -167.696 bonds (distance) P-C4' energy: -181.134 flat angles C4'-P-C4' energy: -212.339 flat angles P-C4'-P energy: -151.386 tors. eta vs tors. theta energy: -283.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3070.584320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.584320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.584320 (E_RNA) where: Base-Base interactions energy: -2082.815 where: short stacking energy: -904.115 Base-Backbone interact. energy: -5.170 local terms energy: -982.599725 where: bonds (distance) C4'-P energy: -163.452 bonds (distance) P-C4' energy: -177.279 flat angles C4'-P-C4' energy: -216.393 flat angles P-C4'-P energy: -142.621 tors. eta vs tors. theta energy: -282.855 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: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2952.631138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.631138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.631138 (E_RNA) where: Base-Base interactions energy: -2011.109 where: short stacking energy: -849.443 Base-Backbone interact. energy: -2.018 local terms energy: -939.504544 where: bonds (distance) C4'-P energy: -170.094 bonds (distance) P-C4' energy: -172.417 flat angles C4'-P-C4' energy: -208.800 flat angles P-C4'-P energy: -136.204 tors. eta vs tors. theta energy: -251.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2631.773235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.773235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.773235 (E_RNA) where: Base-Base interactions energy: -1775.710 where: short stacking energy: -783.016 Base-Backbone interact. energy: 0.622 local terms energy: -856.685170 where: bonds (distance) C4'-P energy: -139.398 bonds (distance) P-C4' energy: -176.429 flat angles C4'-P-C4' energy: -200.637 flat angles P-C4'-P energy: -122.650 tors. eta vs tors. theta energy: -217.570 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: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2393.388457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.388457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.388457 (E_RNA) where: Base-Base interactions energy: -1540.482 where: short stacking energy: -695.309 Base-Backbone interact. energy: 1.813 local terms energy: -854.719297 where: bonds (distance) C4'-P energy: -173.329 bonds (distance) P-C4' energy: -196.030 flat angles C4'-P-C4' energy: -170.002 flat angles P-C4'-P energy: -114.989 tors. eta vs tors. theta energy: -200.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2274.903372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.903372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.903372 (E_RNA) where: Base-Base interactions energy: -1526.902 where: short stacking energy: -680.897 Base-Backbone interact. energy: -3.353 local terms energy: -744.648047 where: bonds (distance) C4'-P energy: -140.275 bonds (distance) P-C4' energy: -172.860 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -104.570 tors. eta vs tors. theta energy: -164.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1694.011799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.011799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.011799 (E_RNA) where: Base-Base interactions energy: -1036.903 where: short stacking energy: -476.033 Base-Backbone interact. energy: 0.257 local terms energy: -657.366198 where: bonds (distance) C4'-P energy: -153.433 bonds (distance) P-C4' energy: -175.583 flat angles C4'-P-C4' energy: -143.429 flat angles P-C4'-P energy: -92.106 tors. eta vs tors. theta energy: -92.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1489.293398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.293398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.293398 (E_RNA) where: Base-Base interactions energy: -905.693 where: short stacking energy: -430.203 Base-Backbone interact. energy: 1.619 local terms energy: -585.219131 where: bonds (distance) C4'-P energy: -156.166 bonds (distance) P-C4' energy: -157.470 flat angles C4'-P-C4' energy: -131.993 flat angles P-C4'-P energy: -100.689 tors. eta vs tors. theta energy: -38.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1095.391545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.391545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.391545 (E_RNA) where: Base-Base interactions energy: -582.652 where: short stacking energy: -285.003 Base-Backbone interact. energy: 3.581 local terms energy: -516.319958 where: bonds (distance) C4'-P energy: -138.327 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -145.705 flat angles P-C4'-P energy: -77.635 tors. eta vs tors. theta energy: 3.438 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -777.643505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.643505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.643505 (E_RNA) where: Base-Base interactions energy: -306.259 where: short stacking energy: -206.064 Base-Backbone interact. energy: -1.656 local terms energy: -469.729050 where: bonds (distance) C4'-P energy: -146.681 bonds (distance) P-C4' energy: -150.345 flat angles C4'-P-C4' energy: -116.795 flat angles P-C4'-P energy: -82.244 tors. eta vs tors. theta energy: 26.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3240.014386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.014386 (E_RNA) where: Base-Base interactions energy: -2206.997 where: short stacking energy: -964.177 Base-Backbone interact. energy: -4.920 local terms energy: -1028.097055 where: bonds (distance) C4'-P energy: -191.001 bonds (distance) P-C4' energy: -198.929 flat angles C4'-P-C4' energy: -214.832 flat angles P-C4'-P energy: -133.733 tors. eta vs tors. theta energy: -289.602 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: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3049.522003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.522003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.522003 (E_RNA) where: Base-Base interactions energy: -2099.939 where: short stacking energy: -897.012 Base-Backbone interact. energy: -5.456 local terms energy: -944.127247 where: bonds (distance) C4'-P energy: -160.177 bonds (distance) P-C4' energy: -171.968 flat angles C4'-P-C4' energy: -216.553 flat angles P-C4'-P energy: -118.526 tors. eta vs tors. theta energy: -276.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2948.792749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.792749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.792749 (E_RNA) where: Base-Base interactions energy: -2018.680 where: short stacking energy: -842.622 Base-Backbone interact. energy: -6.917 local terms energy: -923.196236 where: bonds (distance) C4'-P energy: -167.321 bonds (distance) P-C4' energy: -177.493 flat angles C4'-P-C4' energy: -211.284 flat angles P-C4'-P energy: -118.596 tors. eta vs tors. theta energy: -248.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2688.309574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.309574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.309574 (E_RNA) where: Base-Base interactions energy: -1813.435 where: short stacking energy: -796.286 Base-Backbone interact. energy: -0.113 local terms energy: -874.761697 where: bonds (distance) C4'-P energy: -180.373 bonds (distance) P-C4' energy: -151.277 flat angles C4'-P-C4' energy: -188.564 flat angles P-C4'-P energy: -122.709 tors. eta vs tors. theta energy: -231.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2376.771733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.771733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.771733 (E_RNA) where: Base-Base interactions energy: -1599.292 where: short stacking energy: -687.793 Base-Backbone interact. energy: 7.051 local terms energy: -784.530656 where: bonds (distance) C4'-P energy: -170.133 bonds (distance) P-C4' energy: -173.972 flat angles C4'-P-C4' energy: -176.434 flat angles P-C4'-P energy: -90.751 tors. eta vs tors. theta energy: -173.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2251.502354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.502354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.502354 (E_RNA) where: Base-Base interactions energy: -1473.920 where: short stacking energy: -636.735 Base-Backbone interact. energy: -5.394 local terms energy: -772.187915 where: bonds (distance) C4'-P energy: -169.511 bonds (distance) P-C4' energy: -159.970 flat angles C4'-P-C4' energy: -170.203 flat angles P-C4'-P energy: -119.973 tors. eta vs tors. theta energy: -152.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1708.630426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.630426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.630426 (E_RNA) where: Base-Base interactions energy: -1064.348 where: short stacking energy: -492.171 Base-Backbone interact. energy: 5.034 local terms energy: -649.316896 where: bonds (distance) C4'-P energy: -171.989 bonds (distance) P-C4' energy: -148.985 flat angles C4'-P-C4' energy: -140.825 flat angles P-C4'-P energy: -86.077 tors. eta vs tors. theta energy: -101.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1462.532720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.532720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.532720 (E_RNA) where: Base-Base interactions energy: -841.641 where: short stacking energy: -380.194 Base-Backbone interact. energy: -4.369 local terms energy: -616.522213 where: bonds (distance) C4'-P energy: -143.634 bonds (distance) P-C4' energy: -155.264 flat angles C4'-P-C4' energy: -156.778 flat angles P-C4'-P energy: -99.196 tors. eta vs tors. theta energy: -61.651 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: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1069.008054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.008054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.008054 (E_RNA) where: Base-Base interactions energy: -521.885 where: short stacking energy: -291.965 Base-Backbone interact. energy: 4.302 local terms energy: -551.425443 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -160.771 flat angles C4'-P-C4' energy: -130.447 flat angles P-C4'-P energy: -94.925 tors. eta vs tors. theta energy: -25.544 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: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -792.747210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.747210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.747210 (E_RNA) where: Base-Base interactions energy: -310.453 where: short stacking energy: -201.387 Base-Backbone interact. energy: 4.971 local terms energy: -487.265249 where: bonds (distance) C4'-P energy: -154.556 bonds (distance) P-C4' energy: -153.504 flat angles C4'-P-C4' energy: -129.352 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: 25.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3201.080132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.080132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.080132 (E_RNA) where: Base-Base interactions energy: -2191.809 where: short stacking energy: -939.225 Base-Backbone interact. energy: -3.883 local terms energy: -1005.388085 where: bonds (distance) C4'-P energy: -191.962 bonds (distance) P-C4' energy: -193.475 flat angles C4'-P-C4' energy: -204.988 flat angles P-C4'-P energy: -127.411 tors. eta vs tors. theta energy: -287.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3044.728430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.728430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.728430 (E_RNA) where: Base-Base interactions energy: -2065.442 where: short stacking energy: -894.008 Base-Backbone interact. energy: -5.096 local terms energy: -974.190911 where: bonds (distance) C4'-P energy: -174.258 bonds (distance) P-C4' energy: -183.712 flat angles C4'-P-C4' energy: -214.366 flat angles P-C4'-P energy: -125.638 tors. eta vs tors. theta energy: -276.217 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: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2961.961158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.961158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.961158 (E_RNA) where: Base-Base interactions energy: -2046.316 where: short stacking energy: -864.351 Base-Backbone interact. energy: -0.955 local terms energy: -914.690673 where: bonds (distance) C4'-P energy: -154.382 bonds (distance) P-C4' energy: -174.088 flat angles C4'-P-C4' energy: -198.264 flat angles P-C4'-P energy: -135.060 tors. eta vs tors. theta energy: -252.896 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: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2636.667660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.667660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.667660 (E_RNA) where: Base-Base interactions energy: -1761.332 where: short stacking energy: -773.179 Base-Backbone interact. energy: -0.436 local terms energy: -874.899618 where: bonds (distance) C4'-P energy: -163.653 bonds (distance) P-C4' energy: -181.075 flat angles C4'-P-C4' energy: -186.582 flat angles P-C4'-P energy: -124.251 tors. eta vs tors. theta energy: -219.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2371.654781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.654781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.654781 (E_RNA) where: Base-Base interactions energy: -1543.725 where: short stacking energy: -666.622 Base-Backbone interact. energy: -4.647 local terms energy: -823.282630 where: bonds (distance) C4'-P energy: -145.692 bonds (distance) P-C4' energy: -184.954 flat angles C4'-P-C4' energy: -191.022 flat angles P-C4'-P energy: -118.883 tors. eta vs tors. theta energy: -182.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2221.174132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.174132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.174132 (E_RNA) where: Base-Base interactions energy: -1453.665 where: short stacking energy: -614.731 Base-Backbone interact. energy: 4.426 local terms energy: -771.935277 where: bonds (distance) C4'-P energy: -165.255 bonds (distance) P-C4' energy: -165.636 flat angles C4'-P-C4' energy: -169.248 flat angles P-C4'-P energy: -103.553 tors. eta vs tors. theta energy: -168.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1706.607161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.607161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.607161 (E_RNA) where: Base-Base interactions energy: -1035.522 where: short stacking energy: -456.233 Base-Backbone interact. energy: -0.995 local terms energy: -670.090686 where: bonds (distance) C4'-P energy: -156.956 bonds (distance) P-C4' energy: -175.249 flat angles C4'-P-C4' energy: -151.125 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -84.591 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: 443 Temperature: 1.250000 Total energy: -1426.190245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.190245 (E_RNA) where: Base-Base interactions energy: -871.858 where: short stacking energy: -418.843 Base-Backbone interact. energy: -1.444 local terms energy: -552.888051 where: bonds (distance) C4'-P energy: -123.853 bonds (distance) P-C4' energy: -148.277 flat angles C4'-P-C4' energy: -133.582 flat angles P-C4'-P energy: -75.363 tors. eta vs tors. theta energy: -71.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1035.247677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.247677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.247677 (E_RNA) where: Base-Base interactions energy: -550.588 where: short stacking energy: -304.528 Base-Backbone interact. energy: 2.469 local terms energy: -487.128014 where: bonds (distance) C4'-P energy: -135.502 bonds (distance) P-C4' energy: -157.895 flat angles C4'-P-C4' energy: -121.602 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -0.728 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: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -747.574001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.574001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.574001 (E_RNA) where: Base-Base interactions energy: -300.757 where: short stacking energy: -178.472 Base-Backbone interact. energy: 0.052 local terms energy: -446.868983 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -168.141 flat angles C4'-P-C4' energy: -125.925 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: 41.540 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: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3201.394520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.394520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.394520 (E_RNA) where: Base-Base interactions energy: -2191.284 where: short stacking energy: -953.692 Base-Backbone interact. energy: -5.103 local terms energy: -1005.007138 where: bonds (distance) C4'-P energy: -191.367 bonds (distance) P-C4' energy: -175.690 flat angles C4'-P-C4' energy: -212.060 flat angles P-C4'-P energy: -141.473 tors. eta vs tors. theta energy: -284.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3078.884697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.884697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.884697 (E_RNA) where: Base-Base interactions energy: -2092.559 where: short stacking energy: -902.495 Base-Backbone interact. energy: -1.513 local terms energy: -984.812351 where: bonds (distance) C4'-P energy: -177.938 bonds (distance) P-C4' energy: -189.079 flat angles C4'-P-C4' energy: -211.939 flat angles P-C4'-P energy: -135.196 tors. eta vs tors. theta energy: -270.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2928.232717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.232717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.232717 (E_RNA) where: Base-Base interactions energy: -2009.250 where: short stacking energy: -854.704 Base-Backbone interact. energy: -3.409 local terms energy: -915.573805 where: bonds (distance) C4'-P energy: -161.597 bonds (distance) P-C4' energy: -181.396 flat angles C4'-P-C4' energy: -190.440 flat angles P-C4'-P energy: -118.028 tors. eta vs tors. theta energy: -264.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2624.175180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.175180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.175180 (E_RNA) where: Base-Base interactions energy: -1765.343 where: short stacking energy: -770.982 Base-Backbone interact. energy: -4.032 local terms energy: -854.799434 where: bonds (distance) C4'-P energy: -171.806 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -181.291 flat angles P-C4'-P energy: -127.474 tors. eta vs tors. theta energy: -218.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2319.654777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.654777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.654777 (E_RNA) where: Base-Base interactions energy: -1518.427 where: short stacking energy: -683.277 Base-Backbone interact. energy: -2.125 local terms energy: -799.102193 where: bonds (distance) C4'-P energy: -164.426 bonds (distance) P-C4' energy: -159.462 flat angles C4'-P-C4' energy: -183.969 flat angles P-C4'-P energy: -106.404 tors. eta vs tors. theta energy: -184.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2276.270686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.270686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.270686 (E_RNA) where: Base-Base interactions energy: -1527.703 where: short stacking energy: -642.323 Base-Backbone interact. energy: -3.321 local terms energy: -745.246986 where: bonds (distance) C4'-P energy: -153.071 bonds (distance) P-C4' energy: -156.026 flat angles C4'-P-C4' energy: -164.723 flat angles P-C4'-P energy: -121.784 tors. eta vs tors. theta energy: -149.643 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: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1630.650490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.650490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.650490 (E_RNA) where: Base-Base interactions energy: -990.953 where: short stacking energy: -430.276 Base-Backbone interact. energy: -0.658 local terms energy: -639.039446 where: bonds (distance) C4'-P energy: -154.463 bonds (distance) P-C4' energy: -158.867 flat angles C4'-P-C4' energy: -160.244 flat angles P-C4'-P energy: -92.654 tors. eta vs tors. theta energy: -72.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1393.086034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.086034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.086034 (E_RNA) where: Base-Base interactions energy: -815.818 where: short stacking energy: -425.117 Base-Backbone interact. energy: -2.814 local terms energy: -574.453781 where: bonds (distance) C4'-P energy: -150.591 bonds (distance) P-C4' energy: -139.508 flat angles C4'-P-C4' energy: -141.427 flat angles P-C4'-P energy: -71.267 tors. eta vs tors. theta energy: -71.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1112.398604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.398604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.398604 (E_RNA) where: Base-Base interactions energy: -567.123 where: short stacking energy: -329.277 Base-Backbone interact. energy: 0.136 local terms energy: -545.412038 where: bonds (distance) C4'-P energy: -122.540 bonds (distance) P-C4' energy: -168.169 flat angles C4'-P-C4' energy: -138.483 flat angles P-C4'-P energy: -83.879 tors. eta vs tors. theta energy: -32.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -822.322488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.322488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.322488 (E_RNA) where: Base-Base interactions energy: -359.466 where: short stacking energy: -220.977 Base-Backbone interact. energy: 1.869 local terms energy: -464.726107 where: bonds (distance) C4'-P energy: -126.648 bonds (distance) P-C4' energy: -158.613 flat angles C4'-P-C4' energy: -109.107 flat angles P-C4'-P energy: -71.140 tors. eta vs tors. theta energy: 0.783 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: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3188.048451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.048451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.048451 (E_RNA) where: Base-Base interactions energy: -2181.936 where: short stacking energy: -947.984 Base-Backbone interact. energy: -1.295 local terms energy: -1004.817748 where: bonds (distance) C4'-P energy: -182.007 bonds (distance) P-C4' energy: -191.644 flat angles C4'-P-C4' energy: -204.407 flat angles P-C4'-P energy: -141.862 tors. eta vs tors. theta energy: -284.898 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: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3076.621505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.621505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.621505 (E_RNA) where: Base-Base interactions energy: -2071.598 where: short stacking energy: -920.334 Base-Backbone interact. energy: -3.111 local terms energy: -1001.912275 where: bonds (distance) C4'-P energy: -183.324 bonds (distance) P-C4' energy: -188.164 flat angles C4'-P-C4' energy: -204.606 flat angles P-C4'-P energy: -151.470 tors. eta vs tors. theta energy: -274.349 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: 445 Temperature: 1.000000 Total energy: -2977.858135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.858135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.858135 (E_RNA) where: Base-Base interactions energy: -2080.849 where: short stacking energy: -874.667 Base-Backbone interact. energy: 0.987 local terms energy: -897.996342 where: bonds (distance) C4'-P energy: -173.598 bonds (distance) P-C4' energy: -186.460 flat angles C4'-P-C4' energy: -193.072 flat angles P-C4'-P energy: -94.569 tors. eta vs tors. theta energy: -250.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2677.305404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.305404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.305404 (E_RNA) where: Base-Base interactions energy: -1794.929 where: short stacking energy: -779.263 Base-Backbone interact. energy: -0.918 local terms energy: -881.459018 where: bonds (distance) C4'-P energy: -150.011 bonds (distance) P-C4' energy: -179.366 flat angles C4'-P-C4' energy: -189.540 flat angles P-C4'-P energy: -112.405 tors. eta vs tors. theta energy: -250.137 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: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2290.016336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.016336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.016336 (E_RNA) where: Base-Base interactions energy: -1510.489 where: short stacking energy: -693.693 Base-Backbone interact. energy: -3.637 local terms energy: -775.890670 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -157.854 flat angles C4'-P-C4' energy: -188.227 flat angles P-C4'-P energy: -109.040 tors. eta vs tors. theta energy: -179.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2254.180600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.180600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.180600 (E_RNA) where: Base-Base interactions energy: -1468.332 where: short stacking energy: -649.727 Base-Backbone interact. energy: 0.426 local terms energy: -786.274316 where: bonds (distance) C4'-P energy: -163.645 bonds (distance) P-C4' energy: -144.869 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -116.780 tors. eta vs tors. theta energy: -183.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1687.105608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.105608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.105608 (E_RNA) where: Base-Base interactions energy: -1041.084 where: short stacking energy: -493.064 Base-Backbone interact. energy: 0.982 local terms energy: -647.003082 where: bonds (distance) C4'-P energy: -175.110 bonds (distance) P-C4' energy: -151.829 flat angles C4'-P-C4' energy: -138.966 flat angles P-C4'-P energy: -89.443 tors. eta vs tors. theta energy: -91.656 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: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1402.650992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.650992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.650992 (E_RNA) where: Base-Base interactions energy: -808.523 where: short stacking energy: -380.385 Base-Backbone interact. energy: -1.327 local terms energy: -592.800635 where: bonds (distance) C4'-P energy: -156.917 bonds (distance) P-C4' energy: -153.756 flat angles C4'-P-C4' energy: -124.991 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -45.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1125.615109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.615109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.615109 (E_RNA) where: Base-Base interactions energy: -564.825 where: short stacking energy: -305.883 Base-Backbone interact. energy: 0.723 local terms energy: -561.513142 where: bonds (distance) C4'-P energy: -137.304 bonds (distance) P-C4' energy: -176.825 flat angles C4'-P-C4' energy: -145.177 flat angles P-C4'-P energy: -65.023 tors. eta vs tors. theta energy: -37.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -782.119350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.119350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.119350 (E_RNA) where: Base-Base interactions energy: -322.067 where: short stacking energy: -191.406 Base-Backbone interact. energy: 0.523 local terms energy: -460.575005 where: bonds (distance) C4'-P energy: -139.919 bonds (distance) P-C4' energy: -149.861 flat angles C4'-P-C4' energy: -120.851 flat angles P-C4'-P energy: -89.514 tors. eta vs tors. theta energy: 39.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3197.793574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.793574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.793574 (E_RNA) where: Base-Base interactions energy: -2181.708 where: short stacking energy: -946.329 Base-Backbone interact. energy: -3.004 local terms energy: -1013.081579 where: bonds (distance) C4'-P energy: -189.049 bonds (distance) P-C4' energy: -185.088 flat angles C4'-P-C4' energy: -209.561 flat angles P-C4'-P energy: -137.282 tors. eta vs tors. theta energy: -292.101 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: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3021.112686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.112686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.112686 (E_RNA) where: Base-Base interactions energy: -2049.185 where: short stacking energy: -884.557 Base-Backbone interact. energy: -4.854 local terms energy: -967.074110 where: bonds (distance) C4'-P energy: -179.351 bonds (distance) P-C4' energy: -188.492 flat angles C4'-P-C4' energy: -203.292 flat angles P-C4'-P energy: -126.693 tors. eta vs tors. theta energy: -269.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2922.647653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.647653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.647653 (E_RNA) where: Base-Base interactions energy: -2010.081 where: short stacking energy: -835.740 Base-Backbone interact. energy: -2.753 local terms energy: -909.813429 where: bonds (distance) C4'-P energy: -158.206 bonds (distance) P-C4' energy: -196.062 flat angles C4'-P-C4' energy: -188.435 flat angles P-C4'-P energy: -130.787 tors. eta vs tors. theta energy: -236.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2665.074217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.074217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.074217 (E_RNA) where: Base-Base interactions energy: -1799.214 where: short stacking energy: -780.920 Base-Backbone interact. energy: -2.862 local terms energy: -862.998344 where: bonds (distance) C4'-P energy: -175.941 bonds (distance) P-C4' energy: -155.083 flat angles C4'-P-C4' energy: -183.216 flat angles P-C4'-P energy: -118.333 tors. eta vs tors. theta energy: -230.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2367.005355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.005355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.005355 (E_RNA) where: Base-Base interactions energy: -1530.740 where: short stacking energy: -715.723 Base-Backbone interact. energy: -1.767 local terms energy: -834.497947 where: bonds (distance) C4'-P energy: -161.460 bonds (distance) P-C4' energy: -157.698 flat angles C4'-P-C4' energy: -187.630 flat angles P-C4'-P energy: -124.122 tors. eta vs tors. theta energy: -203.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2252.430445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.430445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.430445 (E_RNA) where: Base-Base interactions energy: -1471.604 where: short stacking energy: -645.498 Base-Backbone interact. energy: 0.118 local terms energy: -780.944902 where: bonds (distance) C4'-P energy: -170.196 bonds (distance) P-C4' energy: -140.725 flat angles C4'-P-C4' energy: -178.001 flat angles P-C4'-P energy: -117.112 tors. eta vs tors. theta energy: -174.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1700.851020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.851020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.851020 (E_RNA) where: Base-Base interactions energy: -1038.296 where: short stacking energy: -471.244 Base-Backbone interact. energy: 1.853 local terms energy: -664.407985 where: bonds (distance) C4'-P energy: -162.925 bonds (distance) P-C4' energy: -163.889 flat angles C4'-P-C4' energy: -150.901 flat angles P-C4'-P energy: -87.845 tors. eta vs tors. theta energy: -98.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1445.609302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.609302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.609302 (E_RNA) where: Base-Base interactions energy: -893.668 where: short stacking energy: -382.547 Base-Backbone interact. energy: -0.383 local terms energy: -551.558450 where: bonds (distance) C4'-P energy: -139.508 bonds (distance) P-C4' energy: -144.414 flat angles C4'-P-C4' energy: -135.649 flat angles P-C4'-P energy: -86.273 tors. eta vs tors. theta energy: -45.714 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: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1108.689860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.689860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.689860 (E_RNA) where: Base-Base interactions energy: -602.915 where: short stacking energy: -321.420 Base-Backbone interact. energy: 0.856 local terms energy: -506.630867 where: bonds (distance) C4'-P energy: -138.547 bonds (distance) P-C4' energy: -146.031 flat angles C4'-P-C4' energy: -116.821 flat angles P-C4'-P energy: -82.613 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: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -768.517102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.517102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.517102 (E_RNA) where: Base-Base interactions energy: -330.548 where: short stacking energy: -242.184 Base-Backbone interact. energy: 4.631 local terms energy: -442.600012 where: bonds (distance) C4'-P energy: -141.328 bonds (distance) P-C4' energy: -136.458 flat angles C4'-P-C4' energy: -126.227 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: 25.222 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: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3211.558690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.558690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.558690 (E_RNA) where: Base-Base interactions energy: -2192.651 where: short stacking energy: -955.488 Base-Backbone interact. energy: -5.085 local terms energy: -1013.823347 where: bonds (distance) C4'-P energy: -192.453 bonds (distance) P-C4' energy: -190.181 flat angles C4'-P-C4' energy: -203.768 flat angles P-C4'-P energy: -135.167 tors. eta vs tors. theta energy: -292.254 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: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3036.055999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.055999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.055999 (E_RNA) where: Base-Base interactions energy: -2064.207 where: short stacking energy: -911.405 Base-Backbone interact. energy: -0.847 local terms energy: -971.001617 where: bonds (distance) C4'-P energy: -191.310 bonds (distance) P-C4' energy: -178.523 flat angles C4'-P-C4' energy: -197.282 flat angles P-C4'-P energy: -144.075 tors. eta vs tors. theta energy: -259.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2943.953364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.953364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.953364 (E_RNA) where: Base-Base interactions energy: -2047.418 where: short stacking energy: -880.871 Base-Backbone interact. energy: -1.387 local terms energy: -895.148374 where: bonds (distance) C4'-P energy: -174.121 bonds (distance) P-C4' energy: -156.413 flat angles C4'-P-C4' energy: -199.470 flat angles P-C4'-P energy: -123.012 tors. eta vs tors. theta energy: -242.132 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: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2668.471815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.471815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.471815 (E_RNA) where: Base-Base interactions energy: -1833.717 where: short stacking energy: -819.449 Base-Backbone interact. energy: -1.198 local terms energy: -833.556652 where: bonds (distance) C4'-P energy: -164.928 bonds (distance) P-C4' energy: -166.310 flat angles C4'-P-C4' energy: -177.469 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: -232.284 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: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2331.839385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.839385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.839385 (E_RNA) where: Base-Base interactions energy: -1495.380 where: short stacking energy: -685.659 Base-Backbone interact. energy: 3.922 local terms energy: -840.381119 where: bonds (distance) C4'-P energy: -169.734 bonds (distance) P-C4' energy: -172.750 flat angles C4'-P-C4' energy: -185.961 flat angles P-C4'-P energy: -130.053 tors. eta vs tors. theta energy: -181.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2238.309565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.309565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.309565 (E_RNA) where: Base-Base interactions energy: -1466.162 where: short stacking energy: -658.095 Base-Backbone interact. energy: 0.588 local terms energy: -772.736284 where: bonds (distance) C4'-P energy: -141.211 bonds (distance) P-C4' energy: -177.308 flat angles C4'-P-C4' energy: -173.926 flat angles P-C4'-P energy: -106.532 tors. eta vs tors. theta energy: -173.760 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: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1661.029399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.029399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.029399 (E_RNA) where: Base-Base interactions energy: -977.548 where: short stacking energy: -447.095 Base-Backbone interact. energy: 0.406 local terms energy: -683.887032 where: bonds (distance) C4'-P energy: -180.989 bonds (distance) P-C4' energy: -158.130 flat angles C4'-P-C4' energy: -159.483 flat angles P-C4'-P energy: -95.372 tors. eta vs tors. theta energy: -89.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1507.426227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.426227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.426227 (E_RNA) where: Base-Base interactions energy: -910.622 where: short stacking energy: -434.407 Base-Backbone interact. energy: -5.650 local terms energy: -591.153587 where: bonds (distance) C4'-P energy: -139.801 bonds (distance) P-C4' energy: -160.881 flat angles C4'-P-C4' energy: -145.766 flat angles P-C4'-P energy: -79.551 tors. eta vs tors. theta energy: -65.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1141.346141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.346141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.346141 (E_RNA) where: Base-Base interactions energy: -575.919 where: short stacking energy: -284.792 Base-Backbone interact. energy: 1.659 local terms energy: -567.086428 where: bonds (distance) C4'-P energy: -177.231 bonds (distance) P-C4' energy: -147.292 flat angles C4'-P-C4' energy: -154.335 flat angles P-C4'-P energy: -86.357 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -741.268342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.268342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.268342 (E_RNA) where: Base-Base interactions energy: -326.584 where: short stacking energy: -216.037 Base-Backbone interact. energy: -1.804 local terms energy: -412.880484 where: bonds (distance) C4'-P energy: -146.776 bonds (distance) P-C4' energy: -148.862 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -56.697 tors. eta vs tors. theta energy: 27.538 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: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3206.712533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.712533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.712533 (E_RNA) where: Base-Base interactions energy: -2205.615 where: short stacking energy: -952.523 Base-Backbone interact. energy: -2.174 local terms energy: -998.923045 where: bonds (distance) C4'-P energy: -181.032 bonds (distance) P-C4' energy: -175.960 flat angles C4'-P-C4' energy: -204.582 flat angles P-C4'-P energy: -143.309 tors. eta vs tors. theta energy: -294.040 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: 7 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3081.265478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.265478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.265478 (E_RNA) where: Base-Base interactions energy: -2097.038 where: short stacking energy: -892.245 Base-Backbone interact. energy: -5.221 local terms energy: -979.006131 where: bonds (distance) C4'-P energy: -166.980 bonds (distance) P-C4' energy: -189.343 flat angles C4'-P-C4' energy: -217.009 flat angles P-C4'-P energy: -142.380 tors. eta vs tors. theta energy: -263.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2943.913454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.913454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.913454 (E_RNA) where: Base-Base interactions energy: -2032.172 where: short stacking energy: -876.700 Base-Backbone interact. energy: -2.084 local terms energy: -909.657184 where: bonds (distance) C4'-P energy: -177.683 bonds (distance) P-C4' energy: -156.326 flat angles C4'-P-C4' energy: -192.946 flat angles P-C4'-P energy: -123.641 tors. eta vs tors. theta energy: -259.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2712.973129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.973129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.973129 (E_RNA) where: Base-Base interactions energy: -1808.365 where: short stacking energy: -805.391 Base-Backbone interact. energy: -1.721 local terms energy: -902.887435 where: bonds (distance) C4'-P energy: -168.434 bonds (distance) P-C4' energy: -163.619 flat angles C4'-P-C4' energy: -199.790 flat angles P-C4'-P energy: -127.431 tors. eta vs tors. theta energy: -243.613 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: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2388.688754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.688754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.688754 (E_RNA) where: Base-Base interactions energy: -1563.556 where: short stacking energy: -699.490 Base-Backbone interact. energy: -0.438 local terms energy: -824.694876 where: bonds (distance) C4'-P energy: -143.152 bonds (distance) P-C4' energy: -162.386 flat angles C4'-P-C4' energy: -188.920 flat angles P-C4'-P energy: -121.371 tors. eta vs tors. theta energy: -208.866 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: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2288.375472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.375472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.375472 (E_RNA) where: Base-Base interactions energy: -1526.742 where: short stacking energy: -688.571 Base-Backbone interact. energy: -2.575 local terms energy: -759.057698 where: bonds (distance) C4'-P energy: -151.182 bonds (distance) P-C4' energy: -148.200 flat angles C4'-P-C4' energy: -174.714 flat angles P-C4'-P energy: -109.473 tors. eta vs tors. theta energy: -175.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1745.276232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.276232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.276232 (E_RNA) where: Base-Base interactions energy: -1076.606 where: short stacking energy: -490.412 Base-Backbone interact. energy: -0.300 local terms energy: -668.369673 where: bonds (distance) C4'-P energy: -143.759 bonds (distance) P-C4' energy: -153.109 flat angles C4'-P-C4' energy: -148.256 flat angles P-C4'-P energy: -118.459 tors. eta vs tors. theta energy: -104.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1481.364202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.364202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.364202 (E_RNA) where: Base-Base interactions energy: -891.341 where: short stacking energy: -411.740 Base-Backbone interact. energy: -2.474 local terms energy: -587.549023 where: bonds (distance) C4'-P energy: -162.982 bonds (distance) P-C4' energy: -171.974 flat angles C4'-P-C4' energy: -144.018 flat angles P-C4'-P energy: -56.467 tors. eta vs tors. theta energy: -52.109 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: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1099.147972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.147972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.147972 (E_RNA) where: Base-Base interactions energy: -581.668 where: short stacking energy: -269.201 Base-Backbone interact. energy: -1.077 local terms energy: -516.402279 where: bonds (distance) C4'-P energy: -129.942 bonds (distance) P-C4' energy: -151.390 flat angles C4'-P-C4' energy: -108.142 flat angles P-C4'-P energy: -113.603 tors. eta vs tors. theta energy: -13.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -767.589663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.589663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.589663 (E_RNA) where: Base-Base interactions energy: -316.121 where: short stacking energy: -221.643 Base-Backbone interact. energy: -0.357 local terms energy: -451.111372 where: bonds (distance) C4'-P energy: -146.847 bonds (distance) P-C4' energy: -150.258 flat angles C4'-P-C4' energy: -101.977 flat angles P-C4'-P energy: -64.321 tors. eta vs tors. theta energy: 12.292 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: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3199.256012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.256012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.256012 (E_RNA) where: Base-Base interactions energy: -2205.493 where: short stacking energy: -948.444 Base-Backbone interact. energy: -3.664 local terms energy: -990.099326 where: bonds (distance) C4'-P energy: -185.877 bonds (distance) P-C4' energy: -188.224 flat angles C4'-P-C4' energy: -206.696 flat angles P-C4'-P energy: -138.750 tors. eta vs tors. theta energy: -270.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3095.178462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.178462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.178462 (E_RNA) where: Base-Base interactions energy: -2096.994 where: short stacking energy: -914.411 Base-Backbone interact. energy: -4.129 local terms energy: -994.055575 where: bonds (distance) C4'-P energy: -184.788 bonds (distance) P-C4' energy: -192.264 flat angles C4'-P-C4' energy: -210.557 flat angles P-C4'-P energy: -130.452 tors. eta vs tors. theta energy: -275.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2944.166942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.166942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.166942 (E_RNA) where: Base-Base interactions energy: -2020.122 where: short stacking energy: -842.872 Base-Backbone interact. energy: 0.145 local terms energy: -924.189814 where: bonds (distance) C4'-P energy: -160.718 bonds (distance) P-C4' energy: -169.345 flat angles C4'-P-C4' energy: -209.516 flat angles P-C4'-P energy: -138.891 tors. eta vs tors. theta energy: -245.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2718.042402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.042402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.042402 (E_RNA) where: Base-Base interactions energy: -1869.307 where: short stacking energy: -845.427 Base-Backbone interact. energy: -3.954 local terms energy: -844.781684 where: bonds (distance) C4'-P energy: -153.862 bonds (distance) P-C4' energy: -148.158 flat angles C4'-P-C4' energy: -183.053 flat angles P-C4'-P energy: -107.737 tors. eta vs tors. theta energy: -251.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2384.706060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.706060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.706060 (E_RNA) where: Base-Base interactions energy: -1544.480 where: short stacking energy: -703.712 Base-Backbone interact. energy: -3.159 local terms energy: -837.067880 where: bonds (distance) C4'-P energy: -161.733 bonds (distance) P-C4' energy: -151.786 flat angles C4'-P-C4' energy: -195.080 flat angles P-C4'-P energy: -133.032 tors. eta vs tors. theta energy: -195.437 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: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2310.664720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.664720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.664720 (E_RNA) where: Base-Base interactions energy: -1541.516 where: short stacking energy: -667.147 Base-Backbone interact. energy: 1.175 local terms energy: -770.324295 where: bonds (distance) C4'-P energy: -143.588 bonds (distance) P-C4' energy: -167.003 flat angles C4'-P-C4' energy: -186.804 flat angles P-C4'-P energy: -95.632 tors. eta vs tors. theta energy: -177.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1731.206217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.206217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.206217 (E_RNA) where: Base-Base interactions energy: -1072.421 where: short stacking energy: -492.720 Base-Backbone interact. energy: 5.280 local terms energy: -664.065907 where: bonds (distance) C4'-P energy: -166.509 bonds (distance) P-C4' energy: -144.310 flat angles C4'-P-C4' energy: -163.233 flat angles P-C4'-P energy: -94.997 tors. eta vs tors. theta energy: -95.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1491.320874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.320874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.320874 (E_RNA) where: Base-Base interactions energy: -872.401 where: short stacking energy: -421.599 Base-Backbone interact. energy: -3.970 local terms energy: -614.949778 where: bonds (distance) C4'-P energy: -140.327 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -159.807 flat angles P-C4'-P energy: -112.582 tors. eta vs tors. theta energy: -65.934 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: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1030.365264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.365264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.365264 (E_RNA) where: Base-Base interactions energy: -508.504 where: short stacking energy: -266.425 Base-Backbone interact. energy: 2.379 local terms energy: -524.240172 where: bonds (distance) C4'-P energy: -168.153 bonds (distance) P-C4' energy: -158.592 flat angles C4'-P-C4' energy: -112.707 flat angles P-C4'-P energy: -91.833 tors. eta vs tors. theta energy: 7.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -759.559312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.559312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.559312 (E_RNA) where: Base-Base interactions energy: -308.126 where: short stacking energy: -214.902 Base-Backbone interact. energy: 7.679 local terms energy: -459.112215 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -157.781 flat angles C4'-P-C4' energy: -122.077 flat angles P-C4'-P energy: -87.071 tors. eta vs tors. theta energy: 35.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3183.559363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.559363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.559363 (E_RNA) where: Base-Base interactions energy: -2223.465 where: short stacking energy: -956.989 Base-Backbone interact. energy: 2.079 local terms energy: -962.174063 where: bonds (distance) C4'-P energy: -174.846 bonds (distance) P-C4' energy: -177.376 flat angles C4'-P-C4' energy: -207.978 flat angles P-C4'-P energy: -137.499 tors. eta vs tors. theta energy: -264.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3095.823331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.823331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.823331 (E_RNA) where: Base-Base interactions energy: -2110.284 where: short stacking energy: -886.284 Base-Backbone interact. energy: 2.582 local terms energy: -988.120891 where: bonds (distance) C4'-P energy: -189.742 bonds (distance) P-C4' energy: -177.963 flat angles C4'-P-C4' energy: -222.946 flat angles P-C4'-P energy: -135.029 tors. eta vs tors. theta energy: -262.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2935.946137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.946137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.946137 (E_RNA) where: Base-Base interactions energy: -1986.385 where: short stacking energy: -862.192 Base-Backbone interact. energy: -4.532 local terms energy: -945.029437 where: bonds (distance) C4'-P energy: -164.319 bonds (distance) P-C4' energy: -176.093 flat angles C4'-P-C4' energy: -211.840 flat angles P-C4'-P energy: -138.865 tors. eta vs tors. theta energy: -253.913 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: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2688.086571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.086571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.086571 (E_RNA) where: Base-Base interactions energy: -1817.382 where: short stacking energy: -796.475 Base-Backbone interact. energy: 0.573 local terms energy: -871.278065 where: bonds (distance) C4'-P energy: -158.891 bonds (distance) P-C4' energy: -165.475 flat angles C4'-P-C4' energy: -189.471 flat angles P-C4'-P energy: -119.256 tors. eta vs tors. theta energy: -238.185 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: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2373.400577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.400577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.400577 (E_RNA) where: Base-Base interactions energy: -1550.073 where: short stacking energy: -710.412 Base-Backbone interact. energy: -0.515 local terms energy: -822.812950 where: bonds (distance) C4'-P energy: -169.510 bonds (distance) P-C4' energy: -181.622 flat angles C4'-P-C4' energy: -171.127 flat angles P-C4'-P energy: -102.082 tors. eta vs tors. theta energy: -198.472 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: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2319.435982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.435982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.435982 (E_RNA) where: Base-Base interactions energy: -1542.971 where: short stacking energy: -660.583 Base-Backbone interact. energy: -3.240 local terms energy: -773.225440 where: bonds (distance) C4'-P energy: -149.336 bonds (distance) P-C4' energy: -167.559 flat angles C4'-P-C4' energy: -156.262 flat angles P-C4'-P energy: -115.735 tors. eta vs tors. theta energy: -184.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1760.669529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.669529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.669529 (E_RNA) where: Base-Base interactions energy: -1096.445 where: short stacking energy: -506.982 Base-Backbone interact. energy: 2.840 local terms energy: -667.064437 where: bonds (distance) C4'-P energy: -157.741 bonds (distance) P-C4' energy: -172.623 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -101.287 tors. eta vs tors. theta energy: -99.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1461.937817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.937817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.937817 (E_RNA) where: Base-Base interactions energy: -895.496 where: short stacking energy: -382.342 Base-Backbone interact. energy: 1.369 local terms energy: -567.811558 where: bonds (distance) C4'-P energy: -126.031 bonds (distance) P-C4' energy: -164.547 flat angles C4'-P-C4' energy: -151.884 flat angles P-C4'-P energy: -73.064 tors. eta vs tors. theta energy: -52.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1014.274875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.274875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.274875 (E_RNA) where: Base-Base interactions energy: -482.637 where: short stacking energy: -277.522 Base-Backbone interact. energy: 1.303 local terms energy: -532.940827 where: bonds (distance) C4'-P energy: -154.739 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -3.647 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: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -757.029452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.029452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.029452 (E_RNA) where: Base-Base interactions energy: -337.719 where: short stacking energy: -213.086 Base-Backbone interact. energy: 2.144 local terms energy: -421.454613 where: bonds (distance) C4'-P energy: -125.647 bonds (distance) P-C4' energy: -151.999 flat angles C4'-P-C4' energy: -110.646 flat angles P-C4'-P energy: -79.594 tors. eta vs tors. theta energy: 46.431 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: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3170.095175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.095175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.095175 (E_RNA) where: Base-Base interactions energy: -2179.446 where: short stacking energy: -947.567 Base-Backbone interact. energy: -3.715 local terms energy: -986.934133 where: bonds (distance) C4'-P energy: -181.464 bonds (distance) P-C4' energy: -186.313 flat angles C4'-P-C4' energy: -211.353 flat angles P-C4'-P energy: -130.696 tors. eta vs tors. theta energy: -277.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3002.706384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.706384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.706384 (E_RNA) where: Base-Base interactions energy: -2061.406 where: short stacking energy: -874.458 Base-Backbone interact. energy: 1.405 local terms energy: -942.704997 where: bonds (distance) C4'-P energy: -185.238 bonds (distance) P-C4' energy: -174.183 flat angles C4'-P-C4' energy: -202.855 flat angles P-C4'-P energy: -132.701 tors. eta vs tors. theta energy: -247.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2989.058175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.058175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.058175 (E_RNA) where: Base-Base interactions energy: -2049.078 where: short stacking energy: -884.961 Base-Backbone interact. energy: 0.891 local terms energy: -940.870888 where: bonds (distance) C4'-P energy: -173.669 bonds (distance) P-C4' energy: -156.004 flat angles C4'-P-C4' energy: -211.201 flat angles P-C4'-P energy: -129.978 tors. eta vs tors. theta energy: -270.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2665.234543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.234543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.234543 (E_RNA) where: Base-Base interactions energy: -1800.544 where: short stacking energy: -798.797 Base-Backbone interact. energy: 2.681 local terms energy: -867.371453 where: bonds (distance) C4'-P energy: -163.603 bonds (distance) P-C4' energy: -171.449 flat angles C4'-P-C4' energy: -179.366 flat angles P-C4'-P energy: -116.134 tors. eta vs tors. theta energy: -236.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2342.031042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.031042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.031042 (E_RNA) where: Base-Base interactions energy: -1526.472 where: short stacking energy: -732.188 Base-Backbone interact. energy: -1.090 local terms energy: -814.469166 where: bonds (distance) C4'-P energy: -160.873 bonds (distance) P-C4' energy: -151.066 flat angles C4'-P-C4' energy: -171.888 flat angles P-C4'-P energy: -113.132 tors. eta vs tors. theta energy: -217.511 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: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2294.707666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.707666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.707666 (E_RNA) where: Base-Base interactions energy: -1523.775 where: short stacking energy: -636.225 Base-Backbone interact. energy: -1.637 local terms energy: -769.296274 where: bonds (distance) C4'-P energy: -157.798 bonds (distance) P-C4' energy: -163.479 flat angles C4'-P-C4' energy: -171.439 flat angles P-C4'-P energy: -114.405 tors. eta vs tors. theta energy: -162.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1813.820115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.820115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.820115 (E_RNA) where: Base-Base interactions energy: -1110.251 where: short stacking energy: -505.451 Base-Backbone interact. energy: 3.770 local terms energy: -707.338685 where: bonds (distance) C4'-P energy: -172.753 bonds (distance) P-C4' energy: -162.560 flat angles C4'-P-C4' energy: -149.649 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -106.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1377.956116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.956116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.956116 (E_RNA) where: Base-Base interactions energy: -832.669 where: short stacking energy: -415.621 Base-Backbone interact. energy: 0.801 local terms energy: -546.087290 where: bonds (distance) C4'-P energy: -115.911 bonds (distance) P-C4' energy: -141.367 flat angles C4'-P-C4' energy: -147.590 flat angles P-C4'-P energy: -77.504 tors. eta vs tors. theta energy: -63.714 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: 1 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1115.072798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.072798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.072798 (E_RNA) where: Base-Base interactions energy: -595.024 where: short stacking energy: -300.512 Base-Backbone interact. energy: 10.640 local terms energy: -530.688566 where: bonds (distance) C4'-P energy: -149.291 bonds (distance) P-C4' energy: -163.889 flat angles C4'-P-C4' energy: -124.005 flat angles P-C4'-P energy: -71.326 tors. eta vs tors. theta energy: -22.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -741.123488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.123488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.123488 (E_RNA) where: Base-Base interactions energy: -279.131 where: short stacking energy: -212.609 Base-Backbone interact. energy: 4.499 local terms energy: -466.491387 where: bonds (distance) C4'-P energy: -159.717 bonds (distance) P-C4' energy: -137.252 flat angles C4'-P-C4' energy: -115.179 flat angles P-C4'-P energy: -76.563 tors. eta vs tors. theta energy: 22.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3161.351244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.351244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.351244 (E_RNA) where: Base-Base interactions energy: -2164.269 where: short stacking energy: -948.802 Base-Backbone interact. energy: -3.760 local terms energy: -993.322746 where: bonds (distance) C4'-P energy: -177.842 bonds (distance) P-C4' energy: -184.728 flat angles C4'-P-C4' energy: -216.184 flat angles P-C4'-P energy: -137.306 tors. eta vs tors. theta energy: -277.263 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: 452 Temperature: 0.950000 Total energy: -3053.275333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.275333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.275333 (E_RNA) where: Base-Base interactions energy: -2130.460 where: short stacking energy: -870.506 Base-Backbone interact. energy: -5.059 local terms energy: -917.756612 where: bonds (distance) C4'-P energy: -165.380 bonds (distance) P-C4' energy: -176.310 flat angles C4'-P-C4' energy: -201.666 flat angles P-C4'-P energy: -114.703 tors. eta vs tors. theta energy: -259.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2999.100953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.100953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.100953 (E_RNA) where: Base-Base interactions energy: -2059.482 where: short stacking energy: -884.864 Base-Backbone interact. energy: -1.726 local terms energy: -937.893005 where: bonds (distance) C4'-P energy: -176.366 bonds (distance) P-C4' energy: -164.390 flat angles C4'-P-C4' energy: -201.064 flat angles P-C4'-P energy: -130.790 tors. eta vs tors. theta energy: -265.283 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: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2656.808274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.808274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.808274 (E_RNA) where: Base-Base interactions energy: -1811.335 where: short stacking energy: -766.990 Base-Backbone interact. energy: 1.715 local terms energy: -847.187814 where: bonds (distance) C4'-P energy: -168.462 bonds (distance) P-C4' energy: -151.718 flat angles C4'-P-C4' energy: -184.214 flat angles P-C4'-P energy: -112.826 tors. eta vs tors. theta energy: -229.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2349.074911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.074911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.074911 (E_RNA) where: Base-Base interactions energy: -1525.784 where: short stacking energy: -694.303 Base-Backbone interact. energy: -3.433 local terms energy: -819.858351 where: bonds (distance) C4'-P energy: -160.389 bonds (distance) P-C4' energy: -160.525 flat angles C4'-P-C4' energy: -191.590 flat angles P-C4'-P energy: -113.998 tors. eta vs tors. theta energy: -193.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2257.403403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.403403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.403403 (E_RNA) where: Base-Base interactions energy: -1492.800 where: short stacking energy: -637.113 Base-Backbone interact. energy: -0.226 local terms energy: -764.377994 where: bonds (distance) C4'-P energy: -155.983 bonds (distance) P-C4' energy: -160.211 flat angles C4'-P-C4' energy: -178.609 flat angles P-C4'-P energy: -119.357 tors. eta vs tors. theta energy: -150.218 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: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1842.289078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.289078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.289078 (E_RNA) where: Base-Base interactions energy: -1161.367 where: short stacking energy: -533.526 Base-Backbone interact. energy: -2.905 local terms energy: -678.017281 where: bonds (distance) C4'-P energy: -150.216 bonds (distance) P-C4' energy: -151.130 flat angles C4'-P-C4' energy: -147.909 flat angles P-C4'-P energy: -100.169 tors. eta vs tors. theta energy: -128.593 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: 452 Temperature: 1.250000 Total energy: -1355.477946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.477946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.477946 (E_RNA) where: Base-Base interactions energy: -788.474 where: short stacking energy: -370.357 Base-Backbone interact. energy: 3.952 local terms energy: -570.955671 where: bonds (distance) C4'-P energy: -138.701 bonds (distance) P-C4' energy: -169.321 flat angles C4'-P-C4' energy: -124.429 flat angles P-C4'-P energy: -90.035 tors. eta vs tors. theta energy: -48.469 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: 452 Temperature: 1.300000 Total energy: -1109.745219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.745219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.745219 (E_RNA) where: Base-Base interactions energy: -569.277 where: short stacking energy: -259.083 Base-Backbone interact. energy: 2.793 local terms energy: -543.261705 where: bonds (distance) C4'-P energy: -163.826 bonds (distance) P-C4' energy: -160.569 flat angles C4'-P-C4' energy: -133.372 flat angles P-C4'-P energy: -87.680 tors. eta vs tors. theta energy: 2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -710.402825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.402825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.402825 (E_RNA) where: Base-Base interactions energy: -237.629 where: short stacking energy: -172.001 Base-Backbone interact. energy: 10.112 local terms energy: -482.885285 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -156.625 flat angles C4'-P-C4' energy: -146.232 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: 37.934 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: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3196.274840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.274840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.274840 (E_RNA) where: Base-Base interactions energy: -2178.477 where: short stacking energy: -963.631 Base-Backbone interact. energy: -3.117 local terms energy: -1014.680757 where: bonds (distance) C4'-P energy: -193.626 bonds (distance) P-C4' energy: -180.048 flat angles C4'-P-C4' energy: -201.251 flat angles P-C4'-P energy: -152.796 tors. eta vs tors. theta energy: -286.960 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: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3053.424407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.424407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.424407 (E_RNA) where: Base-Base interactions energy: -2091.812 where: short stacking energy: -902.771 Base-Backbone interact. energy: 0.993 local terms energy: -962.605797 where: bonds (distance) C4'-P energy: -172.332 bonds (distance) P-C4' energy: -180.773 flat angles C4'-P-C4' energy: -208.814 flat angles P-C4'-P energy: -132.567 tors. eta vs tors. theta energy: -268.119 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: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2948.569550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.569550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.569550 (E_RNA) where: Base-Base interactions energy: -2027.877 where: short stacking energy: -855.669 Base-Backbone interact. energy: -4.105 local terms energy: -916.588131 where: bonds (distance) C4'-P energy: -167.517 bonds (distance) P-C4' energy: -165.923 flat angles C4'-P-C4' energy: -201.781 flat angles P-C4'-P energy: -127.559 tors. eta vs tors. theta energy: -253.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2658.009033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.009033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.009033 (E_RNA) where: Base-Base interactions energy: -1814.788 where: short stacking energy: -799.287 Base-Backbone interact. energy: -4.930 local terms energy: -838.291552 where: bonds (distance) C4'-P energy: -152.059 bonds (distance) P-C4' energy: -157.907 flat angles C4'-P-C4' energy: -188.790 flat angles P-C4'-P energy: -115.571 tors. eta vs tors. theta energy: -223.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2377.791644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.791644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.791644 (E_RNA) where: Base-Base interactions energy: -1500.217 where: short stacking energy: -669.308 Base-Backbone interact. energy: -3.008 local terms energy: -874.566237 where: bonds (distance) C4'-P energy: -171.320 bonds (distance) P-C4' energy: -194.733 flat angles C4'-P-C4' energy: -194.879 flat angles P-C4'-P energy: -111.988 tors. eta vs tors. theta energy: -201.647 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: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2292.014882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.014882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.014882 (E_RNA) where: Base-Base interactions energy: -1533.681 where: short stacking energy: -675.058 Base-Backbone interact. energy: 3.691 local terms energy: -762.024461 where: bonds (distance) C4'-P energy: -150.244 bonds (distance) P-C4' energy: -153.362 flat angles C4'-P-C4' energy: -175.378 flat angles P-C4'-P energy: -106.785 tors. eta vs tors. theta energy: -176.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1908.484473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.484473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.484473 (E_RNA) where: Base-Base interactions energy: -1229.436 where: short stacking energy: -556.536 Base-Backbone interact. energy: -1.301 local terms energy: -677.747070 where: bonds (distance) C4'-P energy: -149.944 bonds (distance) P-C4' energy: -143.392 flat angles C4'-P-C4' energy: -156.325 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -131.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1312.803266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.803266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.803266 (E_RNA) where: Base-Base interactions energy: -760.272 where: short stacking energy: -385.425 Base-Backbone interact. energy: -2.389 local terms energy: -550.141806 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -159.991 flat angles C4'-P-C4' energy: -145.844 flat angles P-C4'-P energy: -72.891 tors. eta vs tors. theta energy: -30.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1026.021012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.021012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.021012 (E_RNA) where: Base-Base interactions energy: -518.650 where: short stacking energy: -281.275 Base-Backbone interact. energy: 0.226 local terms energy: -507.597087 where: bonds (distance) C4'-P energy: -127.177 bonds (distance) P-C4' energy: -162.752 flat angles C4'-P-C4' energy: -134.468 flat angles P-C4'-P energy: -86.197 tors. eta vs tors. theta energy: 2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -724.408469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.408469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.408469 (E_RNA) where: Base-Base interactions energy: -307.844 where: short stacking energy: -196.846 Base-Backbone interact. energy: 2.059 local terms energy: -418.623344 where: bonds (distance) C4'-P energy: -149.002 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -98.209 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: 31.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3201.083291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.083291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.083291 (E_RNA) where: Base-Base interactions energy: -2202.214 where: short stacking energy: -950.697 Base-Backbone interact. energy: -2.480 local terms energy: -996.388993 where: bonds (distance) C4'-P energy: -173.507 bonds (distance) P-C4' energy: -191.497 flat angles C4'-P-C4' energy: -210.116 flat angles P-C4'-P energy: -142.361 tors. eta vs tors. theta energy: -278.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3079.114840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.114840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.114840 (E_RNA) where: Base-Base interactions energy: -2070.436 where: short stacking energy: -904.843 Base-Backbone interact. energy: -6.140 local terms energy: -1002.538804 where: bonds (distance) C4'-P energy: -185.223 bonds (distance) P-C4' energy: -182.900 flat angles C4'-P-C4' energy: -221.993 flat angles P-C4'-P energy: -125.770 tors. eta vs tors. theta energy: -286.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2934.597133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.597133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.597133 (E_RNA) where: Base-Base interactions energy: -2034.784 where: short stacking energy: -861.068 Base-Backbone interact. energy: -0.232 local terms energy: -899.581202 where: bonds (distance) C4'-P energy: -146.238 bonds (distance) P-C4' energy: -180.764 flat angles C4'-P-C4' energy: -201.113 flat angles P-C4'-P energy: -120.807 tors. eta vs tors. theta energy: -250.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2746.040997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.040997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.040997 (E_RNA) where: Base-Base interactions energy: -1840.773 where: short stacking energy: -806.024 Base-Backbone interact. energy: -0.220 local terms energy: -905.047630 where: bonds (distance) C4'-P energy: -173.103 bonds (distance) P-C4' energy: -177.209 flat angles C4'-P-C4' energy: -196.591 flat angles P-C4'-P energy: -101.524 tors. eta vs tors. theta energy: -256.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2391.887227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.887227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.887227 (E_RNA) where: Base-Base interactions energy: -1519.791 where: short stacking energy: -712.532 Base-Backbone interact. energy: -0.957 local terms energy: -871.139830 where: bonds (distance) C4'-P energy: -153.761 bonds (distance) P-C4' energy: -184.397 flat angles C4'-P-C4' energy: -191.145 flat angles P-C4'-P energy: -127.964 tors. eta vs tors. theta energy: -213.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2233.912380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.912380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.912380 (E_RNA) where: Base-Base interactions energy: -1464.334 where: short stacking energy: -636.432 Base-Backbone interact. energy: 0.942 local terms energy: -770.520473 where: bonds (distance) C4'-P energy: -153.133 bonds (distance) P-C4' energy: -161.777 flat angles C4'-P-C4' energy: -180.339 flat angles P-C4'-P energy: -113.655 tors. eta vs tors. theta energy: -161.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2054.317733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.317733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.317733 (E_RNA) where: Base-Base interactions energy: -1317.187 where: short stacking energy: -599.859 Base-Backbone interact. energy: -1.626 local terms energy: -735.504790 where: bonds (distance) C4'-P energy: -159.386 bonds (distance) P-C4' energy: -132.296 flat angles C4'-P-C4' energy: -177.744 flat angles P-C4'-P energy: -104.232 tors. eta vs tors. theta energy: -161.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1354.086082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.086082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.086082 (E_RNA) where: Base-Base interactions energy: -789.540 where: short stacking energy: -397.644 Base-Backbone interact. energy: -3.014 local terms energy: -561.532510 where: bonds (distance) C4'-P energy: -143.695 bonds (distance) P-C4' energy: -157.793 flat angles C4'-P-C4' energy: -142.056 flat angles P-C4'-P energy: -74.174 tors. eta vs tors. theta energy: -43.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1090.929335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.929335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.929335 (E_RNA) where: Base-Base interactions energy: -545.362 where: short stacking energy: -283.304 Base-Backbone interact. energy: -0.787 local terms energy: -544.779977 where: bonds (distance) C4'-P energy: -158.686 bonds (distance) P-C4' energy: -168.287 flat angles C4'-P-C4' energy: -134.094 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -6.339 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: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -766.382162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.382162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.382162 (E_RNA) where: Base-Base interactions energy: -276.469 where: short stacking energy: -192.526 Base-Backbone interact. energy: -1.280 local terms energy: -488.632316 where: bonds (distance) C4'-P energy: -160.274 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -112.514 flat angles P-C4'-P energy: -95.179 tors. eta vs tors. theta energy: 20.530 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: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3155.494771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.494771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.494771 (E_RNA) where: Base-Base interactions energy: -2167.560 where: short stacking energy: -929.641 Base-Backbone interact. energy: -0.239 local terms energy: -987.695885 where: bonds (distance) C4'-P energy: -178.631 bonds (distance) P-C4' energy: -174.303 flat angles C4'-P-C4' energy: -212.894 flat angles P-C4'-P energy: -143.922 tors. eta vs tors. theta energy: -277.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3071.242358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.242358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.242358 (E_RNA) where: Base-Base interactions energy: -2098.659 where: short stacking energy: -898.680 Base-Backbone interact. energy: -2.767 local terms energy: -969.816518 where: bonds (distance) C4'-P energy: -178.526 bonds (distance) P-C4' energy: -179.427 flat angles C4'-P-C4' energy: -205.523 flat angles P-C4'-P energy: -136.477 tors. eta vs tors. theta energy: -269.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2988.956619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.956619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.956619 (E_RNA) where: Base-Base interactions energy: -2053.480 where: short stacking energy: -888.431 Base-Backbone interact. energy: -2.054 local terms energy: -933.422141 where: bonds (distance) C4'-P energy: -159.163 bonds (distance) P-C4' energy: -164.900 flat angles C4'-P-C4' energy: -212.041 flat angles P-C4'-P energy: -137.108 tors. eta vs tors. theta energy: -260.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2639.302625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.302625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.302625 (E_RNA) where: Base-Base interactions energy: -1770.001 where: short stacking energy: -774.701 Base-Backbone interact. energy: -3.296 local terms energy: -866.005404 where: bonds (distance) C4'-P energy: -167.019 bonds (distance) P-C4' energy: -160.914 flat angles C4'-P-C4' energy: -190.726 flat angles P-C4'-P energy: -112.438 tors. eta vs tors. theta energy: -234.909 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: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2300.158403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.158403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.158403 (E_RNA) where: Base-Base interactions energy: -1505.825 where: short stacking energy: -684.732 Base-Backbone interact. energy: -1.150 local terms energy: -793.183595 where: bonds (distance) C4'-P energy: -156.837 bonds (distance) P-C4' energy: -158.729 flat angles C4'-P-C4' energy: -164.785 flat angles P-C4'-P energy: -121.868 tors. eta vs tors. theta energy: -190.965 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: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2168.435210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.435210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.435210 (E_RNA) where: Base-Base interactions energy: -1417.353 where: short stacking energy: -601.458 Base-Backbone interact. energy: 4.667 local terms energy: -755.749504 where: bonds (distance) C4'-P energy: -173.609 bonds (distance) P-C4' energy: -162.124 flat angles C4'-P-C4' energy: -171.893 flat angles P-C4'-P energy: -91.705 tors. eta vs tors. theta energy: -156.418 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: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1977.716198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.716198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.716198 (E_RNA) where: Base-Base interactions energy: -1271.692 where: short stacking energy: -588.338 Base-Backbone interact. energy: -0.690 local terms energy: -705.333812 where: bonds (distance) C4'-P energy: -152.376 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -169.391 flat angles P-C4'-P energy: -103.490 tors. eta vs tors. theta energy: -139.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1411.849355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.849355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.849355 (E_RNA) where: Base-Base interactions energy: -822.111 where: short stacking energy: -400.196 Base-Backbone interact. energy: -3.647 local terms energy: -586.091546 where: bonds (distance) C4'-P energy: -134.946 bonds (distance) P-C4' energy: -146.951 flat angles C4'-P-C4' energy: -163.058 flat angles P-C4'-P energy: -77.894 tors. eta vs tors. theta energy: -63.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1023.720482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.720482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.720482 (E_RNA) where: Base-Base interactions energy: -486.397 where: short stacking energy: -250.006 Base-Backbone interact. energy: 4.649 local terms energy: -541.972542 where: bonds (distance) C4'-P energy: -162.779 bonds (distance) P-C4' energy: -166.025 flat angles C4'-P-C4' energy: -145.600 flat angles P-C4'-P energy: -90.231 tors. eta vs tors. theta energy: 22.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -723.871641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.871641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.871641 (E_RNA) where: Base-Base interactions energy: -271.921 where: short stacking energy: -191.401 Base-Backbone interact. energy: -2.584 local terms energy: -449.366846 where: bonds (distance) C4'-P energy: -143.898 bonds (distance) P-C4' energy: -153.096 flat angles C4'-P-C4' energy: -117.798 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: 43.709 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: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3181.555444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.555444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.555444 (E_RNA) where: Base-Base interactions energy: -2156.222 where: short stacking energy: -947.257 Base-Backbone interact. energy: -4.763 local terms energy: -1020.570558 where: bonds (distance) C4'-P energy: -164.971 bonds (distance) P-C4' energy: -192.607 flat angles C4'-P-C4' energy: -226.857 flat angles P-C4'-P energy: -151.423 tors. eta vs tors. theta energy: -284.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3122.895284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.895284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.895284 (E_RNA) where: Base-Base interactions energy: -2130.270 where: short stacking energy: -923.592 Base-Backbone interact. energy: -1.140 local terms energy: -991.485385 where: bonds (distance) C4'-P energy: -189.050 bonds (distance) P-C4' energy: -155.062 flat angles C4'-P-C4' energy: -213.885 flat angles P-C4'-P energy: -146.309 tors. eta vs tors. theta energy: -287.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2945.704258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.704258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.704258 (E_RNA) where: Base-Base interactions energy: -2040.626 where: short stacking energy: -877.361 Base-Backbone interact. energy: 4.342 local terms energy: -909.420236 where: bonds (distance) C4'-P energy: -168.200 bonds (distance) P-C4' energy: -176.198 flat angles C4'-P-C4' energy: -193.468 flat angles P-C4'-P energy: -115.763 tors. eta vs tors. theta energy: -255.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2682.050583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.050583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.050583 (E_RNA) where: Base-Base interactions energy: -1818.452 where: short stacking energy: -777.971 Base-Backbone interact. energy: -3.108 local terms energy: -860.490316 where: bonds (distance) C4'-P energy: -149.636 bonds (distance) P-C4' energy: -175.209 flat angles C4'-P-C4' energy: -191.611 flat angles P-C4'-P energy: -108.894 tors. eta vs tors. theta energy: -235.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2360.403490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.403490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.403490 (E_RNA) where: Base-Base interactions energy: -1584.430 where: short stacking energy: -717.990 Base-Backbone interact. energy: 1.663 local terms energy: -777.637055 where: bonds (distance) C4'-P energy: -150.892 bonds (distance) P-C4' energy: -162.487 flat angles C4'-P-C4' energy: -176.899 flat angles P-C4'-P energy: -104.780 tors. eta vs tors. theta energy: -182.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2200.151369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.151369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.151369 (E_RNA) where: Base-Base interactions energy: -1421.756 where: short stacking energy: -653.592 Base-Backbone interact. energy: 4.104 local terms energy: -782.500138 where: bonds (distance) C4'-P energy: -163.186 bonds (distance) P-C4' energy: -171.626 flat angles C4'-P-C4' energy: -177.378 flat angles P-C4'-P energy: -111.009 tors. eta vs tors. theta energy: -159.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1967.371742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.371742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.371742 (E_RNA) where: Base-Base interactions energy: -1273.150 where: short stacking energy: -567.618 Base-Backbone interact. energy: -0.286 local terms energy: -693.935507 where: bonds (distance) C4'-P energy: -130.849 bonds (distance) P-C4' energy: -157.898 flat angles C4'-P-C4' energy: -150.819 flat angles P-C4'-P energy: -109.403 tors. eta vs tors. theta energy: -144.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1424.891335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.891335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.891335 (E_RNA) where: Base-Base interactions energy: -833.514 where: short stacking energy: -415.977 Base-Backbone interact. energy: 5.279 local terms energy: -596.656603 where: bonds (distance) C4'-P energy: -147.840 bonds (distance) P-C4' energy: -150.279 flat angles C4'-P-C4' energy: -150.321 flat angles P-C4'-P energy: -98.931 tors. eta vs tors. theta energy: -49.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1096.283552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.283552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.283552 (E_RNA) where: Base-Base interactions energy: -526.279 where: short stacking energy: -323.530 Base-Backbone interact. energy: -0.626 local terms energy: -569.377817 where: bonds (distance) C4'-P energy: -155.352 bonds (distance) P-C4' energy: -161.118 flat angles C4'-P-C4' energy: -138.555 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -31.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -676.085549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.085549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.085549 (E_RNA) where: Base-Base interactions energy: -218.575 where: short stacking energy: -191.937 Base-Backbone interact. energy: -2.895 local terms energy: -454.615280 where: bonds (distance) C4'-P energy: -150.911 bonds (distance) P-C4' energy: -132.378 flat angles C4'-P-C4' energy: -130.659 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: 25.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3228.908189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.908189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.908189 (E_RNA) where: Base-Base interactions energy: -2204.438 where: short stacking energy: -964.754 Base-Backbone interact. energy: -3.310 local terms energy: -1021.160312 where: bonds (distance) C4'-P energy: -196.476 bonds (distance) P-C4' energy: -192.294 flat angles C4'-P-C4' energy: -207.406 flat angles P-C4'-P energy: -133.830 tors. eta vs tors. theta energy: -291.155 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: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3075.836695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.836695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.836695 (E_RNA) where: Base-Base interactions energy: -2105.429 where: short stacking energy: -902.109 Base-Backbone interact. energy: -3.428 local terms energy: -966.979651 where: bonds (distance) C4'-P energy: -171.771 bonds (distance) P-C4' energy: -192.645 flat angles C4'-P-C4' energy: -214.678 flat angles P-C4'-P energy: -122.573 tors. eta vs tors. theta energy: -265.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2965.685828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.685828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.685828 (E_RNA) where: Base-Base interactions energy: -2041.919 where: short stacking energy: -884.509 Base-Backbone interact. energy: -3.920 local terms energy: -919.846776 where: bonds (distance) C4'-P energy: -169.298 bonds (distance) P-C4' energy: -178.219 flat angles C4'-P-C4' energy: -199.058 flat angles P-C4'-P energy: -120.689 tors. eta vs tors. theta energy: -252.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2688.806748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.806748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.806748 (E_RNA) where: Base-Base interactions energy: -1782.265 where: short stacking energy: -818.636 Base-Backbone interact. energy: -2.715 local terms energy: -903.827166 where: bonds (distance) C4'-P energy: -170.034 bonds (distance) P-C4' energy: -171.276 flat angles C4'-P-C4' energy: -176.815 flat angles P-C4'-P energy: -131.290 tors. eta vs tors. theta energy: -254.412 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: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2326.721454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.721454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.721454 (E_RNA) where: Base-Base interactions energy: -1554.110 where: short stacking energy: -708.629 Base-Backbone interact. energy: 1.254 local terms energy: -773.865845 where: bonds (distance) C4'-P energy: -133.680 bonds (distance) P-C4' energy: -170.683 flat angles C4'-P-C4' energy: -173.738 flat angles P-C4'-P energy: -106.958 tors. eta vs tors. theta energy: -188.807 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: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2146.012202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.012202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.012202 (E_RNA) where: Base-Base interactions energy: -1414.193 where: short stacking energy: -638.977 Base-Backbone interact. energy: -1.215 local terms energy: -730.603962 where: bonds (distance) C4'-P energy: -147.351 bonds (distance) P-C4' energy: -153.779 flat angles C4'-P-C4' energy: -161.351 flat angles P-C4'-P energy: -117.865 tors. eta vs tors. theta energy: -150.258 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: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2019.927453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.927453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.927453 (E_RNA) where: Base-Base interactions energy: -1318.998 where: short stacking energy: -569.681 Base-Backbone interact. energy: -1.107 local terms energy: -699.822782 where: bonds (distance) C4'-P energy: -133.071 bonds (distance) P-C4' energy: -173.105 flat angles C4'-P-C4' energy: -152.105 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -131.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1398.856584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.856584 (E_RNA) where: Base-Base interactions energy: -795.594 where: short stacking energy: -381.327 Base-Backbone interact. energy: 0.968 local terms energy: -604.230641 where: bonds (distance) C4'-P energy: -151.446 bonds (distance) P-C4' energy: -180.180 flat angles C4'-P-C4' energy: -121.080 flat angles P-C4'-P energy: -113.565 tors. eta vs tors. theta energy: -37.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -988.135813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.135813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.135813 (E_RNA) where: Base-Base interactions energy: -475.565 where: short stacking energy: -263.416 Base-Backbone interact. energy: 1.790 local terms energy: -514.360523 where: bonds (distance) C4'-P energy: -139.154 bonds (distance) P-C4' energy: -169.694 flat angles C4'-P-C4' energy: -137.500 flat angles P-C4'-P energy: -78.400 tors. eta vs tors. theta energy: 10.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -639.081284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.081284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.081284 (E_RNA) where: Base-Base interactions energy: -218.437 where: short stacking energy: -198.444 Base-Backbone interact. energy: 4.884 local terms energy: -425.528519 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -140.146 flat angles C4'-P-C4' energy: -114.830 flat angles P-C4'-P energy: -65.687 tors. eta vs tors. theta energy: 38.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3174.902320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.902320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.902320 (E_RNA) where: Base-Base interactions energy: -2177.359 where: short stacking energy: -961.177 Base-Backbone interact. energy: -2.748 local terms energy: -994.795904 where: bonds (distance) C4'-P energy: -186.710 bonds (distance) P-C4' energy: -179.524 flat angles C4'-P-C4' energy: -213.492 flat angles P-C4'-P energy: -136.533 tors. eta vs tors. theta energy: -278.538 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: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3104.075663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.075663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.075663 (E_RNA) where: Base-Base interactions energy: -2109.050 where: short stacking energy: -923.486 Base-Backbone interact. energy: -2.845 local terms energy: -992.181165 where: bonds (distance) C4'-P energy: -170.346 bonds (distance) P-C4' energy: -195.386 flat angles C4'-P-C4' energy: -216.602 flat angles P-C4'-P energy: -126.991 tors. eta vs tors. theta energy: -282.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2935.641556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.641556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.641556 (E_RNA) where: Base-Base interactions energy: -2041.843 where: short stacking energy: -855.505 Base-Backbone interact. energy: 0.196 local terms energy: -893.994729 where: bonds (distance) C4'-P energy: -166.012 bonds (distance) P-C4' energy: -157.998 flat angles C4'-P-C4' energy: -194.128 flat angles P-C4'-P energy: -133.349 tors. eta vs tors. theta energy: -242.507 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: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2649.252351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.252351 (E_RNA) where: Base-Base interactions energy: -1766.009 where: short stacking energy: -795.773 Base-Backbone interact. energy: -0.815 local terms energy: -882.428827 where: bonds (distance) C4'-P energy: -156.167 bonds (distance) P-C4' energy: -176.334 flat angles C4'-P-C4' energy: -190.278 flat angles P-C4'-P energy: -127.001 tors. eta vs tors. theta energy: -232.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2342.129441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.129441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.129441 (E_RNA) where: Base-Base interactions energy: -1524.077 where: short stacking energy: -677.575 Base-Backbone interact. energy: -0.937 local terms energy: -817.115332 where: bonds (distance) C4'-P energy: -171.678 bonds (distance) P-C4' energy: -176.534 flat angles C4'-P-C4' energy: -189.751 flat angles P-C4'-P energy: -102.269 tors. eta vs tors. theta energy: -176.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2150.794980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.794980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.794980 (E_RNA) where: Base-Base interactions energy: -1410.375 where: short stacking energy: -604.862 Base-Backbone interact. energy: 3.000 local terms energy: -743.420303 where: bonds (distance) C4'-P energy: -161.169 bonds (distance) P-C4' energy: -145.829 flat angles C4'-P-C4' energy: -178.438 flat angles P-C4'-P energy: -104.912 tors. eta vs tors. theta energy: -153.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1997.380591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.380591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.380591 (E_RNA) where: Base-Base interactions energy: -1297.511 where: short stacking energy: -575.379 Base-Backbone interact. energy: -2.602 local terms energy: -697.267553 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -150.757 flat angles C4'-P-C4' energy: -165.102 flat angles P-C4'-P energy: -97.404 tors. eta vs tors. theta energy: -141.643 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: 458 Temperature: 1.250000 Total energy: -1328.868763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.868763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.868763 (E_RNA) where: Base-Base interactions energy: -759.595 where: short stacking energy: -401.664 Base-Backbone interact. energy: 6.439 local terms energy: -575.712451 where: bonds (distance) C4'-P energy: -157.496 bonds (distance) P-C4' energy: -143.008 flat angles C4'-P-C4' energy: -138.270 flat angles P-C4'-P energy: -65.601 tors. eta vs tors. theta energy: -71.338 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: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1028.307061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.307061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.307061 (E_RNA) where: Base-Base interactions energy: -515.009 where: short stacking energy: -278.652 Base-Backbone interact. energy: 4.174 local terms energy: -517.471739 where: bonds (distance) C4'-P energy: -152.672 bonds (distance) P-C4' energy: -161.481 flat angles C4'-P-C4' energy: -131.705 flat angles P-C4'-P energy: -66.947 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -716.098763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.098763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.098763 (E_RNA) where: Base-Base interactions energy: -263.682 where: short stacking energy: -201.820 Base-Backbone interact. energy: -5.877 local terms energy: -446.539896 where: bonds (distance) C4'-P energy: -146.351 bonds (distance) P-C4' energy: -154.625 flat angles C4'-P-C4' energy: -120.977 flat angles P-C4'-P energy: -64.666 tors. eta vs tors. theta energy: 40.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3182.909988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.909988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.909988 (E_RNA) where: Base-Base interactions energy: -2177.472 where: short stacking energy: -931.625 Base-Backbone interact. energy: -0.879 local terms energy: -1004.558921 where: bonds (distance) C4'-P energy: -180.271 bonds (distance) P-C4' energy: -183.928 flat angles C4'-P-C4' energy: -205.998 flat angles P-C4'-P energy: -160.420 tors. eta vs tors. theta energy: -273.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3075.385560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.385560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.385560 (E_RNA) where: Base-Base interactions energy: -2128.927 where: short stacking energy: -899.730 Base-Backbone interact. energy: -2.612 local terms energy: -943.846787 where: bonds (distance) C4'-P energy: -161.192 bonds (distance) P-C4' energy: -170.989 flat angles C4'-P-C4' energy: -206.487 flat angles P-C4'-P energy: -131.055 tors. eta vs tors. theta energy: -274.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2984.574575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.574575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.574575 (E_RNA) where: Base-Base interactions energy: -2033.647 where: short stacking energy: -882.570 Base-Backbone interact. energy: -0.956 local terms energy: -949.972402 where: bonds (distance) C4'-P energy: -182.905 bonds (distance) P-C4' energy: -175.163 flat angles C4'-P-C4' energy: -193.737 flat angles P-C4'-P energy: -137.806 tors. eta vs tors. theta energy: -260.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2628.489690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.489690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.489690 (E_RNA) where: Base-Base interactions energy: -1769.915 where: short stacking energy: -791.639 Base-Backbone interact. energy: 5.249 local terms energy: -863.823645 where: bonds (distance) C4'-P energy: -150.952 bonds (distance) P-C4' energy: -168.855 flat angles C4'-P-C4' energy: -181.946 flat angles P-C4'-P energy: -127.415 tors. eta vs tors. theta energy: -234.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2399.928234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.928234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.928234 (E_RNA) where: Base-Base interactions energy: -1542.088 where: short stacking energy: -716.317 Base-Backbone interact. energy: -3.906 local terms energy: -853.934410 where: bonds (distance) C4'-P energy: -164.170 bonds (distance) P-C4' energy: -182.525 flat angles C4'-P-C4' energy: -188.519 flat angles P-C4'-P energy: -116.598 tors. eta vs tors. theta energy: -202.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2213.210308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.210308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.210308 (E_RNA) where: Base-Base interactions energy: -1433.582 where: short stacking energy: -616.172 Base-Backbone interact. energy: -1.638 local terms energy: -777.990006 where: bonds (distance) C4'-P energy: -163.662 bonds (distance) P-C4' energy: -173.302 flat angles C4'-P-C4' energy: -171.963 flat angles P-C4'-P energy: -94.865 tors. eta vs tors. theta energy: -174.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1991.885405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.885405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.885405 (E_RNA) where: Base-Base interactions energy: -1282.959 where: short stacking energy: -569.688 Base-Backbone interact. energy: -0.050 local terms energy: -708.876144 where: bonds (distance) C4'-P energy: -141.641 bonds (distance) P-C4' energy: -161.223 flat angles C4'-P-C4' energy: -167.649 flat angles P-C4'-P energy: -96.875 tors. eta vs tors. theta energy: -141.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1456.132538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.132538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.132538 (E_RNA) where: Base-Base interactions energy: -850.155 where: short stacking energy: -407.893 Base-Backbone interact. energy: -0.621 local terms energy: -605.357361 where: bonds (distance) C4'-P energy: -142.913 bonds (distance) P-C4' energy: -142.159 flat angles C4'-P-C4' energy: -146.887 flat angles P-C4'-P energy: -106.411 tors. eta vs tors. theta energy: -66.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1029.760372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.760372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.760372 (E_RNA) where: Base-Base interactions energy: -515.573 where: short stacking energy: -252.071 Base-Backbone interact. energy: 10.551 local terms energy: -524.737944 where: bonds (distance) C4'-P energy: -127.003 bonds (distance) P-C4' energy: -159.393 flat angles C4'-P-C4' energy: -158.965 flat angles P-C4'-P energy: -75.568 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: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -659.480300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.480300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.480300 (E_RNA) where: Base-Base interactions energy: -219.950 where: short stacking energy: -158.956 Base-Backbone interact. energy: 5.414 local terms energy: -444.944464 where: bonds (distance) C4'-P energy: -147.123 bonds (distance) P-C4' energy: -150.466 flat angles C4'-P-C4' energy: -139.516 flat angles P-C4'-P energy: -46.259 tors. eta vs tors. theta energy: 38.420 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: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3190.616759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.616759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.616759 (E_RNA) where: Base-Base interactions energy: -2179.688 where: short stacking energy: -967.830 Base-Backbone interact. energy: -0.235 local terms energy: -1010.694183 where: bonds (distance) C4'-P energy: -187.009 bonds (distance) P-C4' energy: -176.275 flat angles C4'-P-C4' energy: -210.566 flat angles P-C4'-P energy: -155.570 tors. eta vs tors. theta energy: -281.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3048.064703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.064703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.064703 (E_RNA) where: Base-Base interactions energy: -2071.348 where: short stacking energy: -915.447 Base-Backbone interact. energy: -4.823 local terms energy: -971.893609 where: bonds (distance) C4'-P energy: -171.392 bonds (distance) P-C4' energy: -182.180 flat angles C4'-P-C4' energy: -206.518 flat angles P-C4'-P energy: -134.564 tors. eta vs tors. theta energy: -277.239 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: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2971.645759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.645759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.645759 (E_RNA) where: Base-Base interactions energy: -2026.692 where: short stacking energy: -892.768 Base-Backbone interact. energy: -0.760 local terms energy: -944.194084 where: bonds (distance) C4'-P energy: -175.168 bonds (distance) P-C4' energy: -189.601 flat angles C4'-P-C4' energy: -198.377 flat angles P-C4'-P energy: -122.348 tors. eta vs tors. theta energy: -258.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2637.428156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.428156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.428156 (E_RNA) where: Base-Base interactions energy: -1738.821 where: short stacking energy: -735.565 Base-Backbone interact. energy: -2.796 local terms energy: -895.810767 where: bonds (distance) C4'-P energy: -170.813 bonds (distance) P-C4' energy: -184.783 flat angles C4'-P-C4' energy: -192.234 flat angles P-C4'-P energy: -129.784 tors. eta vs tors. theta energy: -218.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2421.858116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.858116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.858116 (E_RNA) where: Base-Base interactions energy: -1567.520 where: short stacking energy: -725.739 Base-Backbone interact. energy: -3.480 local terms energy: -850.858902 where: bonds (distance) C4'-P energy: -162.229 bonds (distance) P-C4' energy: -174.852 flat angles C4'-P-C4' energy: -187.815 flat angles P-C4'-P energy: -105.852 tors. eta vs tors. theta energy: -220.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2237.086371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.086371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.086371 (E_RNA) where: Base-Base interactions energy: -1476.873 where: short stacking energy: -630.499 Base-Backbone interact. energy: 1.148 local terms energy: -761.361233 where: bonds (distance) C4'-P energy: -157.675 bonds (distance) P-C4' energy: -162.403 flat angles C4'-P-C4' energy: -176.265 flat angles P-C4'-P energy: -111.480 tors. eta vs tors. theta energy: -153.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1988.062034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.062034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.062034 (E_RNA) where: Base-Base interactions energy: -1279.234 where: short stacking energy: -597.408 Base-Backbone interact. energy: -1.074 local terms energy: -707.753854 where: bonds (distance) C4'-P energy: -145.252 bonds (distance) P-C4' energy: -151.515 flat angles C4'-P-C4' energy: -170.967 flat angles P-C4'-P energy: -94.982 tors. eta vs tors. theta energy: -145.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1500.394841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.394841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.394841 (E_RNA) where: Base-Base interactions energy: -928.807 where: short stacking energy: -440.589 Base-Backbone interact. energy: 2.427 local terms energy: -574.014608 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -153.332 flat angles C4'-P-C4' energy: -142.262 flat angles P-C4'-P energy: -99.200 tors. eta vs tors. theta energy: -61.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1006.163792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.163792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.163792 (E_RNA) where: Base-Base interactions energy: -454.580 where: short stacking energy: -244.838 Base-Backbone interact. energy: -7.047 local terms energy: -544.537276 where: bonds (distance) C4'-P energy: -146.462 bonds (distance) P-C4' energy: -156.727 flat angles C4'-P-C4' energy: -146.722 flat angles P-C4'-P energy: -75.185 tors. eta vs tors. theta energy: -19.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -760.501339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.501339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.501339 (E_RNA) where: Base-Base interactions energy: -292.671 where: short stacking energy: -204.009 Base-Backbone interact. energy: 3.878 local terms energy: -471.708557 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -166.675 flat angles C4'-P-C4' energy: -132.663 flat angles P-C4'-P energy: -75.631 tors. eta vs tors. theta energy: 34.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3170.102273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.102273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.102273 (E_RNA) where: Base-Base interactions energy: -2195.665 where: short stacking energy: -942.514 Base-Backbone interact. energy: -1.373 local terms energy: -973.064453 where: bonds (distance) C4'-P energy: -171.106 bonds (distance) P-C4' energy: -164.162 flat angles C4'-P-C4' energy: -209.866 flat angles P-C4'-P energy: -149.839 tors. eta vs tors. theta energy: -278.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3038.403743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.403743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.403743 (E_RNA) where: Base-Base interactions energy: -2069.662 where: short stacking energy: -905.676 Base-Backbone interact. energy: -3.495 local terms energy: -965.246953 where: bonds (distance) C4'-P energy: -177.463 bonds (distance) P-C4' energy: -181.097 flat angles C4'-P-C4' energy: -211.469 flat angles P-C4'-P energy: -125.297 tors. eta vs tors. theta energy: -269.921 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2935.881891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.881891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.881891 (E_RNA) where: Base-Base interactions energy: -2002.495 where: short stacking energy: -816.404 Base-Backbone interact. energy: 1.749 local terms energy: -935.135948 where: bonds (distance) C4'-P energy: -184.189 bonds (distance) P-C4' energy: -174.314 flat angles C4'-P-C4' energy: -191.755 flat angles P-C4'-P energy: -137.437 tors. eta vs tors. theta energy: -247.441 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: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2675.593204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.593204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.593204 (E_RNA) where: Base-Base interactions energy: -1810.431 where: short stacking energy: -783.332 Base-Backbone interact. energy: -1.607 local terms energy: -863.555355 where: bonds (distance) C4'-P energy: -150.435 bonds (distance) P-C4' energy: -171.110 flat angles C4'-P-C4' energy: -197.632 flat angles P-C4'-P energy: -113.929 tors. eta vs tors. theta energy: -230.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2396.700417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.700417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.700417 (E_RNA) where: Base-Base interactions energy: -1565.964 where: short stacking energy: -731.979 Base-Backbone interact. energy: -0.139 local terms energy: -830.597084 where: bonds (distance) C4'-P energy: -167.421 bonds (distance) P-C4' energy: -147.336 flat angles C4'-P-C4' energy: -181.670 flat angles P-C4'-P energy: -118.593 tors. eta vs tors. theta energy: -215.577 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: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2230.028181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.028181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.028181 (E_RNA) where: Base-Base interactions energy: -1509.452 where: short stacking energy: -679.232 Base-Backbone interact. energy: 1.594 local terms energy: -722.170381 where: bonds (distance) C4'-P energy: -134.658 bonds (distance) P-C4' energy: -163.856 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -102.424 tors. eta vs tors. theta energy: -173.403 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: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1933.283598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.283598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.283598 (E_RNA) where: Base-Base interactions energy: -1239.072 where: short stacking energy: -542.408 Base-Backbone interact. energy: -1.764 local terms energy: -692.447795 where: bonds (distance) C4'-P energy: -137.659 bonds (distance) P-C4' energy: -157.585 flat angles C4'-P-C4' energy: -166.806 flat angles P-C4'-P energy: -116.602 tors. eta vs tors. theta energy: -113.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1483.770088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.770088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.770088 (E_RNA) where: Base-Base interactions energy: -860.134 where: short stacking energy: -407.301 Base-Backbone interact. energy: -3.827 local terms energy: -619.809003 where: bonds (distance) C4'-P energy: -144.908 bonds (distance) P-C4' energy: -162.956 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -86.374 tors. eta vs tors. theta energy: -64.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1051.017068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.017068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.017068 (E_RNA) where: Base-Base interactions energy: -525.946 where: short stacking energy: -312.539 Base-Backbone interact. energy: 3.290 local terms energy: -528.361668 where: bonds (distance) C4'-P energy: -154.383 bonds (distance) P-C4' energy: -144.118 flat angles C4'-P-C4' energy: -119.889 flat angles P-C4'-P energy: -95.152 tors. eta vs tors. theta energy: -14.821 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: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -779.793501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.793501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.793501 (E_RNA) where: Base-Base interactions energy: -323.625 where: short stacking energy: -238.430 Base-Backbone interact. energy: 3.636 local terms energy: -459.805117 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -142.971 flat angles C4'-P-C4' energy: -119.761 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: 16.186 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: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3162.571211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.571211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.571211 (E_RNA) where: Base-Base interactions energy: -2176.868 where: short stacking energy: -939.156 Base-Backbone interact. energy: -1.028 local terms energy: -984.675345 where: bonds (distance) C4'-P energy: -187.624 bonds (distance) P-C4' energy: -172.697 flat angles C4'-P-C4' energy: -208.875 flat angles P-C4'-P energy: -135.880 tors. eta vs tors. theta energy: -279.600 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: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3011.672152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.672152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.672152 (E_RNA) where: Base-Base interactions energy: -2065.042 where: short stacking energy: -881.967 Base-Backbone interact. energy: -2.235 local terms energy: -944.395312 where: bonds (distance) C4'-P energy: -161.458 bonds (distance) P-C4' energy: -181.371 flat angles C4'-P-C4' energy: -201.769 flat angles P-C4'-P energy: -134.724 tors. eta vs tors. theta energy: -265.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2925.902243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.902243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.902243 (E_RNA) where: Base-Base interactions energy: -1991.244 where: short stacking energy: -887.914 Base-Backbone interact. energy: -4.240 local terms energy: -930.418444 where: bonds (distance) C4'-P energy: -175.564 bonds (distance) P-C4' energy: -167.288 flat angles C4'-P-C4' energy: -203.401 flat angles P-C4'-P energy: -129.887 tors. eta vs tors. theta energy: -254.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2661.989493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.989493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.989493 (E_RNA) where: Base-Base interactions energy: -1795.050 where: short stacking energy: -764.903 Base-Backbone interact. energy: 4.932 local terms energy: -871.871127 where: bonds (distance) C4'-P energy: -157.341 bonds (distance) P-C4' energy: -174.608 flat angles C4'-P-C4' energy: -189.365 flat angles P-C4'-P energy: -126.324 tors. eta vs tors. theta energy: -224.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2406.848185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.848185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.848185 (E_RNA) where: Base-Base interactions energy: -1560.781 where: short stacking energy: -740.217 Base-Backbone interact. energy: -1.876 local terms energy: -844.190740 where: bonds (distance) C4'-P energy: -154.979 bonds (distance) P-C4' energy: -151.744 flat angles C4'-P-C4' energy: -188.241 flat angles P-C4'-P energy: -134.962 tors. eta vs tors. theta energy: -214.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2249.153342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.153342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.153342 (E_RNA) where: Base-Base interactions energy: -1459.921 where: short stacking energy: -634.324 Base-Backbone interact. energy: -0.662 local terms energy: -788.570613 where: bonds (distance) C4'-P energy: -168.800 bonds (distance) P-C4' energy: -175.344 flat angles C4'-P-C4' energy: -182.288 flat angles P-C4'-P energy: -98.430 tors. eta vs tors. theta energy: -163.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1949.821956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.821956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.821956 (E_RNA) where: Base-Base interactions energy: -1242.133 where: short stacking energy: -579.026 Base-Backbone interact. energy: -5.531 local terms energy: -702.157829 where: bonds (distance) C4'-P energy: -147.938 bonds (distance) P-C4' energy: -158.864 flat angles C4'-P-C4' energy: -156.306 flat angles P-C4'-P energy: -105.297 tors. eta vs tors. theta energy: -133.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1371.381202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.381202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.381202 (E_RNA) where: Base-Base interactions energy: -830.982 where: short stacking energy: -395.392 Base-Backbone interact. energy: -4.260 local terms energy: -536.139026 where: bonds (distance) C4'-P energy: -136.428 bonds (distance) P-C4' energy: -150.732 flat angles C4'-P-C4' energy: -127.701 flat angles P-C4'-P energy: -84.436 tors. eta vs tors. theta energy: -36.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1044.787794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.787794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.787794 (E_RNA) where: Base-Base interactions energy: -519.911 where: short stacking energy: -287.976 Base-Backbone interact. energy: 0.167 local terms energy: -525.044068 where: bonds (distance) C4'-P energy: -137.716 bonds (distance) P-C4' energy: -145.367 flat angles C4'-P-C4' energy: -150.588 flat angles P-C4'-P energy: -76.658 tors. eta vs tors. theta energy: -14.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -687.917914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.917914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.917914 (E_RNA) where: Base-Base interactions energy: -266.511 where: short stacking energy: -172.000 Base-Backbone interact. energy: 5.038 local terms energy: -426.445183 where: bonds (distance) C4'-P energy: -132.459 bonds (distance) P-C4' energy: -153.715 flat angles C4'-P-C4' energy: -120.266 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: 52.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3194.860826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.860826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.860826 (E_RNA) where: Base-Base interactions energy: -2190.649 where: short stacking energy: -936.069 Base-Backbone interact. energy: -4.056 local terms energy: -1000.155167 where: bonds (distance) C4'-P energy: -185.459 bonds (distance) P-C4' energy: -175.928 flat angles C4'-P-C4' energy: -207.861 flat angles P-C4'-P energy: -148.235 tors. eta vs tors. theta energy: -282.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3062.077333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.077333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.077333 (E_RNA) where: Base-Base interactions energy: -2082.216 where: short stacking energy: -896.914 Base-Backbone interact. energy: -2.228 local terms energy: -977.632973 where: bonds (distance) C4'-P energy: -194.635 bonds (distance) P-C4' energy: -168.358 flat angles C4'-P-C4' energy: -222.562 flat angles P-C4'-P energy: -117.436 tors. eta vs tors. theta energy: -274.642 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: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2898.404027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.404027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.404027 (E_RNA) where: Base-Base interactions energy: -1983.328 where: short stacking energy: -820.389 Base-Backbone interact. energy: 0.430 local terms energy: -915.505933 where: bonds (distance) C4'-P energy: -176.474 bonds (distance) P-C4' energy: -167.813 flat angles C4'-P-C4' energy: -213.981 flat angles P-C4'-P energy: -119.367 tors. eta vs tors. theta energy: -237.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2599.360211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.360211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.360211 (E_RNA) where: Base-Base interactions energy: -1717.681 where: short stacking energy: -754.448 Base-Backbone interact. energy: -1.039 local terms energy: -880.640478 where: bonds (distance) C4'-P energy: -177.611 bonds (distance) P-C4' energy: -181.022 flat angles C4'-P-C4' energy: -176.688 flat angles P-C4'-P energy: -124.816 tors. eta vs tors. theta energy: -220.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2378.037414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.037414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.037414 (E_RNA) where: Base-Base interactions energy: -1545.908 where: short stacking energy: -716.640 Base-Backbone interact. energy: 1.716 local terms energy: -833.845890 where: bonds (distance) C4'-P energy: -168.396 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -187.095 flat angles P-C4'-P energy: -122.678 tors. eta vs tors. theta energy: -195.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2180.392738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.392738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.392738 (E_RNA) where: Base-Base interactions energy: -1454.672 where: short stacking energy: -661.314 Base-Backbone interact. energy: -2.118 local terms energy: -723.603157 where: bonds (distance) C4'-P energy: -138.504 bonds (distance) P-C4' energy: -137.367 flat angles C4'-P-C4' energy: -177.902 flat angles P-C4'-P energy: -108.330 tors. eta vs tors. theta energy: -161.500 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: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1922.301443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.301443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.301443 (E_RNA) where: Base-Base interactions energy: -1186.977 where: short stacking energy: -552.075 Base-Backbone interact. energy: 2.919 local terms energy: -738.243693 where: bonds (distance) C4'-P energy: -164.637 bonds (distance) P-C4' energy: -166.353 flat angles C4'-P-C4' energy: -170.284 flat angles P-C4'-P energy: -116.059 tors. eta vs tors. theta energy: -120.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1417.240934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.240934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.240934 (E_RNA) where: Base-Base interactions energy: -794.911 where: short stacking energy: -387.628 Base-Backbone interact. energy: 1.126 local terms energy: -623.455727 where: bonds (distance) C4'-P energy: -148.886 bonds (distance) P-C4' energy: -162.331 flat angles C4'-P-C4' energy: -155.776 flat angles P-C4'-P energy: -82.389 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: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1027.264829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.264829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.264829 (E_RNA) where: Base-Base interactions energy: -489.758 where: short stacking energy: -257.379 Base-Backbone interact. energy: 0.169 local terms energy: -537.675575 where: bonds (distance) C4'-P energy: -168.798 bonds (distance) P-C4' energy: -160.655 flat angles C4'-P-C4' energy: -140.039 flat angles P-C4'-P energy: -67.405 tors. eta vs tors. theta energy: -0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -673.403064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.403064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.403064 (E_RNA) where: Base-Base interactions energy: -210.716 where: short stacking energy: -174.196 Base-Backbone interact. energy: -2.213 local terms energy: -460.474070 where: bonds (distance) C4'-P energy: -136.193 bonds (distance) P-C4' energy: -153.397 flat angles C4'-P-C4' energy: -128.666 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: 25.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3168.983164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.983164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.983164 (E_RNA) where: Base-Base interactions energy: -2162.809 where: short stacking energy: -906.792 Base-Backbone interact. energy: -3.886 local terms energy: -1002.288476 where: bonds (distance) C4'-P energy: -187.074 bonds (distance) P-C4' energy: -193.261 flat angles C4'-P-C4' energy: -218.920 flat angles P-C4'-P energy: -127.260 tors. eta vs tors. theta energy: -275.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3030.801461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.801461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.801461 (E_RNA) where: Base-Base interactions energy: -2070.756 where: short stacking energy: -869.055 Base-Backbone interact. energy: -1.324 local terms energy: -958.721140 where: bonds (distance) C4'-P energy: -166.899 bonds (distance) P-C4' energy: -176.630 flat angles C4'-P-C4' energy: -204.059 flat angles P-C4'-P energy: -141.875 tors. eta vs tors. theta energy: -269.258 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: 464 Temperature: 1.000000 Total energy: -2889.075484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.075484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.075484 (E_RNA) where: Base-Base interactions energy: -2003.304 where: short stacking energy: -855.780 Base-Backbone interact. energy: 2.403 local terms energy: -888.174172 where: bonds (distance) C4'-P energy: -169.332 bonds (distance) P-C4' energy: -174.627 flat angles C4'-P-C4' energy: -184.719 flat angles P-C4'-P energy: -118.403 tors. eta vs tors. theta energy: -241.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2666.067289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.067289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.067289 (E_RNA) where: Base-Base interactions energy: -1831.542 where: short stacking energy: -787.123 Base-Backbone interact. energy: 0.477 local terms energy: -835.002456 where: bonds (distance) C4'-P energy: -161.829 bonds (distance) P-C4' energy: -122.676 flat angles C4'-P-C4' energy: -186.903 flat angles P-C4'-P energy: -128.615 tors. eta vs tors. theta energy: -234.980 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: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2355.259480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.259480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.259480 (E_RNA) where: Base-Base interactions energy: -1550.352 where: short stacking energy: -681.172 Base-Backbone interact. energy: 3.657 local terms energy: -808.565092 where: bonds (distance) C4'-P energy: -155.964 bonds (distance) P-C4' energy: -168.177 flat angles C4'-P-C4' energy: -169.591 flat angles P-C4'-P energy: -129.473 tors. eta vs tors. theta energy: -185.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2176.936243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.936243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.936243 (E_RNA) where: Base-Base interactions energy: -1430.845 where: short stacking energy: -640.781 Base-Backbone interact. energy: -2.350 local terms energy: -743.741868 where: bonds (distance) C4'-P energy: -145.154 bonds (distance) P-C4' energy: -171.728 flat angles C4'-P-C4' energy: -177.268 flat angles P-C4'-P energy: -91.330 tors. eta vs tors. theta energy: -158.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1956.246757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.246757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.246757 (E_RNA) where: Base-Base interactions energy: -1259.510 where: short stacking energy: -544.725 Base-Backbone interact. energy: -4.744 local terms energy: -691.992059 where: bonds (distance) C4'-P energy: -129.239 bonds (distance) P-C4' energy: -165.028 flat angles C4'-P-C4' energy: -164.920 flat angles P-C4'-P energy: -92.021 tors. eta vs tors. theta energy: -140.784 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: 3 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1364.410753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.410753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.410753 (E_RNA) where: Base-Base interactions energy: -795.296 where: short stacking energy: -362.700 Base-Backbone interact. energy: -0.656 local terms energy: -568.458651 where: bonds (distance) C4'-P energy: -154.150 bonds (distance) P-C4' energy: -164.059 flat angles C4'-P-C4' energy: -149.171 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -23.263 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: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1013.604329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.604329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.604329 (E_RNA) where: Base-Base interactions energy: -510.826 where: short stacking energy: -291.731 Base-Backbone interact. energy: -1.499 local terms energy: -501.279719 where: bonds (distance) C4'-P energy: -136.912 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -123.390 flat angles P-C4'-P energy: -83.201 tors. eta vs tors. theta energy: -11.266 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -694.571727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.571727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.571727 (E_RNA) where: Base-Base interactions energy: -291.386 where: short stacking energy: -208.780 Base-Backbone interact. energy: -0.101 local terms energy: -403.084705 where: bonds (distance) C4'-P energy: -125.587 bonds (distance) P-C4' energy: -150.043 flat angles C4'-P-C4' energy: -105.767 flat angles P-C4'-P energy: -54.701 tors. eta vs tors. theta energy: 33.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3166.223072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.223072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.223072 (E_RNA) where: Base-Base interactions energy: -2179.098 where: short stacking energy: -934.286 Base-Backbone interact. energy: -1.198 local terms energy: -985.927220 where: bonds (distance) C4'-P energy: -198.020 bonds (distance) P-C4' energy: -179.264 flat angles C4'-P-C4' energy: -203.521 flat angles P-C4'-P energy: -138.702 tors. eta vs tors. theta energy: -266.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3044.048202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.048202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.048202 (E_RNA) where: Base-Base interactions energy: -2077.703 where: short stacking energy: -883.991 Base-Backbone interact. energy: -3.013 local terms energy: -963.332286 where: bonds (distance) C4'-P energy: -177.752 bonds (distance) P-C4' energy: -184.616 flat angles C4'-P-C4' energy: -199.028 flat angles P-C4'-P energy: -136.507 tors. eta vs tors. theta energy: -265.428 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: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2879.710007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.710007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.710007 (E_RNA) where: Base-Base interactions energy: -1993.142 where: short stacking energy: -865.989 Base-Backbone interact. energy: -2.992 local terms energy: -883.575866 where: bonds (distance) C4'-P energy: -145.529 bonds (distance) P-C4' energy: -177.605 flat angles C4'-P-C4' energy: -196.632 flat angles P-C4'-P energy: -118.245 tors. eta vs tors. theta energy: -245.565 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: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2687.375959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.375959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.375959 (E_RNA) where: Base-Base interactions energy: -1808.712 where: short stacking energy: -792.330 Base-Backbone interact. energy: 2.940 local terms energy: -881.604434 where: bonds (distance) C4'-P energy: -167.034 bonds (distance) P-C4' energy: -150.145 flat angles C4'-P-C4' energy: -192.314 flat angles P-C4'-P energy: -138.040 tors. eta vs tors. theta energy: -234.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2393.083530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.083530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.083530 (E_RNA) where: Base-Base interactions energy: -1568.848 where: short stacking energy: -724.129 Base-Backbone interact. energy: -1.502 local terms energy: -822.733245 where: bonds (distance) C4'-P energy: -155.638 bonds (distance) P-C4' energy: -172.999 flat angles C4'-P-C4' energy: -185.170 flat angles P-C4'-P energy: -108.326 tors. eta vs tors. theta energy: -200.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2125.156374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.156374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.156374 (E_RNA) where: Base-Base interactions energy: -1387.394 where: short stacking energy: -623.246 Base-Backbone interact. energy: -2.709 local terms energy: -735.052697 where: bonds (distance) C4'-P energy: -142.992 bonds (distance) P-C4' energy: -154.557 flat angles C4'-P-C4' energy: -166.830 flat angles P-C4'-P energy: -122.847 tors. eta vs tors. theta energy: -147.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1904.364056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.364056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.364056 (E_RNA) where: Base-Base interactions energy: -1198.644 where: short stacking energy: -559.785 Base-Backbone interact. energy: -0.213 local terms energy: -705.506349 where: bonds (distance) C4'-P energy: -148.032 bonds (distance) P-C4' energy: -167.974 flat angles C4'-P-C4' energy: -178.291 flat angles P-C4'-P energy: -90.118 tors. eta vs tors. theta energy: -121.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1327.603666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.603666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.603666 (E_RNA) where: Base-Base interactions energy: -763.409 where: short stacking energy: -366.707 Base-Backbone interact. energy: 0.102 local terms energy: -564.296937 where: bonds (distance) C4'-P energy: -127.864 bonds (distance) P-C4' energy: -159.139 flat angles C4'-P-C4' energy: -159.856 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -19.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1036.557834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.557834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.557834 (E_RNA) where: Base-Base interactions energy: -513.120 where: short stacking energy: -310.277 Base-Backbone interact. energy: -0.239 local terms energy: -523.198367 where: bonds (distance) C4'-P energy: -150.754 bonds (distance) P-C4' energy: -148.148 flat angles C4'-P-C4' energy: -138.314 flat angles P-C4'-P energy: -78.152 tors. eta vs tors. theta energy: -7.830 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: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -674.877765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.877765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.877765 (E_RNA) where: Base-Base interactions energy: -239.404 where: short stacking energy: -182.449 Base-Backbone interact. energy: 2.384 local terms energy: -437.857618 where: bonds (distance) C4'-P energy: -138.241 bonds (distance) P-C4' energy: -147.259 flat angles C4'-P-C4' energy: -130.969 flat angles P-C4'-P energy: -57.945 tors. eta vs tors. theta energy: 36.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3187.620027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.620027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.620027 (E_RNA) where: Base-Base interactions energy: -2187.725 where: short stacking energy: -935.046 Base-Backbone interact. energy: -3.072 local terms energy: -996.822932 where: bonds (distance) C4'-P energy: -177.505 bonds (distance) P-C4' energy: -178.064 flat angles C4'-P-C4' energy: -208.258 flat angles P-C4'-P energy: -155.781 tors. eta vs tors. theta energy: -277.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -3055.471606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.471606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.471606 (E_RNA) where: Base-Base interactions energy: -2081.228 where: short stacking energy: -877.211 Base-Backbone interact. energy: 0.256 local terms energy: -974.500220 where: bonds (distance) C4'-P energy: -176.783 bonds (distance) P-C4' energy: -178.349 flat angles C4'-P-C4' energy: -208.619 flat angles P-C4'-P energy: -140.249 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: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2892.742105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.742105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.742105 (E_RNA) where: Base-Base interactions energy: -1998.197 where: short stacking energy: -836.278 Base-Backbone interact. energy: -2.834 local terms energy: -891.711441 where: bonds (distance) C4'-P energy: -162.859 bonds (distance) P-C4' energy: -170.447 flat angles C4'-P-C4' energy: -190.697 flat angles P-C4'-P energy: -120.018 tors. eta vs tors. theta energy: -247.690 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: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2699.469729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.469729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.469729 (E_RNA) where: Base-Base interactions energy: -1808.007 where: short stacking energy: -793.405 Base-Backbone interact. energy: -1.532 local terms energy: -889.930680 where: bonds (distance) C4'-P energy: -165.221 bonds (distance) P-C4' energy: -173.996 flat angles C4'-P-C4' energy: -190.455 flat angles P-C4'-P energy: -121.739 tors. eta vs tors. theta energy: -238.519 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: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2385.230014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.230014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.230014 (E_RNA) where: Base-Base interactions energy: -1609.074 where: short stacking energy: -695.203 Base-Backbone interact. energy: -2.976 local terms energy: -773.180686 where: bonds (distance) C4'-P energy: -151.860 bonds (distance) P-C4' energy: -165.144 flat angles C4'-P-C4' energy: -176.320 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -182.471 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: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2115.581442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.581442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.581442 (E_RNA) where: Base-Base interactions energy: -1406.560 where: short stacking energy: -601.193 Base-Backbone interact. energy: -1.358 local terms energy: -707.664222 where: bonds (distance) C4'-P energy: -163.340 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -173.378 flat angles P-C4'-P energy: -87.884 tors. eta vs tors. theta energy: -140.110 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: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1940.466975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.466975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.466975 (E_RNA) where: Base-Base interactions energy: -1261.086 where: short stacking energy: -569.614 Base-Backbone interact. energy: -2.232 local terms energy: -677.148294 where: bonds (distance) C4'-P energy: -143.437 bonds (distance) P-C4' energy: -143.533 flat angles C4'-P-C4' energy: -169.391 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -123.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1351.611590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.611590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.611590 (E_RNA) where: Base-Base interactions energy: -814.147 where: short stacking energy: -384.848 Base-Backbone interact. energy: 9.361 local terms energy: -546.825806 where: bonds (distance) C4'-P energy: -148.755 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -159.548 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: -37.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1004.852983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.852983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.852983 (E_RNA) where: Base-Base interactions energy: -487.801 where: short stacking energy: -283.904 Base-Backbone interact. energy: 2.316 local terms energy: -519.367861 where: bonds (distance) C4'-P energy: -159.005 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -149.510 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -681.293799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.293799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.293799 (E_RNA) where: Base-Base interactions energy: -233.693 where: short stacking energy: -166.617 Base-Backbone interact. energy: 4.670 local terms energy: -452.270100 where: bonds (distance) C4'-P energy: -134.065 bonds (distance) P-C4' energy: -164.979 flat angles C4'-P-C4' energy: -132.040 flat angles P-C4'-P energy: -62.221 tors. eta vs tors. theta energy: 41.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3146.520902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.520902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.520902 (E_RNA) where: Base-Base interactions energy: -2156.870 where: short stacking energy: -899.138 Base-Backbone interact. energy: -3.332 local terms energy: -986.319661 where: bonds (distance) C4'-P energy: -183.085 bonds (distance) P-C4' energy: -183.742 flat angles C4'-P-C4' energy: -214.757 flat angles P-C4'-P energy: -147.563 tors. eta vs tors. theta energy: -257.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3080.563002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.563002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.563002 (E_RNA) where: Base-Base interactions energy: -2119.424 where: short stacking energy: -920.116 Base-Backbone interact. energy: -1.644 local terms energy: -959.495440 where: bonds (distance) C4'-P energy: -163.728 bonds (distance) P-C4' energy: -190.274 flat angles C4'-P-C4' energy: -204.921 flat angles P-C4'-P energy: -130.118 tors. eta vs tors. theta energy: -270.454 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: 467 Temperature: 1.000000 Total energy: -2913.944773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.944773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.944773 (E_RNA) where: Base-Base interactions energy: -2022.282 where: short stacking energy: -813.608 Base-Backbone interact. energy: -3.975 local terms energy: -887.687651 where: bonds (distance) C4'-P energy: -160.873 bonds (distance) P-C4' energy: -164.813 flat angles C4'-P-C4' energy: -190.257 flat angles P-C4'-P energy: -128.680 tors. eta vs tors. theta energy: -243.065 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: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2698.837576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.837576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.837576 (E_RNA) where: Base-Base interactions energy: -1805.875 where: short stacking energy: -794.144 Base-Backbone interact. energy: -2.460 local terms energy: -890.502424 where: bonds (distance) C4'-P energy: -165.017 bonds (distance) P-C4' energy: -164.898 flat angles C4'-P-C4' energy: -195.019 flat angles P-C4'-P energy: -135.876 tors. eta vs tors. theta energy: -229.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2371.733446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.733446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.733446 (E_RNA) where: Base-Base interactions energy: -1573.363 where: short stacking energy: -694.580 Base-Backbone interact. energy: -1.057 local terms energy: -797.313917 where: bonds (distance) C4'-P energy: -144.117 bonds (distance) P-C4' energy: -168.831 flat angles C4'-P-C4' energy: -182.278 flat angles P-C4'-P energy: -119.563 tors. eta vs tors. theta energy: -182.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2152.931295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.931295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.931295 (E_RNA) where: Base-Base interactions energy: -1385.702 where: short stacking energy: -612.584 Base-Backbone interact. energy: 1.053 local terms energy: -768.282982 where: bonds (distance) C4'-P energy: -165.482 bonds (distance) P-C4' energy: -160.152 flat angles C4'-P-C4' energy: -185.644 flat angles P-C4'-P energy: -116.199 tors. eta vs tors. theta energy: -140.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1969.606413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.606413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.606413 (E_RNA) where: Base-Base interactions energy: -1252.587 where: short stacking energy: -560.265 Base-Backbone interact. energy: 1.218 local terms energy: -718.237578 where: bonds (distance) C4'-P energy: -165.278 bonds (distance) P-C4' energy: -156.882 flat angles C4'-P-C4' energy: -173.239 flat angles P-C4'-P energy: -82.492 tors. eta vs tors. theta energy: -140.347 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: 467 Temperature: 1.250000 Total energy: -1297.875339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.875339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.875339 (E_RNA) where: Base-Base interactions energy: -712.958 where: short stacking energy: -349.530 Base-Backbone interact. energy: -5.615 local terms energy: -579.302231 where: bonds (distance) C4'-P energy: -164.244 bonds (distance) P-C4' energy: -148.043 flat angles C4'-P-C4' energy: -161.373 flat angles P-C4'-P energy: -83.395 tors. eta vs tors. theta energy: -22.247 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: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -980.782482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.782482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.782482 (E_RNA) where: Base-Base interactions energy: -450.336 where: short stacking energy: -264.855 Base-Backbone interact. energy: -2.076 local terms energy: -528.370614 where: bonds (distance) C4'-P energy: -149.359 bonds (distance) P-C4' energy: -149.730 flat angles C4'-P-C4' energy: -111.452 flat angles P-C4'-P energy: -94.173 tors. eta vs tors. theta energy: -23.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -723.160223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.160223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.160223 (E_RNA) where: Base-Base interactions energy: -301.149 where: short stacking energy: -189.004 Base-Backbone interact. energy: 3.930 local terms energy: -425.940482 where: bonds (distance) C4'-P energy: -123.537 bonds (distance) P-C4' energy: -149.815 flat angles C4'-P-C4' energy: -114.683 flat angles P-C4'-P energy: -82.640 tors. eta vs tors. theta energy: 44.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3166.586643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.586643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.586643 (E_RNA) where: Base-Base interactions energy: -2180.261 where: short stacking energy: -960.857 Base-Backbone interact. energy: 0.775 local terms energy: -987.100879 where: bonds (distance) C4'-P energy: -161.092 bonds (distance) P-C4' energy: -192.063 flat angles C4'-P-C4' energy: -222.480 flat angles P-C4'-P energy: -131.693 tors. eta vs tors. theta energy: -279.772 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: 468 Temperature: 0.950000 Total energy: -3067.233094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.233094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.233094 (E_RNA) where: Base-Base interactions energy: -2108.373 where: short stacking energy: -883.320 Base-Backbone interact. energy: -3.606 local terms energy: -955.253235 where: bonds (distance) C4'-P energy: -175.235 bonds (distance) P-C4' energy: -183.172 flat angles C4'-P-C4' energy: -209.257 flat angles P-C4'-P energy: -123.815 tors. eta vs tors. theta energy: -263.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2935.483323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.483323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.483323 (E_RNA) where: Base-Base interactions energy: -2008.079 where: short stacking energy: -813.276 Base-Backbone interact. energy: -1.281 local terms energy: -926.123020 where: bonds (distance) C4'-P energy: -167.464 bonds (distance) P-C4' energy: -176.834 flat angles C4'-P-C4' energy: -200.649 flat angles P-C4'-P energy: -138.105 tors. eta vs tors. theta energy: -243.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2649.187301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.187301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.187301 (E_RNA) where: Base-Base interactions energy: -1792.427 where: short stacking energy: -785.600 Base-Backbone interact. energy: -2.895 local terms energy: -853.865460 where: bonds (distance) C4'-P energy: -145.043 bonds (distance) P-C4' energy: -165.917 flat angles C4'-P-C4' energy: -191.586 flat angles P-C4'-P energy: -115.322 tors. eta vs tors. theta energy: -235.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2361.027446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.027446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.027446 (E_RNA) where: Base-Base interactions energy: -1546.603 where: short stacking energy: -687.244 Base-Backbone interact. energy: -2.497 local terms energy: -811.927305 where: bonds (distance) C4'-P energy: -154.218 bonds (distance) P-C4' energy: -166.390 flat angles C4'-P-C4' energy: -185.337 flat angles P-C4'-P energy: -112.596 tors. eta vs tors. theta energy: -193.386 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: 468 Temperature: 1.150000 Total energy: -2175.862638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.862638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.862638 (E_RNA) where: Base-Base interactions energy: -1416.475 where: short stacking energy: -621.882 Base-Backbone interact. energy: 3.478 local terms energy: -762.866073 where: bonds (distance) C4'-P energy: -151.231 bonds (distance) P-C4' energy: -167.359 flat angles C4'-P-C4' energy: -180.977 flat angles P-C4'-P energy: -118.797 tors. eta vs tors. theta energy: -144.502 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: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1998.588247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.588247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.588247 (E_RNA) where: Base-Base interactions energy: -1269.577 where: short stacking energy: -573.667 Base-Backbone interact. energy: 2.431 local terms energy: -731.441670 where: bonds (distance) C4'-P energy: -153.448 bonds (distance) P-C4' energy: -175.549 flat angles C4'-P-C4' energy: -157.274 flat angles P-C4'-P energy: -107.278 tors. eta vs tors. theta energy: -137.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1283.548473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.548473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.548473 (E_RNA) where: Base-Base interactions energy: -725.500 where: short stacking energy: -339.400 Base-Backbone interact. energy: 2.002 local terms energy: -560.051164 where: bonds (distance) C4'-P energy: -136.032 bonds (distance) P-C4' energy: -164.918 flat angles C4'-P-C4' energy: -135.288 flat angles P-C4'-P energy: -100.119 tors. eta vs tors. theta energy: -23.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -997.382514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.382514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.382514 (E_RNA) where: Base-Base interactions energy: -452.538 where: short stacking energy: -268.862 Base-Backbone interact. energy: -2.486 local terms energy: -542.359185 where: bonds (distance) C4'-P energy: -155.178 bonds (distance) P-C4' energy: -146.854 flat angles C4'-P-C4' energy: -142.276 flat angles P-C4'-P energy: -76.515 tors. eta vs tors. theta energy: -21.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -678.262873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.262873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.262873 (E_RNA) where: Base-Base interactions energy: -246.854 where: short stacking energy: -182.176 Base-Backbone interact. energy: 3.327 local terms energy: -434.735793 where: bonds (distance) C4'-P energy: -149.946 bonds (distance) P-C4' energy: -129.130 flat angles C4'-P-C4' energy: -147.081 flat angles P-C4'-P energy: -69.945 tors. eta vs tors. theta energy: 61.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3159.553559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.553559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.553559 (E_RNA) where: Base-Base interactions energy: -2184.487 where: short stacking energy: -908.503 Base-Backbone interact. energy: -2.902 local terms energy: -972.164158 where: bonds (distance) C4'-P energy: -180.471 bonds (distance) P-C4' energy: -189.225 flat angles C4'-P-C4' energy: -213.010 flat angles P-C4'-P energy: -116.076 tors. eta vs tors. theta energy: -273.382 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: 469 Temperature: 0.950000 Total energy: -3050.341939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.341939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.341939 (E_RNA) where: Base-Base interactions energy: -2101.579 where: short stacking energy: -900.601 Base-Backbone interact. energy: -4.928 local terms energy: -943.834511 where: bonds (distance) C4'-P energy: -174.097 bonds (distance) P-C4' energy: -162.882 flat angles C4'-P-C4' energy: -204.315 flat angles P-C4'-P energy: -133.780 tors. eta vs tors. theta energy: -268.760 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: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2946.679717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.679717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.679717 (E_RNA) where: Base-Base interactions energy: -2030.462 where: short stacking energy: -859.355 Base-Backbone interact. energy: -1.500 local terms energy: -914.717915 where: bonds (distance) C4'-P energy: -170.381 bonds (distance) P-C4' energy: -171.897 flat angles C4'-P-C4' energy: -210.170 flat angles P-C4'-P energy: -127.835 tors. eta vs tors. theta energy: -234.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2652.306196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.306196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.306196 (E_RNA) where: Base-Base interactions energy: -1754.111 where: short stacking energy: -770.786 Base-Backbone interact. energy: 0.982 local terms energy: -899.176750 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -189.482 flat angles C4'-P-C4' energy: -190.400 flat angles P-C4'-P energy: -120.388 tors. eta vs tors. theta energy: -227.627 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: 469 Temperature: 1.100000 Total energy: -2302.043250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.043250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.043250 (E_RNA) where: Base-Base interactions energy: -1510.100 where: short stacking energy: -656.748 Base-Backbone interact. energy: -0.795 local terms energy: -791.148361 where: bonds (distance) C4'-P energy: -158.624 bonds (distance) P-C4' energy: -149.116 flat angles C4'-P-C4' energy: -174.660 flat angles P-C4'-P energy: -131.206 tors. eta vs tors. theta energy: -177.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2220.389366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.389366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.389366 (E_RNA) where: Base-Base interactions energy: -1471.987 where: short stacking energy: -625.231 Base-Backbone interact. energy: -2.714 local terms energy: -745.688204 where: bonds (distance) C4'-P energy: -149.459 bonds (distance) P-C4' energy: -157.135 flat angles C4'-P-C4' energy: -184.429 flat angles P-C4'-P energy: -89.979 tors. eta vs tors. theta energy: -164.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1994.633440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.633440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.633440 (E_RNA) where: Base-Base interactions energy: -1239.576 where: short stacking energy: -530.884 Base-Backbone interact. energy: -0.519 local terms energy: -754.538572 where: bonds (distance) C4'-P energy: -156.758 bonds (distance) P-C4' energy: -174.992 flat angles C4'-P-C4' energy: -158.267 flat angles P-C4'-P energy: -113.518 tors. eta vs tors. theta energy: -151.003 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: 469 Temperature: 1.250000 Total energy: -1316.591447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.591447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.591447 (E_RNA) where: Base-Base interactions energy: -746.428 where: short stacking energy: -384.858 Base-Backbone interact. energy: -1.184 local terms energy: -568.980188 where: bonds (distance) C4'-P energy: -141.890 bonds (distance) P-C4' energy: -149.688 flat angles C4'-P-C4' energy: -154.493 flat angles P-C4'-P energy: -79.953 tors. eta vs tors. theta energy: -42.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1024.049524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.049524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.049524 (E_RNA) where: Base-Base interactions energy: -486.993 where: short stacking energy: -264.741 Base-Backbone interact. energy: 3.692 local terms energy: -540.748555 where: bonds (distance) C4'-P energy: -145.402 bonds (distance) P-C4' energy: -159.789 flat angles C4'-P-C4' energy: -151.749 flat angles P-C4'-P energy: -55.719 tors. eta vs tors. theta energy: -28.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -707.824203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.824203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.824203 (E_RNA) where: Base-Base interactions energy: -290.551 where: short stacking energy: -195.767 Base-Backbone interact. energy: 0.812 local terms energy: -418.084624 where: bonds (distance) C4'-P energy: -118.608 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -121.856 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: 32.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3155.319477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.319477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.319477 (E_RNA) where: Base-Base interactions energy: -2190.378 where: short stacking energy: -933.526 Base-Backbone interact. energy: -1.090 local terms energy: -963.851242 where: bonds (distance) C4'-P energy: -176.032 bonds (distance) P-C4' energy: -181.091 flat angles C4'-P-C4' energy: -205.857 flat angles P-C4'-P energy: -141.075 tors. eta vs tors. theta energy: -259.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3024.407114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.407114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.407114 (E_RNA) where: Base-Base interactions energy: -2043.748 where: short stacking energy: -903.103 Base-Backbone interact. energy: -1.065 local terms energy: -979.594857 where: bonds (distance) C4'-P energy: -184.955 bonds (distance) P-C4' energy: -189.075 flat angles C4'-P-C4' energy: -188.177 flat angles P-C4'-P energy: -145.115 tors. eta vs tors. theta energy: -272.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2910.638227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.638227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.638227 (E_RNA) where: Base-Base interactions energy: -2010.769 where: short stacking energy: -857.140 Base-Backbone interact. energy: -4.876 local terms energy: -894.993587 where: bonds (distance) C4'-P energy: -153.929 bonds (distance) P-C4' energy: -171.790 flat angles C4'-P-C4' energy: -197.075 flat angles P-C4'-P energy: -131.028 tors. eta vs tors. theta energy: -241.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2606.444002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.444002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.444002 (E_RNA) where: Base-Base interactions energy: -1756.445 where: short stacking energy: -765.974 Base-Backbone interact. energy: 1.322 local terms energy: -851.321654 where: bonds (distance) C4'-P energy: -148.590 bonds (distance) P-C4' energy: -199.085 flat angles C4'-P-C4' energy: -182.514 flat angles P-C4'-P energy: -107.006 tors. eta vs tors. theta energy: -214.127 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: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2349.525692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.525692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.525692 (E_RNA) where: Base-Base interactions energy: -1524.501 where: short stacking energy: -685.768 Base-Backbone interact. energy: 0.385 local terms energy: -825.409235 where: bonds (distance) C4'-P energy: -140.526 bonds (distance) P-C4' energy: -176.514 flat angles C4'-P-C4' energy: -187.530 flat angles P-C4'-P energy: -133.089 tors. eta vs tors. theta energy: -187.750 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: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2184.580580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.580580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.580580 (E_RNA) where: Base-Base interactions energy: -1427.394 where: short stacking energy: -607.056 Base-Backbone interact. energy: 0.600 local terms energy: -757.786837 where: bonds (distance) C4'-P energy: -163.619 bonds (distance) P-C4' energy: -157.451 flat angles C4'-P-C4' energy: -180.270 flat angles P-C4'-P energy: -109.817 tors. eta vs tors. theta energy: -146.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1898.314842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.314842 (E_RNA) where: Base-Base interactions energy: -1264.253 where: short stacking energy: -534.754 Base-Backbone interact. energy: 3.632 local terms energy: -637.693865 where: bonds (distance) C4'-P energy: -132.648 bonds (distance) P-C4' energy: -143.851 flat angles C4'-P-C4' energy: -158.479 flat angles P-C4'-P energy: -80.210 tors. eta vs tors. theta energy: -122.506 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: 3 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1366.371136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.371136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.371136 (E_RNA) where: Base-Base interactions energy: -817.086 where: short stacking energy: -423.708 Base-Backbone interact. energy: 9.652 local terms energy: -558.937239 where: bonds (distance) C4'-P energy: -127.898 bonds (distance) P-C4' energy: -151.268 flat angles C4'-P-C4' energy: -153.269 flat angles P-C4'-P energy: -83.078 tors. eta vs tors. theta energy: -43.424 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: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -998.620742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.620742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.620742 (E_RNA) where: Base-Base interactions energy: -526.865 where: short stacking energy: -279.542 Base-Backbone interact. energy: 9.433 local terms energy: -481.188751 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -138.189 flat angles C4'-P-C4' energy: -116.778 flat angles P-C4'-P energy: -107.924 tors. eta vs tors. theta energy: 3.402 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -697.741720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.741720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.741720 (E_RNA) where: Base-Base interactions energy: -255.967 where: short stacking energy: -179.628 Base-Backbone interact. energy: 3.508 local terms energy: -445.281987 where: bonds (distance) C4'-P energy: -135.536 bonds (distance) P-C4' energy: -160.407 flat angles C4'-P-C4' energy: -111.578 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: 33.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3159.192938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.192938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.192938 (E_RNA) where: Base-Base interactions energy: -2175.266 where: short stacking energy: -921.038 Base-Backbone interact. energy: -5.233 local terms energy: -978.693551 where: bonds (distance) C4'-P energy: -178.117 bonds (distance) P-C4' energy: -173.019 flat angles C4'-P-C4' energy: -201.112 flat angles P-C4'-P energy: -153.215 tors. eta vs tors. theta energy: -273.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3061.411581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.411581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.411581 (E_RNA) where: Base-Base interactions energy: -2119.153 where: short stacking energy: -897.183 Base-Backbone interact. energy: -4.018 local terms energy: -938.240306 where: bonds (distance) C4'-P energy: -173.961 bonds (distance) P-C4' energy: -174.715 flat angles C4'-P-C4' energy: -208.025 flat angles P-C4'-P energy: -109.947 tors. eta vs tors. theta energy: -271.592 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: 6 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2876.136765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.136765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.136765 (E_RNA) where: Base-Base interactions energy: -2025.641 where: short stacking energy: -814.256 Base-Backbone interact. energy: -4.770 local terms energy: -845.725075 where: bonds (distance) C4'-P energy: -170.187 bonds (distance) P-C4' energy: -144.404 flat angles C4'-P-C4' energy: -196.106 flat angles P-C4'-P energy: -115.529 tors. eta vs tors. theta energy: -219.499 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: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2627.368479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.368479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.368479 (E_RNA) where: Base-Base interactions energy: -1775.904 where: short stacking energy: -772.814 Base-Backbone interact. energy: -5.119 local terms energy: -846.345499 where: bonds (distance) C4'-P energy: -158.089 bonds (distance) P-C4' energy: -174.773 flat angles C4'-P-C4' energy: -179.491 flat angles P-C4'-P energy: -110.106 tors. eta vs tors. theta energy: -223.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2424.050599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.050599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.050599 (E_RNA) where: Base-Base interactions energy: -1572.959 where: short stacking energy: -707.798 Base-Backbone interact. energy: -2.099 local terms energy: -848.992228 where: bonds (distance) C4'-P energy: -154.583 bonds (distance) P-C4' energy: -170.106 flat angles C4'-P-C4' energy: -190.343 flat angles P-C4'-P energy: -133.861 tors. eta vs tors. theta energy: -200.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2189.521462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.521462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.521462 (E_RNA) where: Base-Base interactions energy: -1461.898 where: short stacking energy: -650.237 Base-Backbone interact. energy: -2.544 local terms energy: -725.078477 where: bonds (distance) C4'-P energy: -150.475 bonds (distance) P-C4' energy: -162.461 flat angles C4'-P-C4' energy: -159.341 flat angles P-C4'-P energy: -95.991 tors. eta vs tors. theta energy: -156.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1934.883894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.883894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.883894 (E_RNA) where: Base-Base interactions energy: -1233.052 where: short stacking energy: -568.762 Base-Backbone interact. energy: 1.524 local terms energy: -703.356143 where: bonds (distance) C4'-P energy: -145.275 bonds (distance) P-C4' energy: -147.133 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -109.488 tors. eta vs tors. theta energy: -143.289 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: 471 Temperature: 1.250000 Total energy: -1403.570283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.570283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.570283 (E_RNA) where: Base-Base interactions energy: -824.638 where: short stacking energy: -405.634 Base-Backbone interact. energy: 3.255 local terms energy: -582.187400 where: bonds (distance) C4'-P energy: -146.655 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -155.708 flat angles P-C4'-P energy: -90.556 tors. eta vs tors. theta energy: -44.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1023.987038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.987038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.987038 (E_RNA) where: Base-Base interactions energy: -489.541 where: short stacking energy: -247.518 Base-Backbone interact. energy: 1.705 local terms energy: -536.151749 where: bonds (distance) C4'-P energy: -161.947 bonds (distance) P-C4' energy: -168.220 flat angles C4'-P-C4' energy: -140.848 flat angles P-C4'-P energy: -79.730 tors. eta vs tors. theta energy: 14.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -708.623790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.623790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.623790 (E_RNA) where: Base-Base interactions energy: -257.317 where: short stacking energy: -183.469 Base-Backbone interact. energy: -0.196 local terms energy: -451.111344 where: bonds (distance) C4'-P energy: -141.610 bonds (distance) P-C4' energy: -156.557 flat angles C4'-P-C4' energy: -107.774 flat angles P-C4'-P energy: -77.588 tors. eta vs tors. theta energy: 32.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3168.289918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.289918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.289918 (E_RNA) where: Base-Base interactions energy: -2194.913 where: short stacking energy: -944.930 Base-Backbone interact. energy: -4.965 local terms energy: -968.411650 where: bonds (distance) C4'-P energy: -158.275 bonds (distance) P-C4' energy: -180.642 flat angles C4'-P-C4' energy: -203.773 flat angles P-C4'-P energy: -149.119 tors. eta vs tors. theta energy: -276.602 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: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3058.112932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.112932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.112932 (E_RNA) where: Base-Base interactions energy: -2073.495 where: short stacking energy: -878.155 Base-Backbone interact. energy: -4.097 local terms energy: -980.521319 where: bonds (distance) C4'-P energy: -186.973 bonds (distance) P-C4' energy: -166.584 flat angles C4'-P-C4' energy: -219.228 flat angles P-C4'-P energy: -141.840 tors. eta vs tors. theta energy: -265.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2890.393007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.393007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.393007 (E_RNA) where: Base-Base interactions energy: -1970.935 where: short stacking energy: -810.699 Base-Backbone interact. energy: -3.804 local terms energy: -915.654313 where: bonds (distance) C4'-P energy: -190.107 bonds (distance) P-C4' energy: -170.260 flat angles C4'-P-C4' energy: -190.326 flat angles P-C4'-P energy: -132.849 tors. eta vs tors. theta energy: -232.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2623.754705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.754705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.754705 (E_RNA) where: Base-Base interactions energy: -1757.445 where: short stacking energy: -781.994 Base-Backbone interact. energy: -2.095 local terms energy: -864.215158 where: bonds (distance) C4'-P energy: -163.265 bonds (distance) P-C4' energy: -167.306 flat angles C4'-P-C4' energy: -194.792 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -220.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2358.732260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.732260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.732260 (E_RNA) where: Base-Base interactions energy: -1525.772 where: short stacking energy: -702.081 Base-Backbone interact. energy: -0.087 local terms energy: -832.873449 where: bonds (distance) C4'-P energy: -150.364 bonds (distance) P-C4' energy: -171.190 flat angles C4'-P-C4' energy: -197.819 flat angles P-C4'-P energy: -113.856 tors. eta vs tors. theta energy: -199.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2125.253013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.253013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.253013 (E_RNA) where: Base-Base interactions energy: -1381.161 where: short stacking energy: -614.358 Base-Backbone interact. energy: 5.168 local terms energy: -749.259849 where: bonds (distance) C4'-P energy: -159.320 bonds (distance) P-C4' energy: -154.333 flat angles C4'-P-C4' energy: -176.285 flat angles P-C4'-P energy: -108.590 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: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1817.934623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.934623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.934623 (E_RNA) where: Base-Base interactions energy: -1132.484 where: short stacking energy: -493.825 Base-Backbone interact. energy: 0.198 local terms energy: -685.649332 where: bonds (distance) C4'-P energy: -154.664 bonds (distance) P-C4' energy: -158.884 flat angles C4'-P-C4' energy: -158.551 flat angles P-C4'-P energy: -103.653 tors. eta vs tors. theta energy: -109.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1377.454557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.454557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.454557 (E_RNA) where: Base-Base interactions energy: -797.026 where: short stacking energy: -385.335 Base-Backbone interact. energy: -1.633 local terms energy: -578.794933 where: bonds (distance) C4'-P energy: -163.838 bonds (distance) P-C4' energy: -151.756 flat angles C4'-P-C4' energy: -135.283 flat angles P-C4'-P energy: -81.042 tors. eta vs tors. theta energy: -46.876 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: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1054.132557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.132557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.132557 (E_RNA) where: Base-Base interactions energy: -542.644 where: short stacking energy: -275.148 Base-Backbone interact. energy: 2.993 local terms energy: -514.481887 where: bonds (distance) C4'-P energy: -146.198 bonds (distance) P-C4' energy: -150.444 flat angles C4'-P-C4' energy: -140.116 flat angles P-C4'-P energy: -81.455 tors. eta vs tors. theta energy: 3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -686.346858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.346858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.346858 (E_RNA) where: Base-Base interactions energy: -245.710 where: short stacking energy: -188.547 Base-Backbone interact. energy: -1.838 local terms energy: -438.798183 where: bonds (distance) C4'-P energy: -134.801 bonds (distance) P-C4' energy: -152.378 flat angles C4'-P-C4' energy: -101.486 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: 27.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3143.379136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.379136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.379136 (E_RNA) where: Base-Base interactions energy: -2144.813 where: short stacking energy: -911.639 Base-Backbone interact. energy: -5.178 local terms energy: -993.388661 where: bonds (distance) C4'-P energy: -182.627 bonds (distance) P-C4' energy: -184.678 flat angles C4'-P-C4' energy: -214.424 flat angles P-C4'-P energy: -142.918 tors. eta vs tors. theta energy: -268.741 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: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3004.260041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.260041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.260041 (E_RNA) where: Base-Base interactions energy: -2014.454 where: short stacking energy: -885.782 Base-Backbone interact. energy: -3.358 local terms energy: -986.448404 where: bonds (distance) C4'-P energy: -194.174 bonds (distance) P-C4' energy: -179.945 flat angles C4'-P-C4' energy: -188.062 flat angles P-C4'-P energy: -148.280 tors. eta vs tors. theta energy: -275.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2872.367348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.367348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.367348 (E_RNA) where: Base-Base interactions energy: -1969.256 where: short stacking energy: -832.509 Base-Backbone interact. energy: -4.162 local terms energy: -898.948942 where: bonds (distance) C4'-P energy: -157.177 bonds (distance) P-C4' energy: -173.350 flat angles C4'-P-C4' energy: -193.481 flat angles P-C4'-P energy: -155.626 tors. eta vs tors. theta energy: -219.316 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: 4, replica: 2 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2659.198420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.198420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.198420 (E_RNA) where: Base-Base interactions energy: -1785.529 where: short stacking energy: -776.462 Base-Backbone interact. energy: -2.218 local terms energy: -871.451403 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -191.800 flat angles C4'-P-C4' energy: -187.310 flat angles P-C4'-P energy: -103.318 tors. eta vs tors. theta energy: -237.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2397.804654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.804654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.804654 (E_RNA) where: Base-Base interactions energy: -1592.131 where: short stacking energy: -693.179 Base-Backbone interact. energy: -2.568 local terms energy: -803.106161 where: bonds (distance) C4'-P energy: -170.482 bonds (distance) P-C4' energy: -177.183 flat angles C4'-P-C4' energy: -161.504 flat angles P-C4'-P energy: -106.078 tors. eta vs tors. theta energy: -187.858 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: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2087.988082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.988082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.988082 (E_RNA) where: Base-Base interactions energy: -1382.225 where: short stacking energy: -595.097 Base-Backbone interact. energy: 0.361 local terms energy: -706.124190 where: bonds (distance) C4'-P energy: -135.550 bonds (distance) P-C4' energy: -156.204 flat angles C4'-P-C4' energy: -156.375 flat angles P-C4'-P energy: -120.271 tors. eta vs tors. theta energy: -137.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1892.526675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.526675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.526675 (E_RNA) where: Base-Base interactions energy: -1213.457 where: short stacking energy: -541.693 Base-Backbone interact. energy: -1.592 local terms energy: -677.478172 where: bonds (distance) C4'-P energy: -153.923 bonds (distance) P-C4' energy: -159.941 flat angles C4'-P-C4' energy: -156.243 flat angles P-C4'-P energy: -88.408 tors. eta vs tors. theta energy: -118.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1389.024295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.024295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.024295 (E_RNA) where: Base-Base interactions energy: -808.216 where: short stacking energy: -359.876 Base-Backbone interact. energy: -3.681 local terms energy: -577.127169 where: bonds (distance) C4'-P energy: -139.691 bonds (distance) P-C4' energy: -161.168 flat angles C4'-P-C4' energy: -159.688 flat angles P-C4'-P energy: -97.860 tors. eta vs tors. theta energy: -18.721 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: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1057.680757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.680757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.680757 (E_RNA) where: Base-Base interactions energy: -522.439 where: short stacking energy: -277.638 Base-Backbone interact. energy: -3.496 local terms energy: -531.746374 where: bonds (distance) C4'-P energy: -148.109 bonds (distance) P-C4' energy: -176.591 flat angles C4'-P-C4' energy: -137.987 flat angles P-C4'-P energy: -47.888 tors. eta vs tors. theta energy: -21.171 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: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -711.129892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.129892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.129892 (E_RNA) where: Base-Base interactions energy: -234.238 where: short stacking energy: -142.132 Base-Backbone interact. energy: 0.848 local terms energy: -477.739953 where: bonds (distance) C4'-P energy: -150.846 bonds (distance) P-C4' energy: -168.278 flat angles C4'-P-C4' energy: -133.295 flat angles P-C4'-P energy: -76.249 tors. eta vs tors. theta energy: 50.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3165.079895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.079895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.079895 (E_RNA) where: Base-Base interactions energy: -2173.947 where: short stacking energy: -925.268 Base-Backbone interact. energy: -0.821 local terms energy: -990.311030 where: bonds (distance) C4'-P energy: -185.858 bonds (distance) P-C4' energy: -175.004 flat angles C4'-P-C4' energy: -208.945 flat angles P-C4'-P energy: -141.624 tors. eta vs tors. theta energy: -278.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3003.475452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.475452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.475452 (E_RNA) where: Base-Base interactions energy: -2037.006 where: short stacking energy: -872.743 Base-Backbone interact. energy: -2.641 local terms energy: -963.829026 where: bonds (distance) C4'-P energy: -176.539 bonds (distance) P-C4' energy: -187.765 flat angles C4'-P-C4' energy: -216.460 flat angles P-C4'-P energy: -125.031 tors. eta vs tors. theta energy: -258.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2893.749461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.749461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.749461 (E_RNA) where: Base-Base interactions energy: -1986.907 where: short stacking energy: -839.600 Base-Backbone interact. energy: -3.756 local terms energy: -903.086625 where: bonds (distance) C4'-P energy: -179.314 bonds (distance) P-C4' energy: -169.371 flat angles C4'-P-C4' energy: -185.831 flat angles P-C4'-P energy: -130.876 tors. eta vs tors. theta energy: -237.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2642.967135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.967135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.967135 (E_RNA) where: Base-Base interactions energy: -1781.758 where: short stacking energy: -762.718 Base-Backbone interact. energy: 3.496 local terms energy: -864.705545 where: bonds (distance) C4'-P energy: -167.879 bonds (distance) P-C4' energy: -164.002 flat angles C4'-P-C4' energy: -190.754 flat angles P-C4'-P energy: -114.338 tors. eta vs tors. theta energy: -227.732 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: 474 Temperature: 1.100000 Total energy: -2444.690056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.690056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.690056 (E_RNA) where: Base-Base interactions energy: -1579.473 where: short stacking energy: -715.247 Base-Backbone interact. energy: -0.479 local terms energy: -864.737782 where: bonds (distance) C4'-P energy: -157.291 bonds (distance) P-C4' energy: -183.724 flat angles C4'-P-C4' energy: -190.179 flat angles P-C4'-P energy: -114.053 tors. eta vs tors. theta energy: -219.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2177.155709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.155709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.155709 (E_RNA) where: Base-Base interactions energy: -1420.671 where: short stacking energy: -584.187 Base-Backbone interact. energy: 2.745 local terms energy: -759.230429 where: bonds (distance) C4'-P energy: -155.042 bonds (distance) P-C4' energy: -169.186 flat angles C4'-P-C4' energy: -172.319 flat angles P-C4'-P energy: -112.712 tors. eta vs tors. theta energy: -149.972 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: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1944.389538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.389538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.389538 (E_RNA) where: Base-Base interactions energy: -1278.993 where: short stacking energy: -568.911 Base-Backbone interact. energy: -2.989 local terms energy: -662.407811 where: bonds (distance) C4'-P energy: -128.476 bonds (distance) P-C4' energy: -162.547 flat angles C4'-P-C4' energy: -166.059 flat angles P-C4'-P energy: -69.199 tors. eta vs tors. theta energy: -136.126 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: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1403.366803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.366803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.366803 (E_RNA) where: Base-Base interactions energy: -818.655 where: short stacking energy: -350.747 Base-Backbone interact. energy: -2.651 local terms energy: -582.060672 where: bonds (distance) C4'-P energy: -157.121 bonds (distance) P-C4' energy: -168.354 flat angles C4'-P-C4' energy: -143.592 flat angles P-C4'-P energy: -76.015 tors. eta vs tors. theta energy: -36.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1109.373088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.373088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.373088 (E_RNA) where: Base-Base interactions energy: -574.721 where: short stacking energy: -299.042 Base-Backbone interact. energy: -0.524 local terms energy: -534.128742 where: bonds (distance) C4'-P energy: -155.520 bonds (distance) P-C4' energy: -139.637 flat angles C4'-P-C4' energy: -125.928 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -22.577 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: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -676.194359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.194359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.194359 (E_RNA) where: Base-Base interactions energy: -231.314 where: short stacking energy: -184.262 Base-Backbone interact. energy: -1.279 local terms energy: -443.600948 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -159.412 flat angles C4'-P-C4' energy: -108.352 flat angles P-C4'-P energy: -65.168 tors. eta vs tors. theta energy: 28.579 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: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3153.642397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.642397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.642397 (E_RNA) where: Base-Base interactions energy: -2179.090 where: short stacking energy: -942.498 Base-Backbone interact. energy: -4.016 local terms energy: -970.536452 where: bonds (distance) C4'-P energy: -179.073 bonds (distance) P-C4' energy: -178.199 flat angles C4'-P-C4' energy: -205.238 flat angles P-C4'-P energy: -123.837 tors. eta vs tors. theta energy: -284.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3052.620010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.620010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.620010 (E_RNA) where: Base-Base interactions energy: -2104.350 where: short stacking energy: -927.656 Base-Backbone interact. energy: -3.613 local terms energy: -944.657005 where: bonds (distance) C4'-P energy: -170.216 bonds (distance) P-C4' energy: -164.000 flat angles C4'-P-C4' energy: -201.941 flat angles P-C4'-P energy: -134.686 tors. eta vs tors. theta energy: -273.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2943.520689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.520689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.520689 (E_RNA) where: Base-Base interactions energy: -2031.156 where: short stacking energy: -881.696 Base-Backbone interact. energy: -0.267 local terms energy: -912.097031 where: bonds (distance) C4'-P energy: -152.807 bonds (distance) P-C4' energy: -167.084 flat angles C4'-P-C4' energy: -197.033 flat angles P-C4'-P energy: -143.808 tors. eta vs tors. theta energy: -251.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2635.642497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.642497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.642497 (E_RNA) where: Base-Base interactions energy: -1798.828 where: short stacking energy: -770.528 Base-Backbone interact. energy: -4.334 local terms energy: -832.480442 where: bonds (distance) C4'-P energy: -158.139 bonds (distance) P-C4' energy: -167.648 flat angles C4'-P-C4' energy: -166.572 flat angles P-C4'-P energy: -120.994 tors. eta vs tors. theta energy: -219.127 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: 5, replica: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2448.302839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.302839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.302839 (E_RNA) where: Base-Base interactions energy: -1641.909 where: short stacking energy: -759.525 Base-Backbone interact. energy: 0.922 local terms energy: -807.316381 where: bonds (distance) C4'-P energy: -163.941 bonds (distance) P-C4' energy: -138.462 flat angles C4'-P-C4' energy: -179.449 flat angles P-C4'-P energy: -117.047 tors. eta vs tors. theta energy: -208.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2188.825539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.825539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.825539 (E_RNA) where: Base-Base interactions energy: -1448.145 where: short stacking energy: -642.317 Base-Backbone interact. energy: -2.148 local terms energy: -738.532011 where: bonds (distance) C4'-P energy: -147.148 bonds (distance) P-C4' energy: -149.170 flat angles C4'-P-C4' energy: -183.968 flat angles P-C4'-P energy: -106.950 tors. eta vs tors. theta energy: -151.295 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1980.542133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.542133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.542133 (E_RNA) where: Base-Base interactions energy: -1276.813 where: short stacking energy: -552.595 Base-Backbone interact. energy: -2.611 local terms energy: -701.118001 where: bonds (distance) C4'-P energy: -147.218 bonds (distance) P-C4' energy: -156.371 flat angles C4'-P-C4' energy: -171.961 flat angles P-C4'-P energy: -94.007 tors. eta vs tors. theta energy: -131.561 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: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1431.029763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.029763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.029763 (E_RNA) where: Base-Base interactions energy: -831.663 where: short stacking energy: -403.953 Base-Backbone interact. energy: -3.825 local terms energy: -595.541855 where: bonds (distance) C4'-P energy: -156.419 bonds (distance) P-C4' energy: -150.542 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -72.517 tors. eta vs tors. theta energy: -73.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1092.039275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.039275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.039275 (E_RNA) where: Base-Base interactions energy: -567.074 where: short stacking energy: -292.218 Base-Backbone interact. energy: 3.867 local terms energy: -528.833013 where: bonds (distance) C4'-P energy: -150.264 bonds (distance) P-C4' energy: -159.069 flat angles C4'-P-C4' energy: -156.404 flat angles P-C4'-P energy: -72.860 tors. eta vs tors. theta energy: 9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -709.437684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.437684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.437684 (E_RNA) where: Base-Base interactions energy: -241.545 where: short stacking energy: -215.184 Base-Backbone interact. energy: 0.476 local terms energy: -468.369006 where: bonds (distance) C4'-P energy: -131.329 bonds (distance) P-C4' energy: -151.321 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: 28.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3164.363049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.363049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.363049 (E_RNA) where: Base-Base interactions energy: -2182.085 where: short stacking energy: -955.423 Base-Backbone interact. energy: -2.261 local terms energy: -980.016899 where: bonds (distance) C4'-P energy: -166.262 bonds (distance) P-C4' energy: -189.160 flat angles C4'-P-C4' energy: -213.398 flat angles P-C4'-P energy: -133.443 tors. eta vs tors. theta energy: -277.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3038.612385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.612385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.612385 (E_RNA) where: Base-Base interactions energy: -2063.886 where: short stacking energy: -899.863 Base-Backbone interact. energy: -2.625 local terms energy: -972.100830 where: bonds (distance) C4'-P energy: -169.250 bonds (distance) P-C4' energy: -168.239 flat angles C4'-P-C4' energy: -211.501 flat angles P-C4'-P energy: -152.420 tors. eta vs tors. theta energy: -270.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2879.381072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.381072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.381072 (E_RNA) where: Base-Base interactions energy: -2007.079 where: short stacking energy: -836.570 Base-Backbone interact. energy: -2.118 local terms energy: -870.183708 where: bonds (distance) C4'-P energy: -163.847 bonds (distance) P-C4' energy: -150.997 flat angles C4'-P-C4' energy: -186.671 flat angles P-C4'-P energy: -121.352 tors. eta vs tors. theta energy: -247.316 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: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2632.544614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.544614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.544614 (E_RNA) where: Base-Base interactions energy: -1801.030 where: short stacking energy: -792.512 Base-Backbone interact. energy: -0.024 local terms energy: -831.489824 where: bonds (distance) C4'-P energy: -155.139 bonds (distance) P-C4' energy: -142.068 flat angles C4'-P-C4' energy: -183.194 flat angles P-C4'-P energy: -110.178 tors. eta vs tors. theta energy: -240.912 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: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2392.118894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.118894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.118894 (E_RNA) where: Base-Base interactions energy: -1582.544 where: short stacking energy: -696.142 Base-Backbone interact. energy: -2.067 local terms energy: -807.507688 where: bonds (distance) C4'-P energy: -149.327 bonds (distance) P-C4' energy: -142.957 flat angles C4'-P-C4' energy: -189.159 flat angles P-C4'-P energy: -111.322 tors. eta vs tors. theta energy: -214.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2234.150573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.150573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.150573 (E_RNA) where: Base-Base interactions energy: -1469.638 where: short stacking energy: -652.930 Base-Backbone interact. energy: 0.401 local terms energy: -764.912624 where: bonds (distance) C4'-P energy: -152.133 bonds (distance) P-C4' energy: -168.681 flat angles C4'-P-C4' energy: -165.590 flat angles P-C4'-P energy: -113.204 tors. eta vs tors. theta energy: -165.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1899.189186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.189186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.189186 (E_RNA) where: Base-Base interactions energy: -1183.610 where: short stacking energy: -544.792 Base-Backbone interact. energy: -1.186 local terms energy: -714.392866 where: bonds (distance) C4'-P energy: -148.338 bonds (distance) P-C4' energy: -174.537 flat angles C4'-P-C4' energy: -151.166 flat angles P-C4'-P energy: -116.718 tors. eta vs tors. theta energy: -123.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1359.512056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.512056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.512056 (E_RNA) where: Base-Base interactions energy: -751.050 where: short stacking energy: -369.642 Base-Backbone interact. energy: -1.730 local terms energy: -606.732108 where: bonds (distance) C4'-P energy: -154.469 bonds (distance) P-C4' energy: -170.479 flat angles C4'-P-C4' energy: -164.870 flat angles P-C4'-P energy: -80.071 tors. eta vs tors. theta energy: -36.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1041.445099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.445099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.445099 (E_RNA) where: Base-Base interactions energy: -517.764 where: short stacking energy: -314.046 Base-Backbone interact. energy: 3.653 local terms energy: -527.334113 where: bonds (distance) C4'-P energy: -125.240 bonds (distance) P-C4' energy: -170.938 flat angles C4'-P-C4' energy: -150.793 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -20.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -677.987866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.987866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.987866 (E_RNA) where: Base-Base interactions energy: -222.553 where: short stacking energy: -200.080 Base-Backbone interact. energy: 4.591 local terms energy: -460.026002 where: bonds (distance) C4'-P energy: -141.750 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -126.134 flat angles P-C4'-P energy: -81.267 tors. eta vs tors. theta energy: 35.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3173.430875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.430875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.430875 (E_RNA) where: Base-Base interactions energy: -2176.638 where: short stacking energy: -904.046 Base-Backbone interact. energy: -0.280 local terms energy: -996.512712 where: bonds (distance) C4'-P energy: -196.986 bonds (distance) P-C4' energy: -174.668 flat angles C4'-P-C4' energy: -200.207 flat angles P-C4'-P energy: -145.313 tors. eta vs tors. theta energy: -279.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3071.727085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.727085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.727085 (E_RNA) where: Base-Base interactions energy: -2108.669 where: short stacking energy: -910.834 Base-Backbone interact. energy: -3.991 local terms energy: -959.067288 where: bonds (distance) C4'-P energy: -177.165 bonds (distance) P-C4' energy: -164.775 flat angles C4'-P-C4' energy: -201.882 flat angles P-C4'-P energy: -139.907 tors. eta vs tors. theta energy: -275.339 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: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2906.407245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.407245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.407245 (E_RNA) where: Base-Base interactions energy: -1978.888 where: short stacking energy: -855.367 Base-Backbone interact. energy: -0.416 local terms energy: -927.102488 where: bonds (distance) C4'-P energy: -174.790 bonds (distance) P-C4' energy: -182.325 flat angles C4'-P-C4' energy: -202.264 flat angles P-C4'-P energy: -113.857 tors. eta vs tors. theta energy: -253.866 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: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2685.609055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.609055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.609055 (E_RNA) where: Base-Base interactions energy: -1778.727 where: short stacking energy: -784.979 Base-Backbone interact. energy: -2.642 local terms energy: -904.239885 where: bonds (distance) C4'-P energy: -193.100 bonds (distance) P-C4' energy: -177.852 flat angles C4'-P-C4' energy: -179.035 flat angles P-C4'-P energy: -119.910 tors. eta vs tors. theta energy: -234.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2444.583640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.583640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.583640 (E_RNA) where: Base-Base interactions energy: -1633.409 where: short stacking energy: -745.483 Base-Backbone interact. energy: -3.602 local terms energy: -807.573240 where: bonds (distance) C4'-P energy: -139.657 bonds (distance) P-C4' energy: -166.779 flat angles C4'-P-C4' energy: -176.628 flat angles P-C4'-P energy: -116.854 tors. eta vs tors. theta energy: -207.656 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: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2243.808592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.808592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.808592 (E_RNA) where: Base-Base interactions energy: -1478.505 where: short stacking energy: -647.414 Base-Backbone interact. energy: -2.316 local terms energy: -762.988300 where: bonds (distance) C4'-P energy: -145.701 bonds (distance) P-C4' energy: -159.559 flat angles C4'-P-C4' energy: -168.990 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -172.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1911.502184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.502184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.502184 (E_RNA) where: Base-Base interactions energy: -1198.747 where: short stacking energy: -559.080 Base-Backbone interact. energy: -3.465 local terms energy: -709.290377 where: bonds (distance) C4'-P energy: -161.040 bonds (distance) P-C4' energy: -158.403 flat angles C4'-P-C4' energy: -168.985 flat angles P-C4'-P energy: -92.491 tors. eta vs tors. theta energy: -128.372 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: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1452.168826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.168826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.168826 (E_RNA) where: Base-Base interactions energy: -823.204 where: short stacking energy: -400.030 Base-Backbone interact. energy: -0.551 local terms energy: -628.414079 where: bonds (distance) C4'-P energy: -165.358 bonds (distance) P-C4' energy: -183.812 flat angles C4'-P-C4' energy: -126.405 flat angles P-C4'-P energy: -93.080 tors. eta vs tors. theta energy: -59.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1071.725462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.725462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.725462 (E_RNA) where: Base-Base interactions energy: -576.369 where: short stacking energy: -304.023 Base-Backbone interact. energy: 1.446 local terms energy: -496.802643 where: bonds (distance) C4'-P energy: -137.818 bonds (distance) P-C4' energy: -165.532 flat angles C4'-P-C4' energy: -122.787 flat angles P-C4'-P energy: -72.630 tors. eta vs tors. theta energy: 1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -655.425728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.425728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.425728 (E_RNA) where: Base-Base interactions energy: -244.541 where: short stacking energy: -205.893 Base-Backbone interact. energy: 2.167 local terms energy: -413.052327 where: bonds (distance) C4'-P energy: -136.070 bonds (distance) P-C4' energy: -135.815 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: 27.812 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: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3154.821835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.821835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.821835 (E_RNA) where: Base-Base interactions energy: -2161.035 where: short stacking energy: -949.999 Base-Backbone interact. energy: -2.171 local terms energy: -991.615789 where: bonds (distance) C4'-P energy: -198.618 bonds (distance) P-C4' energy: -175.367 flat angles C4'-P-C4' energy: -202.534 flat angles P-C4'-P energy: -141.326 tors. eta vs tors. theta energy: -273.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -3063.198054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.198054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.198054 (E_RNA) where: Base-Base interactions energy: -2098.496 where: short stacking energy: -920.238 Base-Backbone interact. energy: -0.288 local terms energy: -964.413604 where: bonds (distance) C4'-P energy: -183.665 bonds (distance) P-C4' energy: -172.928 flat angles C4'-P-C4' energy: -201.687 flat angles P-C4'-P energy: -140.137 tors. eta vs tors. theta energy: -265.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2900.133719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.133719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.133719 (E_RNA) where: Base-Base interactions energy: -1996.528 where: short stacking energy: -840.785 Base-Backbone interact. energy: 0.097 local terms energy: -903.702347 where: bonds (distance) C4'-P energy: -169.040 bonds (distance) P-C4' energy: -163.106 flat angles C4'-P-C4' energy: -197.489 flat angles P-C4'-P energy: -123.994 tors. eta vs tors. theta energy: -250.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2658.439666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.439666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.439666 (E_RNA) where: Base-Base interactions energy: -1801.386 where: short stacking energy: -794.212 Base-Backbone interact. energy: 0.401 local terms energy: -857.454887 where: bonds (distance) C4'-P energy: -166.884 bonds (distance) P-C4' energy: -151.663 flat angles C4'-P-C4' energy: -181.183 flat angles P-C4'-P energy: -132.251 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: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2395.845787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.845787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.845787 (E_RNA) where: Base-Base interactions energy: -1576.091 where: short stacking energy: -677.449 Base-Backbone interact. energy: 3.600 local terms energy: -823.355664 where: bonds (distance) C4'-P energy: -157.407 bonds (distance) P-C4' energy: -165.722 flat angles C4'-P-C4' energy: -178.283 flat angles P-C4'-P energy: -127.060 tors. eta vs tors. theta energy: -194.884 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: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2292.414205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.414205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.414205 (E_RNA) where: Base-Base interactions energy: -1535.024 where: short stacking energy: -711.976 Base-Backbone interact. energy: -0.754 local terms energy: -756.636761 where: bonds (distance) C4'-P energy: -148.824 bonds (distance) P-C4' energy: -161.396 flat angles C4'-P-C4' energy: -178.296 flat angles P-C4'-P energy: -89.684 tors. eta vs tors. theta energy: -178.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1910.991239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.991239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.991239 (E_RNA) where: Base-Base interactions energy: -1200.168 where: short stacking energy: -529.876 Base-Backbone interact. energy: 0.303 local terms energy: -711.126756 where: bonds (distance) C4'-P energy: -148.566 bonds (distance) P-C4' energy: -162.734 flat angles C4'-P-C4' energy: -172.034 flat angles P-C4'-P energy: -100.692 tors. eta vs tors. theta energy: -127.101 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: 478 Temperature: 1.250000 Total energy: -1475.548956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.548956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.548956 (E_RNA) where: Base-Base interactions energy: -855.258 where: short stacking energy: -415.133 Base-Backbone interact. energy: 5.483 local terms energy: -625.773982 where: bonds (distance) C4'-P energy: -145.651 bonds (distance) P-C4' energy: -153.466 flat angles C4'-P-C4' energy: -155.337 flat angles P-C4'-P energy: -89.959 tors. eta vs tors. theta energy: -81.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1051.903905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.903905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.903905 (E_RNA) where: Base-Base interactions energy: -550.399 where: short stacking energy: -330.606 Base-Backbone interact. energy: -0.261 local terms energy: -501.243659 where: bonds (distance) C4'-P energy: -149.492 bonds (distance) P-C4' energy: -161.402 flat angles C4'-P-C4' energy: -111.157 flat angles P-C4'-P energy: -73.374 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -703.683108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.683108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.683108 (E_RNA) where: Base-Base interactions energy: -203.027 where: short stacking energy: -162.180 Base-Backbone interact. energy: 2.729 local terms energy: -503.385089 where: bonds (distance) C4'-P energy: -154.617 bonds (distance) P-C4' energy: -159.442 flat angles C4'-P-C4' energy: -132.670 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: 15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3177.064490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.064490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.064490 (E_RNA) where: Base-Base interactions energy: -2187.057 where: short stacking energy: -957.720 Base-Backbone interact. energy: -3.405 local terms energy: -986.602012 where: bonds (distance) C4'-P energy: -194.516 bonds (distance) P-C4' energy: -180.258 flat angles C4'-P-C4' energy: -199.974 flat angles P-C4'-P energy: -141.910 tors. eta vs tors. theta energy: -269.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3044.445488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.445488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.445488 (E_RNA) where: Base-Base interactions energy: -2093.657 where: short stacking energy: -900.874 Base-Backbone interact. energy: -1.118 local terms energy: -949.670486 where: bonds (distance) C4'-P energy: -169.343 bonds (distance) P-C4' energy: -162.416 flat angles C4'-P-C4' energy: -209.660 flat angles P-C4'-P energy: -138.018 tors. eta vs tors. theta energy: -270.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2876.114389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.114389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.114389 (E_RNA) where: Base-Base interactions energy: -1953.594 where: short stacking energy: -834.015 Base-Backbone interact. energy: 2.138 local terms energy: -924.658350 where: bonds (distance) C4'-P energy: -174.138 bonds (distance) P-C4' energy: -174.091 flat angles C4'-P-C4' energy: -199.439 flat angles P-C4'-P energy: -138.091 tors. eta vs tors. theta energy: -238.899 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: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2633.469447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.469447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.469447 (E_RNA) where: Base-Base interactions energy: -1766.225 where: short stacking energy: -778.853 Base-Backbone interact. energy: -0.486 local terms energy: -866.758419 where: bonds (distance) C4'-P energy: -152.863 bonds (distance) P-C4' energy: -170.527 flat angles C4'-P-C4' energy: -179.216 flat angles P-C4'-P energy: -126.246 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: 5, replica: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2430.474478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.474478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.474478 (E_RNA) where: Base-Base interactions energy: -1581.053 where: short stacking energy: -715.647 Base-Backbone interact. energy: -2.223 local terms energy: -847.198933 where: bonds (distance) C4'-P energy: -176.645 bonds (distance) P-C4' energy: -160.881 flat angles C4'-P-C4' energy: -182.451 flat angles P-C4'-P energy: -111.674 tors. eta vs tors. theta energy: -215.548 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: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2260.757799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.757799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.757799 (E_RNA) where: Base-Base interactions energy: -1483.560 where: short stacking energy: -653.451 Base-Backbone interact. energy: -2.912 local terms energy: -774.285439 where: bonds (distance) C4'-P energy: -178.044 bonds (distance) P-C4' energy: -135.276 flat angles C4'-P-C4' energy: -171.938 flat angles P-C4'-P energy: -107.245 tors. eta vs tors. theta energy: -181.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1962.970870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.970870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.970870 (E_RNA) where: Base-Base interactions energy: -1225.209 where: short stacking energy: -551.505 Base-Backbone interact. energy: -0.428 local terms energy: -737.333308 where: bonds (distance) C4'-P energy: -164.307 bonds (distance) P-C4' energy: -150.616 flat angles C4'-P-C4' energy: -168.448 flat angles P-C4'-P energy: -106.601 tors. eta vs tors. theta energy: -147.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1392.678108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.678108 (E_RNA) where: Base-Base interactions energy: -820.715 where: short stacking energy: -406.153 Base-Backbone interact. energy: -2.066 local terms energy: -569.896786 where: bonds (distance) C4'-P energy: -151.968 bonds (distance) P-C4' energy: -152.668 flat angles C4'-P-C4' energy: -129.530 flat angles P-C4'-P energy: -84.304 tors. eta vs tors. theta energy: -51.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1061.788254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.788254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.788254 (E_RNA) where: Base-Base interactions energy: -545.862 where: short stacking energy: -270.845 Base-Backbone interact. energy: -0.018 local terms energy: -515.908827 where: bonds (distance) C4'-P energy: -136.844 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -125.690 flat angles P-C4'-P energy: -89.485 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -672.949357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.949357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.949357 (E_RNA) where: Base-Base interactions energy: -227.139 where: short stacking energy: -173.945 Base-Backbone interact. energy: 5.172 local terms energy: -450.983104 where: bonds (distance) C4'-P energy: -145.088 bonds (distance) P-C4' energy: -158.256 flat angles C4'-P-C4' energy: -115.394 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: 49.939 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: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3194.607611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.607611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.607611 (E_RNA) where: Base-Base interactions energy: -2200.857 where: short stacking energy: -923.269 Base-Backbone interact. energy: -2.518 local terms energy: -991.232648 where: bonds (distance) C4'-P energy: -178.731 bonds (distance) P-C4' energy: -191.801 flat angles C4'-P-C4' energy: -204.987 flat angles P-C4'-P energy: -136.620 tors. eta vs tors. theta energy: -279.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3025.026406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.026406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.026406 (E_RNA) where: Base-Base interactions energy: -2058.410 where: short stacking energy: -894.971 Base-Backbone interact. energy: -2.586 local terms energy: -964.030074 where: bonds (distance) C4'-P energy: -191.760 bonds (distance) P-C4' energy: -155.301 flat angles C4'-P-C4' energy: -204.761 flat angles P-C4'-P energy: -133.865 tors. eta vs tors. theta energy: -278.344 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: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2912.070758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.070758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.070758 (E_RNA) where: Base-Base interactions energy: -2011.491 where: short stacking energy: -864.365 Base-Backbone interact. energy: -1.238 local terms energy: -899.341144 where: bonds (distance) C4'-P energy: -171.799 bonds (distance) P-C4' energy: -179.539 flat angles C4'-P-C4' energy: -188.229 flat angles P-C4'-P energy: -113.632 tors. eta vs tors. theta energy: -246.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2636.223740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.223740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.223740 (E_RNA) where: Base-Base interactions energy: -1788.015 where: short stacking energy: -787.995 Base-Backbone interact. energy: -5.056 local terms energy: -843.152770 where: bonds (distance) C4'-P energy: -136.646 bonds (distance) P-C4' energy: -170.813 flat angles C4'-P-C4' energy: -181.162 flat angles P-C4'-P energy: -128.978 tors. eta vs tors. theta energy: -225.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2415.918074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.918074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.918074 (E_RNA) where: Base-Base interactions energy: -1582.177 where: short stacking energy: -694.170 Base-Backbone interact. energy: -3.351 local terms energy: -830.390481 where: bonds (distance) C4'-P energy: -153.971 bonds (distance) P-C4' energy: -172.233 flat angles C4'-P-C4' energy: -172.965 flat angles P-C4'-P energy: -132.124 tors. eta vs tors. theta energy: -199.097 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: 480 Temperature: 1.150000 Total energy: -2223.135060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.135060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.135060 (E_RNA) where: Base-Base interactions energy: -1447.098 where: short stacking energy: -632.634 Base-Backbone interact. energy: -2.602 local terms energy: -773.434361 where: bonds (distance) C4'-P energy: -139.448 bonds (distance) P-C4' energy: -163.824 flat angles C4'-P-C4' energy: -184.983 flat angles P-C4'-P energy: -105.908 tors. eta vs tors. theta energy: -179.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1999.148504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.148504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.148504 (E_RNA) where: Base-Base interactions energy: -1283.040 where: short stacking energy: -593.060 Base-Backbone interact. energy: -6.095 local terms energy: -710.013340 where: bonds (distance) C4'-P energy: -145.266 bonds (distance) P-C4' energy: -148.699 flat angles C4'-P-C4' energy: -153.800 flat angles P-C4'-P energy: -110.040 tors. eta vs tors. theta energy: -152.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1431.848451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.848451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.848451 (E_RNA) where: Base-Base interactions energy: -846.481 where: short stacking energy: -422.664 Base-Backbone interact. energy: -2.787 local terms energy: -582.580465 where: bonds (distance) C4'-P energy: -135.398 bonds (distance) P-C4' energy: -150.675 flat angles C4'-P-C4' energy: -142.339 flat angles P-C4'-P energy: -87.473 tors. eta vs tors. theta energy: -66.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1094.768108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.768108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.768108 (E_RNA) where: Base-Base interactions energy: -578.358 where: short stacking energy: -322.465 Base-Backbone interact. energy: 6.095 local terms energy: -522.505583 where: bonds (distance) C4'-P energy: -134.072 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -161.281 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -29.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -699.284236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.284236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.284236 (E_RNA) where: Base-Base interactions energy: -230.937 where: short stacking energy: -188.450 Base-Backbone interact. energy: -0.865 local terms energy: -467.482288 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -119.395 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -75.644 tors. eta vs tors. theta energy: 11.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3186.348657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.348657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.348657 (E_RNA) where: Base-Base interactions energy: -2187.593 where: short stacking energy: -945.739 Base-Backbone interact. energy: -1.501 local terms energy: -997.255177 where: bonds (distance) C4'-P energy: -173.787 bonds (distance) P-C4' energy: -192.059 flat angles C4'-P-C4' energy: -208.879 flat angles P-C4'-P energy: -136.566 tors. eta vs tors. theta energy: -285.965 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: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3014.946912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.946912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.946912 (E_RNA) where: Base-Base interactions energy: -2040.130 where: short stacking energy: -865.402 Base-Backbone interact. energy: -2.465 local terms energy: -972.352628 where: bonds (distance) C4'-P energy: -191.747 bonds (distance) P-C4' energy: -193.551 flat angles C4'-P-C4' energy: -209.939 flat angles P-C4'-P energy: -125.314 tors. eta vs tors. theta energy: -251.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2888.551762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.551762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.551762 (E_RNA) where: Base-Base interactions energy: -1990.137 where: short stacking energy: -828.038 Base-Backbone interact. energy: -2.302 local terms energy: -896.112560 where: bonds (distance) C4'-P energy: -160.804 bonds (distance) P-C4' energy: -178.392 flat angles C4'-P-C4' energy: -188.248 flat angles P-C4'-P energy: -128.689 tors. eta vs tors. theta energy: -239.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2613.999483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.999483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.999483 (E_RNA) where: Base-Base interactions energy: -1755.925 where: short stacking energy: -757.086 Base-Backbone interact. energy: -3.723 local terms energy: -854.350602 where: bonds (distance) C4'-P energy: -157.060 bonds (distance) P-C4' energy: -182.408 flat angles C4'-P-C4' energy: -174.920 flat angles P-C4'-P energy: -112.664 tors. eta vs tors. theta energy: -227.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2312.531517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.531517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.531517 (E_RNA) where: Base-Base interactions energy: -1530.720 where: short stacking energy: -676.743 Base-Backbone interact. energy: -0.680 local terms energy: -781.131348 where: bonds (distance) C4'-P energy: -157.336 bonds (distance) P-C4' energy: -148.634 flat angles C4'-P-C4' energy: -167.194 flat angles P-C4'-P energy: -121.703 tors. eta vs tors. theta energy: -186.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2231.686760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.686760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.686760 (E_RNA) where: Base-Base interactions energy: -1449.413 where: short stacking energy: -657.766 Base-Backbone interact. energy: -0.460 local terms energy: -781.813970 where: bonds (distance) C4'-P energy: -153.706 bonds (distance) P-C4' energy: -168.910 flat angles C4'-P-C4' energy: -179.883 flat angles P-C4'-P energy: -106.588 tors. eta vs tors. theta energy: -172.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1989.864250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.864250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.864250 (E_RNA) where: Base-Base interactions energy: -1279.637 where: short stacking energy: -561.536 Base-Backbone interact. energy: -1.948 local terms energy: -708.279434 where: bonds (distance) C4'-P energy: -144.434 bonds (distance) P-C4' energy: -162.873 flat angles C4'-P-C4' energy: -161.523 flat angles P-C4'-P energy: -109.659 tors. eta vs tors. theta energy: -129.791 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: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1472.854641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.854641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.854641 (E_RNA) where: Base-Base interactions energy: -849.053 where: short stacking energy: -437.034 Base-Backbone interact. energy: 1.731 local terms energy: -625.532539 where: bonds (distance) C4'-P energy: -136.348 bonds (distance) P-C4' energy: -163.296 flat angles C4'-P-C4' energy: -160.367 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -84.513 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: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1071.098976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.098976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.098976 (E_RNA) where: Base-Base interactions energy: -561.559 where: short stacking energy: -307.836 Base-Backbone interact. energy: 8.367 local terms energy: -517.907118 where: bonds (distance) C4'-P energy: -151.790 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -132.817 flat angles P-C4'-P energy: -102.681 tors. eta vs tors. theta energy: -11.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -696.860961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.860961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.860961 (E_RNA) where: Base-Base interactions energy: -267.073 where: short stacking energy: -189.314 Base-Backbone interact. energy: -0.010 local terms energy: -429.778257 where: bonds (distance) C4'-P energy: -130.549 bonds (distance) P-C4' energy: -155.200 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: 27.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3177.080551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.080551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.080551 (E_RNA) where: Base-Base interactions energy: -2182.165 where: short stacking energy: -933.988 Base-Backbone interact. energy: -6.609 local terms energy: -988.306604 where: bonds (distance) C4'-P energy: -173.797 bonds (distance) P-C4' energy: -185.335 flat angles C4'-P-C4' energy: -216.707 flat angles P-C4'-P energy: -135.526 tors. eta vs tors. theta energy: -276.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3035.078597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.078597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.078597 (E_RNA) where: Base-Base interactions energy: -2096.798 where: short stacking energy: -888.240 Base-Backbone interact. energy: -3.608 local terms energy: -934.672350 where: bonds (distance) C4'-P energy: -158.632 bonds (distance) P-C4' energy: -178.940 flat angles C4'-P-C4' energy: -211.134 flat angles P-C4'-P energy: -124.631 tors. eta vs tors. theta energy: -261.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2850.650158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.650158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.650158 (E_RNA) where: Base-Base interactions energy: -1942.738 where: short stacking energy: -810.721 Base-Backbone interact. energy: -5.891 local terms energy: -902.020767 where: bonds (distance) C4'-P energy: -174.233 bonds (distance) P-C4' energy: -174.844 flat angles C4'-P-C4' energy: -199.533 flat angles P-C4'-P energy: -123.997 tors. eta vs tors. theta energy: -229.414 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: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2648.824927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.824927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.824927 (E_RNA) where: Base-Base interactions energy: -1756.352 where: short stacking energy: -771.858 Base-Backbone interact. energy: -4.286 local terms energy: -888.187487 where: bonds (distance) C4'-P energy: -163.144 bonds (distance) P-C4' energy: -162.835 flat angles C4'-P-C4' energy: -207.610 flat angles P-C4'-P energy: -116.750 tors. eta vs tors. theta energy: -237.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2297.607769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.607769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.607769 (E_RNA) where: Base-Base interactions energy: -1489.871 where: short stacking energy: -643.869 Base-Backbone interact. energy: 0.351 local terms energy: -808.087669 where: bonds (distance) C4'-P energy: -169.084 bonds (distance) P-C4' energy: -169.504 flat angles C4'-P-C4' energy: -169.691 flat angles P-C4'-P energy: -119.396 tors. eta vs tors. theta energy: -180.413 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: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2176.951812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.951812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.951812 (E_RNA) where: Base-Base interactions energy: -1437.599 where: short stacking energy: -641.957 Base-Backbone interact. energy: -2.101 local terms energy: -737.251222 where: bonds (distance) C4'-P energy: -159.157 bonds (distance) P-C4' energy: -163.763 flat angles C4'-P-C4' energy: -157.947 flat angles P-C4'-P energy: -103.835 tors. eta vs tors. theta energy: -152.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1949.136986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.136986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.136986 (E_RNA) where: Base-Base interactions energy: -1236.328 where: short stacking energy: -545.083 Base-Backbone interact. energy: -0.150 local terms energy: -712.658389 where: bonds (distance) C4'-P energy: -137.548 bonds (distance) P-C4' energy: -161.980 flat angles C4'-P-C4' energy: -191.365 flat angles P-C4'-P energy: -77.876 tors. eta vs tors. theta energy: -143.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1331.963767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.963767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.963767 (E_RNA) where: Base-Base interactions energy: -742.577 where: short stacking energy: -365.099 Base-Backbone interact. energy: 1.430 local terms energy: -590.816381 where: bonds (distance) C4'-P energy: -173.851 bonds (distance) P-C4' energy: -158.089 flat angles C4'-P-C4' energy: -137.780 flat angles P-C4'-P energy: -80.439 tors. eta vs tors. theta energy: -40.657 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: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1085.794971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.794971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.794971 (E_RNA) where: Base-Base interactions energy: -564.336 where: short stacking energy: -301.750 Base-Backbone interact. energy: 0.745 local terms energy: -522.203516 where: bonds (distance) C4'-P energy: -144.473 bonds (distance) P-C4' energy: -155.673 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -84.156 tors. eta vs tors. theta energy: 3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -663.496061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.496061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.496061 (E_RNA) where: Base-Base interactions energy: -216.750 where: short stacking energy: -159.782 Base-Backbone interact. energy: 1.531 local terms energy: -448.277178 where: bonds (distance) C4'-P energy: -150.969 bonds (distance) P-C4' energy: -132.656 flat angles C4'-P-C4' energy: -118.687 flat angles P-C4'-P energy: -72.004 tors. eta vs tors. theta energy: 26.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3148.055704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.055704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.055704 (E_RNA) where: Base-Base interactions energy: -2141.348 where: short stacking energy: -933.476 Base-Backbone interact. energy: -3.188 local terms energy: -1003.519794 where: bonds (distance) C4'-P energy: -186.365 bonds (distance) P-C4' energy: -186.307 flat angles C4'-P-C4' energy: -219.935 flat angles P-C4'-P energy: -140.835 tors. eta vs tors. theta energy: -270.077 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: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3039.369018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.369018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.369018 (E_RNA) where: Base-Base interactions energy: -2068.504 where: short stacking energy: -901.195 Base-Backbone interact. energy: -2.640 local terms energy: -968.224673 where: bonds (distance) C4'-P energy: -191.515 bonds (distance) P-C4' energy: -186.821 flat angles C4'-P-C4' energy: -199.343 flat angles P-C4'-P energy: -119.699 tors. eta vs tors. theta energy: -270.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2886.267763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.267763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.267763 (E_RNA) where: Base-Base interactions energy: -1950.254 where: short stacking energy: -806.876 Base-Backbone interact. energy: -1.349 local terms energy: -934.664591 where: bonds (distance) C4'-P energy: -178.916 bonds (distance) P-C4' energy: -182.818 flat angles C4'-P-C4' energy: -207.991 flat angles P-C4'-P energy: -130.608 tors. eta vs tors. theta energy: -234.332 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: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2643.963084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.963084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.963084 (E_RNA) where: Base-Base interactions energy: -1758.497 where: short stacking energy: -776.908 Base-Backbone interact. energy: -3.550 local terms energy: -881.915569 where: bonds (distance) C4'-P energy: -152.261 bonds (distance) P-C4' energy: -184.766 flat angles C4'-P-C4' energy: -200.030 flat angles P-C4'-P energy: -114.525 tors. eta vs tors. theta energy: -230.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2400.553549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.553549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.553549 (E_RNA) where: Base-Base interactions energy: -1569.196 where: short stacking energy: -714.870 Base-Backbone interact. energy: -1.920 local terms energy: -829.437696 where: bonds (distance) C4'-P energy: -160.483 bonds (distance) P-C4' energy: -174.989 flat angles C4'-P-C4' energy: -164.950 flat angles P-C4'-P energy: -124.409 tors. eta vs tors. theta energy: -204.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2192.552240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.552240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.552240 (E_RNA) where: Base-Base interactions energy: -1435.437 where: short stacking energy: -665.596 Base-Backbone interact. energy: 1.538 local terms energy: -758.652536 where: bonds (distance) C4'-P energy: -147.962 bonds (distance) P-C4' energy: -168.892 flat angles C4'-P-C4' energy: -173.554 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -163.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1938.747046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.747046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.747046 (E_RNA) where: Base-Base interactions energy: -1235.235 where: short stacking energy: -536.233 Base-Backbone interact. energy: 0.940 local terms energy: -704.451702 where: bonds (distance) C4'-P energy: -149.985 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -158.123 flat angles P-C4'-P energy: -116.099 tors. eta vs tors. theta energy: -121.678 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: 483 Temperature: 1.250000 Total energy: -1358.242400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.242400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.242400 (E_RNA) where: Base-Base interactions energy: -764.625 where: short stacking energy: -351.951 Base-Backbone interact. energy: -3.457 local terms energy: -590.160535 where: bonds (distance) C4'-P energy: -146.789 bonds (distance) P-C4' energy: -149.859 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -35.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1083.214211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.214211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.214211 (E_RNA) where: Base-Base interactions energy: -564.124 where: short stacking energy: -323.695 Base-Backbone interact. energy: -0.785 local terms energy: -518.305826 where: bonds (distance) C4'-P energy: -135.604 bonds (distance) P-C4' energy: -130.700 flat angles C4'-P-C4' energy: -138.402 flat angles P-C4'-P energy: -95.864 tors. eta vs tors. theta energy: -17.736 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: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -670.774326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.774326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.774326 (E_RNA) where: Base-Base interactions energy: -228.135 where: short stacking energy: -181.475 Base-Backbone interact. energy: 8.417 local terms energy: -451.056039 where: bonds (distance) C4'-P energy: -133.524 bonds (distance) P-C4' energy: -153.450 flat angles C4'-P-C4' energy: -108.610 flat angles P-C4'-P energy: -87.494 tors. eta vs tors. theta energy: 32.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3118.051782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.051782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.051782 (E_RNA) where: Base-Base interactions energy: -2130.012 where: short stacking energy: -916.677 Base-Backbone interact. energy: -2.817 local terms energy: -985.222387 where: bonds (distance) C4'-P energy: -182.354 bonds (distance) P-C4' energy: -180.224 flat angles C4'-P-C4' energy: -206.839 flat angles P-C4'-P energy: -140.861 tors. eta vs tors. theta energy: -274.945 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: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3128.789018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.789018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.789018 (E_RNA) where: Base-Base interactions energy: -2148.371 where: short stacking energy: -945.858 Base-Backbone interact. energy: -2.868 local terms energy: -977.550198 where: bonds (distance) C4'-P energy: -167.278 bonds (distance) P-C4' energy: -189.668 flat angles C4'-P-C4' energy: -191.432 flat angles P-C4'-P energy: -145.675 tors. eta vs tors. theta energy: -283.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2832.095127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.095127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.095127 (E_RNA) where: Base-Base interactions energy: -1931.492 where: short stacking energy: -845.360 Base-Backbone interact. energy: -5.034 local terms energy: -895.568628 where: bonds (distance) C4'-P energy: -154.863 bonds (distance) P-C4' energy: -179.083 flat angles C4'-P-C4' energy: -184.722 flat angles P-C4'-P energy: -122.367 tors. eta vs tors. theta energy: -254.533 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: 484 Temperature: 1.050000 Total energy: -2656.082505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.082505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.082505 (E_RNA) where: Base-Base interactions energy: -1809.802 where: short stacking energy: -777.650 Base-Backbone interact. energy: -0.923 local terms energy: -845.357779 where: bonds (distance) C4'-P energy: -162.544 bonds (distance) P-C4' energy: -171.095 flat angles C4'-P-C4' energy: -184.427 flat angles P-C4'-P energy: -111.980 tors. eta vs tors. theta energy: -215.310 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: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2501.903868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.903868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.903868 (E_RNA) where: Base-Base interactions energy: -1657.709 where: short stacking energy: -767.544 Base-Backbone interact. energy: -1.838 local terms energy: -842.357404 where: bonds (distance) C4'-P energy: -159.245 bonds (distance) P-C4' energy: -165.584 flat angles C4'-P-C4' energy: -186.523 flat angles P-C4'-P energy: -106.354 tors. eta vs tors. theta energy: -224.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2220.593056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.593056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.593056 (E_RNA) where: Base-Base interactions energy: -1449.742 where: short stacking energy: -672.144 Base-Backbone interact. energy: -4.021 local terms energy: -766.830397 where: bonds (distance) C4'-P energy: -152.600 bonds (distance) P-C4' energy: -160.489 flat angles C4'-P-C4' energy: -174.818 flat angles P-C4'-P energy: -108.733 tors. eta vs tors. theta energy: -170.191 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: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1900.055619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.055619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.055619 (E_RNA) where: Base-Base interactions energy: -1172.235 where: short stacking energy: -567.287 Base-Backbone interact. energy: 2.333 local terms energy: -730.153700 where: bonds (distance) C4'-P energy: -165.231 bonds (distance) P-C4' energy: -150.263 flat angles C4'-P-C4' energy: -167.975 flat angles P-C4'-P energy: -97.688 tors. eta vs tors. theta energy: -148.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1309.871081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.871081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.871081 (E_RNA) where: Base-Base interactions energy: -779.090 where: short stacking energy: -375.858 Base-Backbone interact. energy: 4.843 local terms energy: -535.623609 where: bonds (distance) C4'-P energy: -116.713 bonds (distance) P-C4' energy: -151.351 flat angles C4'-P-C4' energy: -139.090 flat angles P-C4'-P energy: -79.852 tors. eta vs tors. theta energy: -48.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1024.423733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.423733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.423733 (E_RNA) where: Base-Base interactions energy: -485.389 where: short stacking energy: -242.614 Base-Backbone interact. energy: 0.724 local terms energy: -539.759121 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -170.416 flat angles C4'-P-C4' energy: -132.111 flat angles P-C4'-P energy: -88.041 tors. eta vs tors. theta energy: -8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -677.702071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.702071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.702071 (E_RNA) where: Base-Base interactions energy: -258.962 where: short stacking energy: -200.812 Base-Backbone interact. energy: 0.159 local terms energy: -418.899717 where: bonds (distance) C4'-P energy: -117.504 bonds (distance) P-C4' energy: -154.061 flat angles C4'-P-C4' energy: -127.295 flat angles P-C4'-P energy: -56.488 tors. eta vs tors. theta energy: 36.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3114.117764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.117764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.117764 (E_RNA) where: Base-Base interactions energy: -2103.112 where: short stacking energy: -945.866 Base-Backbone interact. energy: -2.771 local terms energy: -1008.235721 where: bonds (distance) C4'-P energy: -177.930 bonds (distance) P-C4' energy: -186.171 flat angles C4'-P-C4' energy: -216.124 flat angles P-C4'-P energy: -139.227 tors. eta vs tors. theta energy: -288.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -3126.935319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.935319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.935319 (E_RNA) where: Base-Base interactions energy: -2152.221 where: short stacking energy: -917.606 Base-Backbone interact. energy: 0.601 local terms energy: -975.314785 where: bonds (distance) C4'-P energy: -180.071 bonds (distance) P-C4' energy: -185.328 flat angles C4'-P-C4' energy: -203.008 flat angles P-C4'-P energy: -142.683 tors. eta vs tors. theta energy: -264.226 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: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2812.146560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.146560 (E_RNA) where: Base-Base interactions energy: -1935.078 where: short stacking energy: -818.641 Base-Backbone interact. energy: 4.193 local terms energy: -881.262300 where: bonds (distance) C4'-P energy: -162.751 bonds (distance) P-C4' energy: -183.361 flat angles C4'-P-C4' energy: -184.171 flat angles P-C4'-P energy: -109.380 tors. eta vs tors. theta energy: -241.599 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: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2678.893002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.893002 (E_RNA) where: Base-Base interactions energy: -1829.351 where: short stacking energy: -782.381 Base-Backbone interact. energy: 1.654 local terms energy: -851.195362 where: bonds (distance) C4'-P energy: -151.953 bonds (distance) P-C4' energy: -181.112 flat angles C4'-P-C4' energy: -188.363 flat angles P-C4'-P energy: -107.165 tors. eta vs tors. theta energy: -222.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2499.289027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.289027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.289027 (E_RNA) where: Base-Base interactions energy: -1671.536 where: short stacking energy: -712.534 Base-Backbone interact. energy: -7.087 local terms energy: -820.665538 where: bonds (distance) C4'-P energy: -154.941 bonds (distance) P-C4' energy: -165.928 flat angles C4'-P-C4' energy: -178.756 flat angles P-C4'-P energy: -118.610 tors. eta vs tors. theta energy: -202.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2249.878879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.878879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.878879 (E_RNA) where: Base-Base interactions energy: -1460.468 where: short stacking energy: -671.909 Base-Backbone interact. energy: -2.053 local terms energy: -787.358297 where: bonds (distance) C4'-P energy: -158.637 bonds (distance) P-C4' energy: -158.527 flat angles C4'-P-C4' energy: -173.615 flat angles P-C4'-P energy: -118.819 tors. eta vs tors. theta energy: -177.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1863.715975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.715975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.715975 (E_RNA) where: Base-Base interactions energy: -1192.614 where: short stacking energy: -527.955 Base-Backbone interact. energy: 0.069 local terms energy: -671.171567 where: bonds (distance) C4'-P energy: -128.182 bonds (distance) P-C4' energy: -171.728 flat angles C4'-P-C4' energy: -163.320 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -126.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1234.879791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.879791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.879791 (E_RNA) where: Base-Base interactions energy: -683.312 where: short stacking energy: -327.109 Base-Backbone interact. energy: -0.152 local terms energy: -551.416291 where: bonds (distance) C4'-P energy: -148.474 bonds (distance) P-C4' energy: -171.032 flat angles C4'-P-C4' energy: -146.699 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -12.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1016.969930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.969930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.969930 (E_RNA) where: Base-Base interactions energy: -504.532 where: short stacking energy: -254.746 Base-Backbone interact. energy: 3.404 local terms energy: -515.842073 where: bonds (distance) C4'-P energy: -156.917 bonds (distance) P-C4' energy: -154.601 flat angles C4'-P-C4' energy: -126.483 flat angles P-C4'-P energy: -78.576 tors. eta vs tors. theta energy: 0.735 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: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -685.936368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.936368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.936368 (E_RNA) where: Base-Base interactions energy: -237.015 where: short stacking energy: -190.363 Base-Backbone interact. energy: -0.801 local terms energy: -448.120812 where: bonds (distance) C4'-P energy: -134.648 bonds (distance) P-C4' energy: -165.761 flat angles C4'-P-C4' energy: -108.709 flat angles P-C4'-P energy: -61.241 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: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3135.261016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.261016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.261016 (E_RNA) where: Base-Base interactions energy: -2139.680 where: short stacking energy: -930.528 Base-Backbone interact. energy: -0.203 local terms energy: -995.377908 where: bonds (distance) C4'-P energy: -173.651 bonds (distance) P-C4' energy: -181.472 flat angles C4'-P-C4' energy: -229.257 flat angles P-C4'-P energy: -137.668 tors. eta vs tors. theta energy: -273.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3063.132007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.132007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.132007 (E_RNA) where: Base-Base interactions energy: -2108.413 where: short stacking energy: -902.008 Base-Backbone interact. energy: -2.082 local terms energy: -952.636539 where: bonds (distance) C4'-P energy: -176.947 bonds (distance) P-C4' energy: -168.935 flat angles C4'-P-C4' energy: -201.837 flat angles P-C4'-P energy: -137.724 tors. eta vs tors. theta energy: -267.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2862.379684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.379684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.379684 (E_RNA) where: Base-Base interactions energy: -1956.965 where: short stacking energy: -840.386 Base-Backbone interact. energy: -1.388 local terms energy: -904.026138 where: bonds (distance) C4'-P energy: -159.712 bonds (distance) P-C4' energy: -175.498 flat angles C4'-P-C4' energy: -198.973 flat angles P-C4'-P energy: -114.966 tors. eta vs tors. theta energy: -254.877 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: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2691.642338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.642338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.642338 (E_RNA) where: Base-Base interactions energy: -1844.061 where: short stacking energy: -819.543 Base-Backbone interact. energy: -0.661 local terms energy: -846.920707 where: bonds (distance) C4'-P energy: -156.353 bonds (distance) P-C4' energy: -163.895 flat angles C4'-P-C4' energy: -183.987 flat angles P-C4'-P energy: -112.666 tors. eta vs tors. theta energy: -230.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2487.552494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.552494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.552494 (E_RNA) where: Base-Base interactions energy: -1626.862 where: short stacking energy: -739.793 Base-Backbone interact. energy: -1.736 local terms energy: -858.954868 where: bonds (distance) C4'-P energy: -175.470 bonds (distance) P-C4' energy: -158.978 flat angles C4'-P-C4' energy: -179.567 flat angles P-C4'-P energy: -133.579 tors. eta vs tors. theta energy: -211.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2245.637541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.637541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.637541 (E_RNA) where: Base-Base interactions energy: -1476.165 where: short stacking energy: -655.834 Base-Backbone interact. energy: 3.729 local terms energy: -773.201482 where: bonds (distance) C4'-P energy: -153.181 bonds (distance) P-C4' energy: -159.612 flat angles C4'-P-C4' energy: -190.208 flat angles P-C4'-P energy: -101.566 tors. eta vs tors. theta energy: -168.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1867.506129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.506129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.506129 (E_RNA) where: Base-Base interactions energy: -1194.377 where: short stacking energy: -554.340 Base-Backbone interact. energy: -0.509 local terms energy: -672.620993 where: bonds (distance) C4'-P energy: -137.431 bonds (distance) P-C4' energy: -165.730 flat angles C4'-P-C4' energy: -147.680 flat angles P-C4'-P energy: -103.630 tors. eta vs tors. theta energy: -118.150 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: 486 Temperature: 1.250000 Total energy: -1208.583285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.583285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.583285 (E_RNA) where: Base-Base interactions energy: -651.315 where: short stacking energy: -331.428 Base-Backbone interact. energy: -2.701 local terms energy: -554.567510 where: bonds (distance) C4'-P energy: -153.050 bonds (distance) P-C4' energy: -159.049 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -90.532 tors. eta vs tors. theta energy: -22.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1014.313043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.313043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.313043 (E_RNA) where: Base-Base interactions energy: -520.871 where: short stacking energy: -276.206 Base-Backbone interact. energy: 0.717 local terms energy: -494.159453 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -136.556 flat angles P-C4'-P energy: -74.728 tors. eta vs tors. theta energy: -9.039 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: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -719.507837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.507837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.507837 (E_RNA) where: Base-Base interactions energy: -254.816 where: short stacking energy: -204.807 Base-Backbone interact. energy: 2.183 local terms energy: -466.874458 where: bonds (distance) C4'-P energy: -154.278 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -65.378 tors. eta vs tors. theta energy: 19.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3192.929139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.929139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.929139 (E_RNA) where: Base-Base interactions energy: -2173.039 where: short stacking energy: -914.018 Base-Backbone interact. energy: -4.463 local terms energy: -1015.427311 where: bonds (distance) C4'-P energy: -187.149 bonds (distance) P-C4' energy: -193.555 flat angles C4'-P-C4' energy: -222.251 flat angles P-C4'-P energy: -146.211 tors. eta vs tors. theta energy: -266.262 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: 487 Temperature: 0.950000 Total energy: -3049.102744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.102744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.102744 (E_RNA) where: Base-Base interactions energy: -2087.406 where: short stacking energy: -913.587 Base-Backbone interact. energy: -4.384 local terms energy: -957.313406 where: bonds (distance) C4'-P energy: -163.483 bonds (distance) P-C4' energy: -166.399 flat angles C4'-P-C4' energy: -208.754 flat angles P-C4'-P energy: -133.519 tors. eta vs tors. theta energy: -285.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2877.156410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.156410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.156410 (E_RNA) where: Base-Base interactions energy: -1953.545 where: short stacking energy: -833.104 Base-Backbone interact. energy: -1.378 local terms energy: -922.232904 where: bonds (distance) C4'-P energy: -169.521 bonds (distance) P-C4' energy: -192.558 flat angles C4'-P-C4' energy: -181.166 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -257.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2634.544050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.544050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.544050 (E_RNA) where: Base-Base interactions energy: -1784.331 where: short stacking energy: -770.447 Base-Backbone interact. energy: -0.574 local terms energy: -849.639037 where: bonds (distance) C4'-P energy: -176.071 bonds (distance) P-C4' energy: -155.303 flat angles C4'-P-C4' energy: -181.504 flat angles P-C4'-P energy: -114.167 tors. eta vs tors. theta energy: -222.594 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: 5, replica: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2425.168166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.168166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.168166 (E_RNA) where: Base-Base interactions energy: -1590.444 where: short stacking energy: -714.342 Base-Backbone interact. energy: -5.014 local terms energy: -829.709967 where: bonds (distance) C4'-P energy: -168.285 bonds (distance) P-C4' energy: -163.665 flat angles C4'-P-C4' energy: -178.391 flat angles P-C4'-P energy: -116.589 tors. eta vs tors. theta energy: -202.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2250.697176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.697176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.697176 (E_RNA) where: Base-Base interactions energy: -1507.234 where: short stacking energy: -664.640 Base-Backbone interact. energy: -0.450 local terms energy: -743.013033 where: bonds (distance) C4'-P energy: -159.724 bonds (distance) P-C4' energy: -148.937 flat angles C4'-P-C4' energy: -162.824 flat angles P-C4'-P energy: -106.684 tors. eta vs tors. theta energy: -164.843 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: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1853.974621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.974621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.974621 (E_RNA) where: Base-Base interactions energy: -1183.876 where: short stacking energy: -545.438 Base-Backbone interact. energy: -0.580 local terms energy: -669.518186 where: bonds (distance) C4'-P energy: -146.869 bonds (distance) P-C4' energy: -167.440 flat angles C4'-P-C4' energy: -146.745 flat angles P-C4'-P energy: -105.754 tors. eta vs tors. theta energy: -102.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1320.721459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.721459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.721459 (E_RNA) where: Base-Base interactions energy: -723.677 where: short stacking energy: -395.441 Base-Backbone interact. energy: -0.953 local terms energy: -596.091784 where: bonds (distance) C4'-P energy: -148.443 bonds (distance) P-C4' energy: -152.857 flat angles C4'-P-C4' energy: -145.214 flat angles P-C4'-P energy: -96.199 tors. eta vs tors. theta energy: -53.379 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: 9, replica: 1 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1053.302736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.302736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.302736 (E_RNA) where: Base-Base interactions energy: -561.220 where: short stacking energy: -268.048 Base-Backbone interact. energy: 3.912 local terms energy: -495.994360 where: bonds (distance) C4'-P energy: -135.647 bonds (distance) P-C4' energy: -167.726 flat angles C4'-P-C4' energy: -124.407 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -724.648499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.648499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.648499 (E_RNA) where: Base-Base interactions energy: -273.940 where: short stacking energy: -206.050 Base-Backbone interact. energy: 8.859 local terms energy: -459.567363 where: bonds (distance) C4'-P energy: -137.909 bonds (distance) P-C4' energy: -145.833 flat angles C4'-P-C4' energy: -128.768 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: 25.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3179.735838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.735838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.735838 (E_RNA) where: Base-Base interactions energy: -2176.536 where: short stacking energy: -959.296 Base-Backbone interact. energy: -2.772 local terms energy: -1000.427859 where: bonds (distance) C4'-P energy: -192.235 bonds (distance) P-C4' energy: -184.238 flat angles C4'-P-C4' energy: -205.523 flat angles P-C4'-P energy: -137.237 tors. eta vs tors. theta energy: -281.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -3038.994805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.994805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.994805 (E_RNA) where: Base-Base interactions energy: -2069.989 where: short stacking energy: -928.201 Base-Backbone interact. energy: -1.350 local terms energy: -967.655524 where: bonds (distance) C4'-P energy: -153.407 bonds (distance) P-C4' energy: -177.751 flat angles C4'-P-C4' energy: -211.620 flat angles P-C4'-P energy: -136.347 tors. eta vs tors. theta energy: -288.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2885.979760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.979760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.979760 (E_RNA) where: Base-Base interactions energy: -1959.185 where: short stacking energy: -850.462 Base-Backbone interact. energy: -1.758 local terms energy: -925.036596 where: bonds (distance) C4'-P energy: -167.804 bonds (distance) P-C4' energy: -179.819 flat angles C4'-P-C4' energy: -206.426 flat angles P-C4'-P energy: -132.632 tors. eta vs tors. theta energy: -238.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2658.887771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.887771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.887771 (E_RNA) where: Base-Base interactions energy: -1810.550 where: short stacking energy: -812.439 Base-Backbone interact. energy: -0.563 local terms energy: -847.775056 where: bonds (distance) C4'-P energy: -159.956 bonds (distance) P-C4' energy: -172.180 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -121.240 tors. eta vs tors. theta energy: -216.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2488.905385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.905385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.905385 (E_RNA) where: Base-Base interactions energy: -1644.045 where: short stacking energy: -762.021 Base-Backbone interact. energy: -2.567 local terms energy: -842.293302 where: bonds (distance) C4'-P energy: -152.396 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -193.408 flat angles P-C4'-P energy: -118.579 tors. eta vs tors. theta energy: -227.598 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: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2226.493026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.493026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.493026 (E_RNA) where: Base-Base interactions energy: -1462.221 where: short stacking energy: -647.420 Base-Backbone interact. energy: 7.401 local terms energy: -771.673146 where: bonds (distance) C4'-P energy: -154.152 bonds (distance) P-C4' energy: -172.009 flat angles C4'-P-C4' energy: -182.171 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -168.851 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: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1844.844473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.844473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.844473 (E_RNA) where: Base-Base interactions energy: -1149.840 where: short stacking energy: -489.645 Base-Backbone interact. energy: 0.777 local terms energy: -695.781985 where: bonds (distance) C4'-P energy: -158.363 bonds (distance) P-C4' energy: -175.061 flat angles C4'-P-C4' energy: -157.219 flat angles P-C4'-P energy: -107.688 tors. eta vs tors. theta energy: -97.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1217.247520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.247520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.247520 (E_RNA) where: Base-Base interactions energy: -638.905 where: short stacking energy: -351.007 Base-Backbone interact. energy: 3.769 local terms energy: -582.111239 where: bonds (distance) C4'-P energy: -147.457 bonds (distance) P-C4' energy: -155.799 flat angles C4'-P-C4' energy: -134.380 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -53.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1023.362218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.362218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.362218 (E_RNA) where: Base-Base interactions energy: -529.163 where: short stacking energy: -282.864 Base-Backbone interact. energy: 5.242 local terms energy: -499.441587 where: bonds (distance) C4'-P energy: -142.270 bonds (distance) P-C4' energy: -155.193 flat angles C4'-P-C4' energy: -128.170 flat angles P-C4'-P energy: -71.363 tors. eta vs tors. theta energy: -2.445 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: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -734.004773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.004773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.004773 (E_RNA) where: Base-Base interactions energy: -247.765 where: short stacking energy: -175.132 Base-Backbone interact. energy: -2.650 local terms energy: -483.589947 where: bonds (distance) C4'-P energy: -146.525 bonds (distance) P-C4' energy: -164.070 flat angles C4'-P-C4' energy: -138.638 flat angles P-C4'-P energy: -70.981 tors. eta vs tors. theta energy: 36.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3149.833405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.833405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.833405 (E_RNA) where: Base-Base interactions energy: -2171.586 where: short stacking energy: -940.867 Base-Backbone interact. energy: -3.341 local terms energy: -974.906932 where: bonds (distance) C4'-P energy: -184.948 bonds (distance) P-C4' energy: -190.547 flat angles C4'-P-C4' energy: -198.710 flat angles P-C4'-P energy: -121.567 tors. eta vs tors. theta energy: -279.135 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: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -3024.995861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.995861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.995861 (E_RNA) where: Base-Base interactions energy: -2061.720 where: short stacking energy: -929.471 Base-Backbone interact. energy: -3.952 local terms energy: -959.322971 where: bonds (distance) C4'-P energy: -171.913 bonds (distance) P-C4' energy: -173.807 flat angles C4'-P-C4' energy: -200.360 flat angles P-C4'-P energy: -135.879 tors. eta vs tors. theta energy: -277.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2908.995062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.995062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.995062 (E_RNA) where: Base-Base interactions energy: -1971.826 where: short stacking energy: -863.393 Base-Backbone interact. energy: -3.556 local terms energy: -933.612513 where: bonds (distance) C4'-P energy: -170.009 bonds (distance) P-C4' energy: -192.353 flat angles C4'-P-C4' energy: -191.468 flat angles P-C4'-P energy: -125.047 tors. eta vs tors. theta energy: -254.736 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: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2722.315940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.315940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.315940 (E_RNA) where: Base-Base interactions energy: -1848.299 where: short stacking energy: -802.978 Base-Backbone interact. energy: -0.149 local terms energy: -873.867479 where: bonds (distance) C4'-P energy: -161.717 bonds (distance) P-C4' energy: -151.101 flat angles C4'-P-C4' energy: -210.040 flat angles P-C4'-P energy: -117.240 tors. eta vs tors. theta energy: -233.770 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: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2493.503736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.503736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.503736 (E_RNA) where: Base-Base interactions energy: -1671.873 where: short stacking energy: -738.961 Base-Backbone interact. energy: -2.315 local terms energy: -819.316147 where: bonds (distance) C4'-P energy: -166.425 bonds (distance) P-C4' energy: -158.495 flat angles C4'-P-C4' energy: -176.980 flat angles P-C4'-P energy: -113.494 tors. eta vs tors. theta energy: -203.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2253.800964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.800964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.800964 (E_RNA) where: Base-Base interactions energy: -1483.471 where: short stacking energy: -627.726 Base-Backbone interact. energy: -1.985 local terms energy: -768.345101 where: bonds (distance) C4'-P energy: -167.583 bonds (distance) P-C4' energy: -164.152 flat angles C4'-P-C4' energy: -170.860 flat angles P-C4'-P energy: -113.677 tors. eta vs tors. theta energy: -152.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1929.049095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.049095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.049095 (E_RNA) where: Base-Base interactions energy: -1210.512 where: short stacking energy: -558.014 Base-Backbone interact. energy: 2.908 local terms energy: -721.445021 where: bonds (distance) C4'-P energy: -161.950 bonds (distance) P-C4' energy: -157.529 flat angles C4'-P-C4' energy: -161.711 flat angles P-C4'-P energy: -120.072 tors. eta vs tors. theta energy: -120.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1212.361090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.361090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.361090 (E_RNA) where: Base-Base interactions energy: -664.535 where: short stacking energy: -333.286 Base-Backbone interact. energy: 6.050 local terms energy: -553.875886 where: bonds (distance) C4'-P energy: -160.073 bonds (distance) P-C4' energy: -160.723 flat angles C4'-P-C4' energy: -148.803 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: -18.375 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: 489 Temperature: 1.300000 Total energy: -1019.146383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.146383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.146383 (E_RNA) where: Base-Base interactions energy: -508.431 where: short stacking energy: -274.458 Base-Backbone interact. energy: 2.674 local terms energy: -513.389824 where: bonds (distance) C4'-P energy: -164.342 bonds (distance) P-C4' energy: -153.690 flat angles C4'-P-C4' energy: -116.778 flat angles P-C4'-P energy: -75.385 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -700.707599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.707599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.707599 (E_RNA) where: Base-Base interactions energy: -281.375 where: short stacking energy: -226.415 Base-Backbone interact. energy: -0.398 local terms energy: -418.934159 where: bonds (distance) C4'-P energy: -136.759 bonds (distance) P-C4' energy: -150.708 flat angles C4'-P-C4' energy: -93.484 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: 23.680 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: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3176.021051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.021051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.021051 (E_RNA) where: Base-Base interactions energy: -2188.197 where: short stacking energy: -942.074 Base-Backbone interact. energy: -3.117 local terms energy: -984.706969 where: bonds (distance) C4'-P energy: -178.596 bonds (distance) P-C4' energy: -189.190 flat angles C4'-P-C4' energy: -207.598 flat angles P-C4'-P energy: -133.831 tors. eta vs tors. theta energy: -275.492 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: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -3020.127266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.127266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.127266 (E_RNA) where: Base-Base interactions energy: -2052.946 where: short stacking energy: -914.960 Base-Backbone interact. energy: -3.564 local terms energy: -963.617248 where: bonds (distance) C4'-P energy: -176.432 bonds (distance) P-C4' energy: -175.297 flat angles C4'-P-C4' energy: -202.768 flat angles P-C4'-P energy: -137.723 tors. eta vs tors. theta energy: -271.397 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: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2863.417012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.417012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.417012 (E_RNA) where: Base-Base interactions energy: -1973.380 where: short stacking energy: -874.778 Base-Backbone interact. energy: 0.272 local terms energy: -890.308973 where: bonds (distance) C4'-P energy: -160.175 bonds (distance) P-C4' energy: -158.700 flat angles C4'-P-C4' energy: -200.116 flat angles P-C4'-P energy: -119.958 tors. eta vs tors. theta energy: -251.360 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: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2765.694298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.694298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.694298 (E_RNA) where: Base-Base interactions energy: -1866.296 where: short stacking energy: -818.590 Base-Backbone interact. energy: -3.762 local terms energy: -895.636770 where: bonds (distance) C4'-P energy: -165.063 bonds (distance) P-C4' energy: -162.977 flat angles C4'-P-C4' energy: -193.450 flat angles P-C4'-P energy: -122.436 tors. eta vs tors. theta energy: -251.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2485.113983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.113983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.113983 (E_RNA) where: Base-Base interactions energy: -1687.132 where: short stacking energy: -717.491 Base-Backbone interact. energy: -1.420 local terms energy: -796.562325 where: bonds (distance) C4'-P energy: -152.598 bonds (distance) P-C4' energy: -149.762 flat angles C4'-P-C4' energy: -176.219 flat angles P-C4'-P energy: -119.405 tors. eta vs tors. theta energy: -198.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2267.662335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.662335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.662335 (E_RNA) where: Base-Base interactions energy: -1526.994 where: short stacking energy: -664.162 Base-Backbone interact. energy: -1.645 local terms energy: -739.023281 where: bonds (distance) C4'-P energy: -150.749 bonds (distance) P-C4' energy: -160.666 flat angles C4'-P-C4' energy: -169.583 flat angles P-C4'-P energy: -94.203 tors. eta vs tors. theta energy: -163.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1864.073045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.073045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.073045 (E_RNA) where: Base-Base interactions energy: -1200.364 where: short stacking energy: -552.779 Base-Backbone interact. energy: 3.342 local terms energy: -667.050678 where: bonds (distance) C4'-P energy: -154.163 bonds (distance) P-C4' energy: -144.079 flat angles C4'-P-C4' energy: -170.839 flat angles P-C4'-P energy: -62.371 tors. eta vs tors. theta energy: -135.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1232.084330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.084330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.084330 (E_RNA) where: Base-Base interactions energy: -684.942 where: short stacking energy: -362.253 Base-Backbone interact. energy: 5.455 local terms energy: -552.597273 where: bonds (distance) C4'-P energy: -127.871 bonds (distance) P-C4' energy: -178.335 flat angles C4'-P-C4' energy: -140.881 flat angles P-C4'-P energy: -80.889 tors. eta vs tors. theta energy: -24.622 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: 490 Temperature: 1.300000 Total energy: -1023.268218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.268218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.268218 (E_RNA) where: Base-Base interactions energy: -493.908 where: short stacking energy: -290.171 Base-Backbone interact. energy: -1.536 local terms energy: -527.824290 where: bonds (distance) C4'-P energy: -154.218 bonds (distance) P-C4' energy: -155.931 flat angles C4'-P-C4' energy: -142.359 flat angles P-C4'-P energy: -76.682 tors. eta vs tors. theta energy: 1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -656.119840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.119840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.119840 (E_RNA) where: Base-Base interactions energy: -236.566 where: short stacking energy: -188.198 Base-Backbone interact. energy: -0.078 local terms energy: -419.475176 where: bonds (distance) C4'-P energy: -137.939 bonds (distance) P-C4' energy: -135.008 flat angles C4'-P-C4' energy: -126.382 flat angles P-C4'-P energy: -56.443 tors. eta vs tors. theta energy: 36.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3166.617245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.617245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.617245 (E_RNA) where: Base-Base interactions energy: -2152.726 where: short stacking energy: -935.006 Base-Backbone interact. energy: -3.613 local terms energy: -1010.278657 where: bonds (distance) C4'-P energy: -181.608 bonds (distance) P-C4' energy: -188.526 flat angles C4'-P-C4' energy: -215.270 flat angles P-C4'-P energy: -137.668 tors. eta vs tors. theta energy: -287.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -3019.463516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.463516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.463516 (E_RNA) where: Base-Base interactions energy: -2068.481 where: short stacking energy: -893.443 Base-Backbone interact. energy: 0.518 local terms energy: -951.500812 where: bonds (distance) C4'-P energy: -173.411 bonds (distance) P-C4' energy: -180.650 flat angles C4'-P-C4' energy: -195.601 flat angles P-C4'-P energy: -124.710 tors. eta vs tors. theta energy: -277.130 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: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2870.322719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.322719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.322719 (E_RNA) where: Base-Base interactions energy: -1989.682 where: short stacking energy: -842.469 Base-Backbone interact. energy: -0.947 local terms energy: -879.692982 where: bonds (distance) C4'-P energy: -172.393 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -182.283 flat angles P-C4'-P energy: -117.255 tors. eta vs tors. theta energy: -247.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2685.249217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.249217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.249217 (E_RNA) where: Base-Base interactions energy: -1845.340 where: short stacking energy: -776.976 Base-Backbone interact. energy: -4.998 local terms energy: -834.911593 where: bonds (distance) C4'-P energy: -159.368 bonds (distance) P-C4' energy: -163.707 flat angles C4'-P-C4' energy: -172.279 flat angles P-C4'-P energy: -106.715 tors. eta vs tors. theta energy: -232.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2417.358380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.358380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.358380 (E_RNA) where: Base-Base interactions energy: -1605.166 where: short stacking energy: -718.588 Base-Backbone interact. energy: -4.881 local terms energy: -807.311071 where: bonds (distance) C4'-P energy: -157.793 bonds (distance) P-C4' energy: -180.215 flat angles C4'-P-C4' energy: -187.116 flat angles P-C4'-P energy: -86.351 tors. eta vs tors. theta energy: -195.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2330.260581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.260581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.260581 (E_RNA) where: Base-Base interactions energy: -1514.090 where: short stacking energy: -683.530 Base-Backbone interact. energy: -2.831 local terms energy: -813.338984 where: bonds (distance) C4'-P energy: -160.750 bonds (distance) P-C4' energy: -169.748 flat angles C4'-P-C4' energy: -201.643 flat angles P-C4'-P energy: -105.358 tors. eta vs tors. theta energy: -175.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1889.650218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.650218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.650218 (E_RNA) where: Base-Base interactions energy: -1169.933 where: short stacking energy: -491.729 Base-Backbone interact. energy: -0.868 local terms energy: -718.849477 where: bonds (distance) C4'-P energy: -182.835 bonds (distance) P-C4' energy: -165.418 flat angles C4'-P-C4' energy: -158.616 flat angles P-C4'-P energy: -97.199 tors. eta vs tors. theta energy: -114.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1305.545953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.545953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.545953 (E_RNA) where: Base-Base interactions energy: -717.513 where: short stacking energy: -372.300 Base-Backbone interact. energy: -2.051 local terms energy: -585.982452 where: bonds (distance) C4'-P energy: -147.800 bonds (distance) P-C4' energy: -126.167 flat angles C4'-P-C4' energy: -164.666 flat angles P-C4'-P energy: -98.833 tors. eta vs tors. theta energy: -48.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1021.228144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.228144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.228144 (E_RNA) where: Base-Base interactions energy: -526.900 where: short stacking energy: -268.895 Base-Backbone interact. energy: 2.361 local terms energy: -496.688934 where: bonds (distance) C4'-P energy: -146.180 bonds (distance) P-C4' energy: -148.315 flat angles C4'-P-C4' energy: -132.204 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -666.874586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.874586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.874586 (E_RNA) where: Base-Base interactions energy: -216.880 where: short stacking energy: -198.813 Base-Backbone interact. energy: 1.881 local terms energy: -451.875401 where: bonds (distance) C4'-P energy: -123.189 bonds (distance) P-C4' energy: -165.750 flat angles C4'-P-C4' energy: -127.020 flat angles P-C4'-P energy: -78.801 tors. eta vs tors. theta energy: 42.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3197.856603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.856603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.856603 (E_RNA) where: Base-Base interactions energy: -2185.147 where: short stacking energy: -950.546 Base-Backbone interact. energy: -4.348 local terms energy: -1008.361996 where: bonds (distance) C4'-P energy: -184.366 bonds (distance) P-C4' energy: -172.369 flat angles C4'-P-C4' energy: -208.562 flat angles P-C4'-P energy: -151.184 tors. eta vs tors. theta energy: -291.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -3039.409426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.409426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.409426 (E_RNA) where: Base-Base interactions energy: -2091.236 where: short stacking energy: -927.769 Base-Backbone interact. energy: 0.917 local terms energy: -949.089635 where: bonds (distance) C4'-P energy: -170.750 bonds (distance) P-C4' energy: -168.988 flat angles C4'-P-C4' energy: -210.262 flat angles P-C4'-P energy: -120.175 tors. eta vs tors. theta energy: -278.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2864.959294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.959294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.959294 (E_RNA) where: Base-Base interactions energy: -1965.485 where: short stacking energy: -836.791 Base-Backbone interact. energy: -1.870 local terms energy: -897.604799 where: bonds (distance) C4'-P energy: -178.024 bonds (distance) P-C4' energy: -179.762 flat angles C4'-P-C4' energy: -195.173 flat angles P-C4'-P energy: -116.283 tors. eta vs tors. theta energy: -228.363 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: 492 Temperature: 1.050000 Total energy: -2624.258707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.258707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.258707 (E_RNA) where: Base-Base interactions energy: -1765.687 where: short stacking energy: -763.087 Base-Backbone interact. energy: -3.842 local terms energy: -854.729991 where: bonds (distance) C4'-P energy: -158.305 bonds (distance) P-C4' energy: -162.551 flat angles C4'-P-C4' energy: -191.254 flat angles P-C4'-P energy: -111.417 tors. eta vs tors. theta energy: -231.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2442.676517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.676517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.676517 (E_RNA) where: Base-Base interactions energy: -1629.415 where: short stacking energy: -727.325 Base-Backbone interact. energy: -4.234 local terms energy: -809.027386 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -162.234 flat angles C4'-P-C4' energy: -172.464 flat angles P-C4'-P energy: -104.783 tors. eta vs tors. theta energy: -209.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2261.887633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.887633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.887633 (E_RNA) where: Base-Base interactions energy: -1517.228 where: short stacking energy: -644.587 Base-Backbone interact. energy: -4.556 local terms energy: -740.103414 where: bonds (distance) C4'-P energy: -139.791 bonds (distance) P-C4' energy: -147.017 flat angles C4'-P-C4' energy: -183.853 flat angles P-C4'-P energy: -108.418 tors. eta vs tors. theta energy: -161.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1891.166624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.166624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.166624 (E_RNA) where: Base-Base interactions energy: -1220.621 where: short stacking energy: -542.742 Base-Backbone interact. energy: -4.770 local terms energy: -665.775101 where: bonds (distance) C4'-P energy: -141.393 bonds (distance) P-C4' energy: -142.944 flat angles C4'-P-C4' energy: -157.921 flat angles P-C4'-P energy: -95.054 tors. eta vs tors. theta energy: -128.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1235.617388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.617388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.617388 (E_RNA) where: Base-Base interactions energy: -679.366 where: short stacking energy: -357.117 Base-Backbone interact. energy: 3.101 local terms energy: -559.351695 where: bonds (distance) C4'-P energy: -138.296 bonds (distance) P-C4' energy: -160.034 flat angles C4'-P-C4' energy: -153.856 flat angles P-C4'-P energy: -83.875 tors. eta vs tors. theta energy: -23.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1018.869183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.869183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.869183 (E_RNA) where: Base-Base interactions energy: -482.931 where: short stacking energy: -256.058 Base-Backbone interact. energy: 2.595 local terms energy: -538.532291 where: bonds (distance) C4'-P energy: -147.880 bonds (distance) P-C4' energy: -181.610 flat angles C4'-P-C4' energy: -120.280 flat angles P-C4'-P energy: -77.939 tors. eta vs tors. theta energy: -10.824 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: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -681.110604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.110604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.110604 (E_RNA) where: Base-Base interactions energy: -235.824 where: short stacking energy: -186.795 Base-Backbone interact. energy: -1.825 local terms energy: -443.461420 where: bonds (distance) C4'-P energy: -164.049 bonds (distance) P-C4' energy: -140.609 flat angles C4'-P-C4' energy: -114.229 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: 46.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3190.892633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.892633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.892633 (E_RNA) where: Base-Base interactions energy: -2202.807 where: short stacking energy: -927.609 Base-Backbone interact. energy: 0.654 local terms energy: -988.740111 where: bonds (distance) C4'-P energy: -177.245 bonds (distance) P-C4' energy: -175.443 flat angles C4'-P-C4' energy: -212.463 flat angles P-C4'-P energy: -142.181 tors. eta vs tors. theta energy: -281.409 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: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -3052.722652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.722652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.722652 (E_RNA) where: Base-Base interactions energy: -2095.516 where: short stacking energy: -905.076 Base-Backbone interact. energy: -1.535 local terms energy: -955.672082 where: bonds (distance) C4'-P energy: -172.568 bonds (distance) P-C4' energy: -180.217 flat angles C4'-P-C4' energy: -196.088 flat angles P-C4'-P energy: -125.329 tors. eta vs tors. theta energy: -281.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2864.682198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.682198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.682198 (E_RNA) where: Base-Base interactions energy: -1971.370 where: short stacking energy: -857.070 Base-Backbone interact. energy: -3.068 local terms energy: -890.244322 where: bonds (distance) C4'-P energy: -172.404 bonds (distance) P-C4' energy: -163.304 flat angles C4'-P-C4' energy: -193.946 flat angles P-C4'-P energy: -110.937 tors. eta vs tors. theta energy: -249.653 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: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2606.258124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.258124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.258124 (E_RNA) where: Base-Base interactions energy: -1763.461 where: short stacking energy: -783.687 Base-Backbone interact. energy: -2.580 local terms energy: -840.216433 where: bonds (distance) C4'-P energy: -161.019 bonds (distance) P-C4' energy: -156.590 flat angles C4'-P-C4' energy: -184.494 flat angles P-C4'-P energy: -102.731 tors. eta vs tors. theta energy: -235.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2469.649860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.649860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.649860 (E_RNA) where: Base-Base interactions energy: -1603.408 where: short stacking energy: -764.155 Base-Backbone interact. energy: -0.223 local terms energy: -866.019136 where: bonds (distance) C4'-P energy: -171.906 bonds (distance) P-C4' energy: -178.277 flat angles C4'-P-C4' energy: -205.270 flat angles P-C4'-P energy: -102.049 tors. eta vs tors. theta energy: -208.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2286.279577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.279577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.279577 (E_RNA) where: Base-Base interactions energy: -1518.763 where: short stacking energy: -670.060 Base-Backbone interact. energy: 1.408 local terms energy: -768.924961 where: bonds (distance) C4'-P energy: -158.657 bonds (distance) P-C4' energy: -167.082 flat angles C4'-P-C4' energy: -156.368 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -175.243 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: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1926.072282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.072282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.072282 (E_RNA) where: Base-Base interactions energy: -1232.731 where: short stacking energy: -528.665 Base-Backbone interact. energy: 3.445 local terms energy: -696.786156 where: bonds (distance) C4'-P energy: -141.161 bonds (distance) P-C4' energy: -155.522 flat angles C4'-P-C4' energy: -162.746 flat angles P-C4'-P energy: -105.177 tors. eta vs tors. theta energy: -132.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1225.356112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.356112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.356112 (E_RNA) where: Base-Base interactions energy: -625.380 where: short stacking energy: -340.716 Base-Backbone interact. energy: 1.056 local terms energy: -601.031976 where: bonds (distance) C4'-P energy: -155.401 bonds (distance) P-C4' energy: -166.498 flat angles C4'-P-C4' energy: -155.134 flat angles P-C4'-P energy: -95.402 tors. eta vs tors. theta energy: -28.596 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: 9, replica: 1 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -950.208189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.208189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.208189 (E_RNA) where: Base-Base interactions energy: -452.760 where: short stacking energy: -260.914 Base-Backbone interact. energy: -1.106 local terms energy: -496.342412 where: bonds (distance) C4'-P energy: -118.052 bonds (distance) P-C4' energy: -150.671 flat angles C4'-P-C4' energy: -145.951 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -690.979117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.979117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.979117 (E_RNA) where: Base-Base interactions energy: -217.737 where: short stacking energy: -197.498 Base-Backbone interact. energy: 2.978 local terms energy: -476.219887 where: bonds (distance) C4'-P energy: -164.668 bonds (distance) P-C4' energy: -133.524 flat angles C4'-P-C4' energy: -120.907 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: 23.326 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: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3161.642831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.642831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.642831 (E_RNA) where: Base-Base interactions energy: -2169.139 where: short stacking energy: -929.519 Base-Backbone interact. energy: -2.059 local terms energy: -990.444647 where: bonds (distance) C4'-P energy: -175.361 bonds (distance) P-C4' energy: -187.949 flat angles C4'-P-C4' energy: -212.722 flat angles P-C4'-P energy: -137.597 tors. eta vs tors. theta energy: -276.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3039.096966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.096966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.096966 (E_RNA) where: Base-Base interactions energy: -2076.297 where: short stacking energy: -902.816 Base-Backbone interact. energy: -4.188 local terms energy: -958.612179 where: bonds (distance) C4'-P energy: -176.937 bonds (distance) P-C4' energy: -182.884 flat angles C4'-P-C4' energy: -201.581 flat angles P-C4'-P energy: -125.947 tors. eta vs tors. theta energy: -271.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2855.853371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.853371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.853371 (E_RNA) where: Base-Base interactions energy: -1929.734 where: short stacking energy: -799.131 Base-Backbone interact. energy: -3.265 local terms energy: -922.854461 where: bonds (distance) C4'-P energy: -175.331 bonds (distance) P-C4' energy: -156.037 flat angles C4'-P-C4' energy: -203.840 flat angles P-C4'-P energy: -132.138 tors. eta vs tors. theta energy: -255.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2680.009548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.009548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.009548 (E_RNA) where: Base-Base interactions energy: -1804.705 where: short stacking energy: -780.818 Base-Backbone interact. energy: -4.728 local terms energy: -870.577314 where: bonds (distance) C4'-P energy: -160.710 bonds (distance) P-C4' energy: -156.126 flat angles C4'-P-C4' energy: -182.584 flat angles P-C4'-P energy: -125.405 tors. eta vs tors. theta energy: -245.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2519.778119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.778119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.778119 (E_RNA) where: Base-Base interactions energy: -1685.806 where: short stacking energy: -756.451 Base-Backbone interact. energy: 5.496 local terms energy: -839.467314 where: bonds (distance) C4'-P energy: -151.358 bonds (distance) P-C4' energy: -157.852 flat angles C4'-P-C4' energy: -189.585 flat angles P-C4'-P energy: -118.549 tors. eta vs tors. theta energy: -222.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2306.463511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.463511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.463511 (E_RNA) where: Base-Base interactions energy: -1530.186 where: short stacking energy: -681.218 Base-Backbone interact. energy: -2.311 local terms energy: -773.966968 where: bonds (distance) C4'-P energy: -143.832 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -164.204 flat angles P-C4'-P energy: -125.363 tors. eta vs tors. theta energy: -184.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1921.271494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.271494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.271494 (E_RNA) where: Base-Base interactions energy: -1218.071 where: short stacking energy: -578.652 Base-Backbone interact. energy: 1.484 local terms energy: -704.684626 where: bonds (distance) C4'-P energy: -160.250 bonds (distance) P-C4' energy: -143.986 flat angles C4'-P-C4' energy: -158.355 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -139.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1161.750586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.750586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.750586 (E_RNA) where: Base-Base interactions energy: -618.387 where: short stacking energy: -342.848 Base-Backbone interact. energy: 4.937 local terms energy: -548.300109 where: bonds (distance) C4'-P energy: -149.526 bonds (distance) P-C4' energy: -155.948 flat angles C4'-P-C4' energy: -140.546 flat angles P-C4'-P energy: -83.783 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1010.026818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.026818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.026818 (E_RNA) where: Base-Base interactions energy: -519.441 where: short stacking energy: -290.867 Base-Backbone interact. energy: 7.877 local terms energy: -498.462109 where: bonds (distance) C4'-P energy: -144.426 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -133.486 flat angles P-C4'-P energy: -79.919 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -756.390705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.390705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.390705 (E_RNA) where: Base-Base interactions energy: -325.398 where: short stacking energy: -215.968 Base-Backbone interact. energy: 4.984 local terms energy: -435.976475 where: bonds (distance) C4'-P energy: -139.318 bonds (distance) P-C4' energy: -152.372 flat angles C4'-P-C4' energy: -99.281 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: 16.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3163.183814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.183814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.183814 (E_RNA) where: Base-Base interactions energy: -2201.807 where: short stacking energy: -951.747 Base-Backbone interact. energy: 0.016 local terms energy: -961.393189 where: bonds (distance) C4'-P energy: -177.786 bonds (distance) P-C4' energy: -176.844 flat angles C4'-P-C4' energy: -198.756 flat angles P-C4'-P energy: -137.783 tors. eta vs tors. theta energy: -270.224 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: 2, replica: 7 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -3063.405818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.405818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.405818 (E_RNA) where: Base-Base interactions energy: -2090.458 where: short stacking energy: -900.248 Base-Backbone interact. energy: -0.656 local terms energy: -972.292156 where: bonds (distance) C4'-P energy: -195.899 bonds (distance) P-C4' energy: -172.143 flat angles C4'-P-C4' energy: -190.548 flat angles P-C4'-P energy: -135.167 tors. eta vs tors. theta energy: -278.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2886.172738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.172738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.172738 (E_RNA) where: Base-Base interactions energy: -1955.006 where: short stacking energy: -835.133 Base-Backbone interact. energy: -2.123 local terms energy: -929.043528 where: bonds (distance) C4'-P energy: -173.266 bonds (distance) P-C4' energy: -179.062 flat angles C4'-P-C4' energy: -190.581 flat angles P-C4'-P energy: -132.600 tors. eta vs tors. theta energy: -253.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2674.455145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.455145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.455145 (E_RNA) where: Base-Base interactions energy: -1801.772 where: short stacking energy: -786.377 Base-Backbone interact. energy: -1.858 local terms energy: -870.825397 where: bonds (distance) C4'-P energy: -159.214 bonds (distance) P-C4' energy: -172.181 flat angles C4'-P-C4' energy: -182.884 flat angles P-C4'-P energy: -122.890 tors. eta vs tors. theta energy: -233.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2522.202491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.202491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.202491 (E_RNA) where: Base-Base interactions energy: -1668.872 where: short stacking energy: -718.887 Base-Backbone interact. energy: 1.199 local terms energy: -854.529386 where: bonds (distance) C4'-P energy: -153.019 bonds (distance) P-C4' energy: -174.278 flat angles C4'-P-C4' energy: -178.989 flat angles P-C4'-P energy: -133.434 tors. eta vs tors. theta energy: -214.809 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: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2313.934456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.934456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.934456 (E_RNA) where: Base-Base interactions energy: -1539.325 where: short stacking energy: -667.919 Base-Backbone interact. energy: 2.818 local terms energy: -777.427181 where: bonds (distance) C4'-P energy: -137.459 bonds (distance) P-C4' energy: -147.351 flat angles C4'-P-C4' energy: -185.851 flat angles P-C4'-P energy: -120.529 tors. eta vs tors. theta energy: -186.237 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: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1857.940833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.940833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.940833 (E_RNA) where: Base-Base interactions energy: -1172.585 where: short stacking energy: -538.998 Base-Backbone interact. energy: -2.989 local terms energy: -682.367047 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -154.599 flat angles C4'-P-C4' energy: -166.252 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -107.712 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: 3 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1262.734353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.734353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.734353 (E_RNA) where: Base-Base interactions energy: -652.594 where: short stacking energy: -363.983 Base-Backbone interact. energy: -0.348 local terms energy: -609.791873 where: bonds (distance) C4'-P energy: -159.810 bonds (distance) P-C4' energy: -162.515 flat angles C4'-P-C4' energy: -145.934 flat angles P-C4'-P energy: -99.613 tors. eta vs tors. theta energy: -41.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -979.049482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.049482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.049482 (E_RNA) where: Base-Base interactions energy: -489.037 where: short stacking energy: -276.300 Base-Backbone interact. energy: -0.988 local terms energy: -489.024417 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -144.170 flat angles C4'-P-C4' energy: -123.337 flat angles P-C4'-P energy: -96.949 tors. eta vs tors. theta energy: 1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -765.111237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.111237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.111237 (E_RNA) where: Base-Base interactions energy: -301.371 where: short stacking energy: -222.514 Base-Backbone interact. energy: 3.301 local terms energy: -467.040930 where: bonds (distance) C4'-P energy: -138.034 bonds (distance) P-C4' energy: -139.632 flat angles C4'-P-C4' energy: -128.567 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: 11.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3136.265138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.265138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.265138 (E_RNA) where: Base-Base interactions energy: -2152.049 where: short stacking energy: -921.344 Base-Backbone interact. energy: -0.175 local terms energy: -984.040773 where: bonds (distance) C4'-P energy: -174.827 bonds (distance) P-C4' energy: -177.724 flat angles C4'-P-C4' energy: -217.985 flat angles P-C4'-P energy: -143.623 tors. eta vs tors. theta energy: -269.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3040.076234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.076234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.076234 (E_RNA) where: Base-Base interactions energy: -2068.723 where: short stacking energy: -891.435 Base-Backbone interact. energy: -2.640 local terms energy: -968.712965 where: bonds (distance) C4'-P energy: -165.407 bonds (distance) P-C4' energy: -170.742 flat angles C4'-P-C4' energy: -208.718 flat angles P-C4'-P energy: -144.077 tors. eta vs tors. theta energy: -279.769 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: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2846.195724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.195724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.195724 (E_RNA) where: Base-Base interactions energy: -1933.702 where: short stacking energy: -817.058 Base-Backbone interact. energy: -4.934 local terms energy: -907.559508 where: bonds (distance) C4'-P energy: -154.612 bonds (distance) P-C4' energy: -165.966 flat angles C4'-P-C4' energy: -201.204 flat angles P-C4'-P energy: -142.273 tors. eta vs tors. theta energy: -243.504 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: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2654.377877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.377877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.377877 (E_RNA) where: Base-Base interactions energy: -1758.671 where: short stacking energy: -785.606 Base-Backbone interact. energy: 0.053 local terms energy: -895.759390 where: bonds (distance) C4'-P energy: -167.651 bonds (distance) P-C4' energy: -182.502 flat angles C4'-P-C4' energy: -168.440 flat angles P-C4'-P energy: -133.594 tors. eta vs tors. theta energy: -243.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2476.481420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.481420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.481420 (E_RNA) where: Base-Base interactions energy: -1626.893 where: short stacking energy: -718.787 Base-Backbone interact. energy: -4.023 local terms energy: -845.565952 where: bonds (distance) C4'-P energy: -163.982 bonds (distance) P-C4' energy: -168.806 flat angles C4'-P-C4' energy: -200.581 flat angles P-C4'-P energy: -113.908 tors. eta vs tors. theta energy: -198.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2287.428105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.428105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.428105 (E_RNA) where: Base-Base interactions energy: -1521.456 where: short stacking energy: -652.942 Base-Backbone interact. energy: -1.678 local terms energy: -764.294873 where: bonds (distance) C4'-P energy: -138.429 bonds (distance) P-C4' energy: -162.322 flat angles C4'-P-C4' energy: -167.785 flat angles P-C4'-P energy: -124.827 tors. eta vs tors. theta energy: -170.932 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: 7, replica: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1897.752585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.752585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.752585 (E_RNA) where: Base-Base interactions energy: -1235.844 where: short stacking energy: -566.781 Base-Backbone interact. energy: 0.415 local terms energy: -662.324272 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -149.809 flat angles C4'-P-C4' energy: -133.528 flat angles P-C4'-P energy: -119.458 tors. eta vs tors. theta energy: -105.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1219.061136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.061136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.061136 (E_RNA) where: Base-Base interactions energy: -639.763 where: short stacking energy: -326.665 Base-Backbone interact. energy: -3.497 local terms energy: -575.800191 where: bonds (distance) C4'-P energy: -154.015 bonds (distance) P-C4' energy: -162.188 flat angles C4'-P-C4' energy: -144.896 flat angles P-C4'-P energy: -90.781 tors. eta vs tors. theta energy: -23.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -936.291950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.291950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.291950 (E_RNA) where: Base-Base interactions energy: -471.876 where: short stacking energy: -264.140 Base-Backbone interact. energy: 3.641 local terms energy: -468.057385 where: bonds (distance) C4'-P energy: -135.538 bonds (distance) P-C4' energy: -139.030 flat angles C4'-P-C4' energy: -128.519 flat angles P-C4'-P energy: -75.195 tors. eta vs tors. theta energy: 10.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -788.479668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.479668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.479668 (E_RNA) where: Base-Base interactions energy: -296.610 where: short stacking energy: -205.459 Base-Backbone interact. energy: 0.152 local terms energy: -492.020980 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -163.032 flat angles C4'-P-C4' energy: -138.211 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: 39.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3154.932704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.932704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.932704 (E_RNA) where: Base-Base interactions energy: -2150.121 where: short stacking energy: -948.388 Base-Backbone interact. energy: -3.275 local terms energy: -1001.535845 where: bonds (distance) C4'-P energy: -163.281 bonds (distance) P-C4' energy: -196.071 flat angles C4'-P-C4' energy: -220.286 flat angles P-C4'-P energy: -146.228 tors. eta vs tors. theta energy: -275.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -3041.310955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.310955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.310955 (E_RNA) where: Base-Base interactions energy: -2068.085 where: short stacking energy: -907.509 Base-Backbone interact. energy: -3.460 local terms energy: -969.766061 where: bonds (distance) C4'-P energy: -169.727 bonds (distance) P-C4' energy: -192.469 flat angles C4'-P-C4' energy: -213.492 flat angles P-C4'-P energy: -119.765 tors. eta vs tors. theta energy: -274.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2928.233497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.233497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.233497 (E_RNA) where: Base-Base interactions energy: -2007.507 where: short stacking energy: -876.787 Base-Backbone interact. energy: 0.491 local terms energy: -921.217753 where: bonds (distance) C4'-P energy: -169.950 bonds (distance) P-C4' energy: -176.707 flat angles C4'-P-C4' energy: -192.087 flat angles P-C4'-P energy: -132.383 tors. eta vs tors. theta energy: -250.090 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: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2699.120647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.120647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.120647 (E_RNA) where: Base-Base interactions energy: -1849.305 where: short stacking energy: -804.679 Base-Backbone interact. energy: -0.391 local terms energy: -849.425221 where: bonds (distance) C4'-P energy: -162.373 bonds (distance) P-C4' energy: -155.938 flat angles C4'-P-C4' energy: -177.875 flat angles P-C4'-P energy: -118.195 tors. eta vs tors. theta energy: -235.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2460.186950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.186950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.186950 (E_RNA) where: Base-Base interactions energy: -1633.845 where: short stacking energy: -710.799 Base-Backbone interact. energy: -5.204 local terms energy: -821.137545 where: bonds (distance) C4'-P energy: -171.949 bonds (distance) P-C4' energy: -142.767 flat angles C4'-P-C4' energy: -179.198 flat angles P-C4'-P energy: -114.822 tors. eta vs tors. theta energy: -212.401 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: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2322.932827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.932827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.932827 (E_RNA) where: Base-Base interactions energy: -1556.149 where: short stacking energy: -700.356 Base-Backbone interact. energy: 1.322 local terms energy: -768.105585 where: bonds (distance) C4'-P energy: -155.565 bonds (distance) P-C4' energy: -153.189 flat angles C4'-P-C4' energy: -175.222 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -185.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1893.619252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.619252 (E_RNA) where: Base-Base interactions energy: -1209.688 where: short stacking energy: -542.242 Base-Backbone interact. energy: -2.822 local terms energy: -681.109545 where: bonds (distance) C4'-P energy: -132.620 bonds (distance) P-C4' energy: -160.837 flat angles C4'-P-C4' energy: -163.098 flat angles P-C4'-P energy: -95.404 tors. eta vs tors. theta energy: -129.151 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: 3 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1360.845966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.845966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.845966 (E_RNA) where: Base-Base interactions energy: -806.722 where: short stacking energy: -410.380 Base-Backbone interact. energy: 0.009 local terms energy: -554.133356 where: bonds (distance) C4'-P energy: -138.931 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -154.215 flat angles P-C4'-P energy: -79.216 tors. eta vs tors. theta energy: -50.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -889.461113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.461113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.461113 (E_RNA) where: Base-Base interactions energy: -414.399 where: short stacking energy: -246.562 Base-Backbone interact. energy: 6.686 local terms energy: -481.747947 where: bonds (distance) C4'-P energy: -158.408 bonds (distance) P-C4' energy: -143.693 flat angles C4'-P-C4' energy: -133.540 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: 13.566 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: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -791.002266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.002266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.002266 (E_RNA) where: Base-Base interactions energy: -325.542 where: short stacking energy: -243.434 Base-Backbone interact. energy: 4.155 local terms energy: -469.615253 where: bonds (distance) C4'-P energy: -136.793 bonds (distance) P-C4' energy: -154.601 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: 2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3164.807222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.807222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.807222 (E_RNA) where: Base-Base interactions energy: -2143.991 where: short stacking energy: -928.922 Base-Backbone interact. energy: -4.461 local terms energy: -1016.355677 where: bonds (distance) C4'-P energy: -174.505 bonds (distance) P-C4' energy: -187.306 flat angles C4'-P-C4' energy: -229.522 flat angles P-C4'-P energy: -132.700 tors. eta vs tors. theta energy: -292.323 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: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2999.264024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.264024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.264024 (E_RNA) where: Base-Base interactions energy: -2052.326 where: short stacking energy: -886.293 Base-Backbone interact. energy: 0.083 local terms energy: -947.020681 where: bonds (distance) C4'-P energy: -168.674 bonds (distance) P-C4' energy: -165.993 flat angles C4'-P-C4' energy: -192.465 flat angles P-C4'-P energy: -154.636 tors. eta vs tors. theta energy: -265.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2854.184750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.184750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.184750 (E_RNA) where: Base-Base interactions energy: -1933.381 where: short stacking energy: -801.269 Base-Backbone interact. energy: -3.703 local terms energy: -917.101441 where: bonds (distance) C4'-P energy: -167.449 bonds (distance) P-C4' energy: -174.578 flat angles C4'-P-C4' energy: -199.309 flat angles P-C4'-P energy: -132.731 tors. eta vs tors. theta energy: -243.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2681.827551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.827551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.827551 (E_RNA) where: Base-Base interactions energy: -1792.090 where: short stacking energy: -786.634 Base-Backbone interact. energy: -3.020 local terms energy: -886.717673 where: bonds (distance) C4'-P energy: -160.773 bonds (distance) P-C4' energy: -160.472 flat angles C4'-P-C4' energy: -195.423 flat angles P-C4'-P energy: -121.870 tors. eta vs tors. theta energy: -248.179 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: 8 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2451.140232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.140232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.140232 (E_RNA) where: Base-Base interactions energy: -1607.249 where: short stacking energy: -759.364 Base-Backbone interact. energy: -2.683 local terms energy: -841.208685 where: bonds (distance) C4'-P energy: -157.695 bonds (distance) P-C4' energy: -157.467 flat angles C4'-P-C4' energy: -180.481 flat angles P-C4'-P energy: -128.706 tors. eta vs tors. theta energy: -216.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2229.647832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.647832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.647832 (E_RNA) where: Base-Base interactions energy: -1502.501 where: short stacking energy: -678.904 Base-Backbone interact. energy: 2.430 local terms energy: -729.576384 where: bonds (distance) C4'-P energy: -122.863 bonds (distance) P-C4' energy: -161.951 flat angles C4'-P-C4' energy: -167.258 flat angles P-C4'-P energy: -107.863 tors. eta vs tors. theta energy: -169.642 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: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1864.622235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.622235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.622235 (E_RNA) where: Base-Base interactions energy: -1163.979 where: short stacking energy: -522.690 Base-Backbone interact. energy: -0.799 local terms energy: -699.844064 where: bonds (distance) C4'-P energy: -166.380 bonds (distance) P-C4' energy: -151.322 flat angles C4'-P-C4' energy: -157.408 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: -132.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1252.826988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.826988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.826988 (E_RNA) where: Base-Base interactions energy: -657.959 where: short stacking energy: -330.423 Base-Backbone interact. energy: -2.498 local terms energy: -592.369398 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -162.639 flat angles C4'-P-C4' energy: -160.615 flat angles P-C4'-P energy: -87.071 tors. eta vs tors. theta energy: -40.528 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: 498 Temperature: 1.300000 Total energy: -964.572332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.572332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.572332 (E_RNA) where: Base-Base interactions energy: -455.441 where: short stacking energy: -280.050 Base-Backbone interact. energy: -5.670 local terms energy: -503.461916 where: bonds (distance) C4'-P energy: -146.331 bonds (distance) P-C4' energy: -158.166 flat angles C4'-P-C4' energy: -134.436 flat angles P-C4'-P energy: -76.665 tors. eta vs tors. theta energy: 12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -735.009983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.009983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.009983 (E_RNA) where: Base-Base interactions energy: -285.256 where: short stacking energy: -228.402 Base-Backbone interact. energy: 4.816 local terms energy: -454.570198 where: bonds (distance) C4'-P energy: -142.921 bonds (distance) P-C4' energy: -140.406 flat angles C4'-P-C4' energy: -121.208 flat angles P-C4'-P energy: -73.221 tors. eta vs tors. theta energy: 23.185 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: 5 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3163.709075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.709075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.709075 (E_RNA) where: Base-Base interactions energy: -2188.188 where: short stacking energy: -949.245 Base-Backbone interact. energy: -3.995 local terms energy: -971.525934 where: bonds (distance) C4'-P energy: -173.436 bonds (distance) P-C4' energy: -174.447 flat angles C4'-P-C4' energy: -210.289 flat angles P-C4'-P energy: -132.009 tors. eta vs tors. theta energy: -281.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -3039.940953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.940953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.940953 (E_RNA) where: Base-Base interactions energy: -2077.733 where: short stacking energy: -931.721 Base-Backbone interact. energy: -2.738 local terms energy: -959.470222 where: bonds (distance) C4'-P energy: -172.925 bonds (distance) P-C4' energy: -187.490 flat angles C4'-P-C4' energy: -205.837 flat angles P-C4'-P energy: -127.491 tors. eta vs tors. theta energy: -265.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2848.238303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.238303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.238303 (E_RNA) where: Base-Base interactions energy: -1941.398 where: short stacking energy: -838.107 Base-Backbone interact. energy: 4.325 local terms energy: -911.165558 where: bonds (distance) C4'-P energy: -156.106 bonds (distance) P-C4' energy: -191.066 flat angles C4'-P-C4' energy: -200.743 flat angles P-C4'-P energy: -120.118 tors. eta vs tors. theta energy: -243.133 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: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2660.747482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.747482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.747482 (E_RNA) where: Base-Base interactions energy: -1782.006 where: short stacking energy: -793.912 Base-Backbone interact. energy: 0.959 local terms energy: -879.699718 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -175.325 flat angles C4'-P-C4' energy: -195.718 flat angles P-C4'-P energy: -128.689 tors. eta vs tors. theta energy: -233.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2386.030534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.030534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.030534 (E_RNA) where: Base-Base interactions energy: -1592.829 where: short stacking energy: -697.247 Base-Backbone interact. energy: -3.793 local terms energy: -789.408469 where: bonds (distance) C4'-P energy: -164.269 bonds (distance) P-C4' energy: -161.145 flat angles C4'-P-C4' energy: -167.472 flat angles P-C4'-P energy: -111.448 tors. eta vs tors. theta energy: -185.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2190.506240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.506240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.506240 (E_RNA) where: Base-Base interactions energy: -1449.199 where: short stacking energy: -659.788 Base-Backbone interact. energy: 1.879 local terms energy: -743.186997 where: bonds (distance) C4'-P energy: -155.765 bonds (distance) P-C4' energy: -180.173 flat angles C4'-P-C4' energy: -155.221 flat angles P-C4'-P energy: -81.147 tors. eta vs tors. theta energy: -170.881 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: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1902.572522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.572522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.572522 (E_RNA) where: Base-Base interactions energy: -1201.582 where: short stacking energy: -581.772 Base-Backbone interact. energy: -0.673 local terms energy: -700.318105 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -144.709 flat angles C4'-P-C4' energy: -177.261 flat angles P-C4'-P energy: -103.276 tors. eta vs tors. theta energy: -127.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1371.125056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.125056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.125056 (E_RNA) where: Base-Base interactions energy: -742.993 where: short stacking energy: -392.300 Base-Backbone interact. energy: 1.092 local terms energy: -629.223911 where: bonds (distance) C4'-P energy: -159.555 bonds (distance) P-C4' energy: -157.622 flat angles C4'-P-C4' energy: -161.747 flat angles P-C4'-P energy: -91.359 tors. eta vs tors. theta energy: -58.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -942.296465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.296465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.296465 (E_RNA) where: Base-Base interactions energy: -463.718 where: short stacking energy: -287.859 Base-Backbone interact. energy: 1.607 local terms energy: -480.184969 where: bonds (distance) C4'-P energy: -143.182 bonds (distance) P-C4' energy: -143.643 flat angles C4'-P-C4' energy: -126.846 flat angles P-C4'-P energy: -79.985 tors. eta vs tors. theta energy: 13.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -755.405021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.405021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.405021 (E_RNA) where: Base-Base interactions energy: -310.374 where: short stacking energy: -187.381 Base-Backbone interact. energy: 10.939 local terms energy: -455.970375 where: bonds (distance) C4'-P energy: -141.071 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -106.088 flat angles P-C4'-P energy: -105.360 tors. eta vs tors. theta energy: 32.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3166.399081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.399081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.399081 (E_RNA) where: Base-Base interactions energy: -2193.217 where: short stacking energy: -956.690 Base-Backbone interact. energy: -1.026 local terms energy: -972.156580 where: bonds (distance) C4'-P energy: -168.572 bonds (distance) P-C4' energy: -176.707 flat angles C4'-P-C4' energy: -216.090 flat angles P-C4'-P energy: -134.054 tors. eta vs tors. theta energy: -276.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -3048.171427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.171427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.171427 (E_RNA) where: Base-Base interactions energy: -2092.066 where: short stacking energy: -905.276 Base-Backbone interact. energy: -4.461 local terms energy: -951.644918 where: bonds (distance) C4'-P energy: -159.422 bonds (distance) P-C4' energy: -166.051 flat angles C4'-P-C4' energy: -212.667 flat angles P-C4'-P energy: -139.726 tors. eta vs tors. theta energy: -273.780 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: 6 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2919.603698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.603698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.603698 (E_RNA) where: Base-Base interactions energy: -1968.603 where: short stacking energy: -851.659 Base-Backbone interact. energy: -0.068 local terms energy: -950.932704 where: bonds (distance) C4'-P energy: -175.867 bonds (distance) P-C4' energy: -183.952 flat angles C4'-P-C4' energy: -206.014 flat angles P-C4'-P energy: -122.602 tors. eta vs tors. theta energy: -262.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2709.603998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.603998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.603998 (E_RNA) where: Base-Base interactions energy: -1823.871 where: short stacking energy: -793.336 Base-Backbone interact. energy: -2.868 local terms energy: -882.864445 where: bonds (distance) C4'-P energy: -183.559 bonds (distance) P-C4' energy: -145.458 flat angles C4'-P-C4' energy: -184.996 flat angles P-C4'-P energy: -127.062 tors. eta vs tors. theta energy: -241.789 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: 8 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2402.886878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.886878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.886878 (E_RNA) where: Base-Base interactions energy: -1606.958 where: short stacking energy: -728.614 Base-Backbone interact. energy: 0.322 local terms energy: -796.250276 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -154.716 flat angles C4'-P-C4' energy: -170.008 flat angles P-C4'-P energy: -129.029 tors. eta vs tors. theta energy: -190.223 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: 500 Temperature: 1.150000 Total energy: -2156.350765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.350765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.350765 (E_RNA) where: Base-Base interactions energy: -1418.524 where: short stacking energy: -637.732 Base-Backbone interact. energy: -0.074 local terms energy: -737.752645 where: bonds (distance) C4'-P energy: -170.658 bonds (distance) P-C4' energy: -142.789 flat angles C4'-P-C4' energy: -149.761 flat angles P-C4'-P energy: -114.685 tors. eta vs tors. theta energy: -159.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1877.421933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.421933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.421933 (E_RNA) where: Base-Base interactions energy: -1165.922 where: short stacking energy: -525.153 Base-Backbone interact. energy: 1.729 local terms energy: -713.228572 where: bonds (distance) C4'-P energy: -165.615 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -176.335 flat angles P-C4'-P energy: -115.748 tors. eta vs tors. theta energy: -108.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1362.292578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.292578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.292578 (E_RNA) where: Base-Base interactions energy: -753.798 where: short stacking energy: -358.262 Base-Backbone interact. energy: -1.882 local terms energy: -606.612084 where: bonds (distance) C4'-P energy: -157.822 bonds (distance) P-C4' energy: -169.837 flat angles C4'-P-C4' energy: -138.460 flat angles P-C4'-P energy: -99.472 tors. eta vs tors. theta energy: -41.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -916.389088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.389088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.389088 (E_RNA) where: Base-Base interactions energy: -433.837 where: short stacking energy: -239.053 Base-Backbone interact. energy: 7.927 local terms energy: -490.479278 where: bonds (distance) C4'-P energy: -145.047 bonds (distance) P-C4' energy: -145.056 flat angles C4'-P-C4' energy: -132.403 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: 22.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -684.741459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.741459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.741459 (E_RNA) where: Base-Base interactions energy: -234.140 where: short stacking energy: -178.989 Base-Backbone interact. energy: 2.151 local terms energy: -452.753168 where: bonds (distance) C4'-P energy: -113.475 bonds (distance) P-C4' energy: -151.820 flat angles C4'-P-C4' energy: -141.096 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: 35.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3176.827415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.827415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.827415 (E_RNA) where: Base-Base interactions energy: -2179.007 where: short stacking energy: -964.198 Base-Backbone interact. energy: -0.251 local terms energy: -997.569313 where: bonds (distance) C4'-P energy: -181.054 bonds (distance) P-C4' energy: -166.062 flat angles C4'-P-C4' energy: -221.111 flat angles P-C4'-P energy: -134.794 tors. eta vs tors. theta energy: -294.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -3058.280859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.280859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.280859 (E_RNA) where: Base-Base interactions energy: -2102.093 where: short stacking energy: -916.524 Base-Backbone interact. energy: -5.032 local terms energy: -951.155779 where: bonds (distance) C4'-P energy: -183.709 bonds (distance) P-C4' energy: -165.160 flat angles C4'-P-C4' energy: -189.263 flat angles P-C4'-P energy: -137.888 tors. eta vs tors. theta energy: -275.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2944.111733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.111733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.111733 (E_RNA) where: Base-Base interactions energy: -2006.491 where: short stacking energy: -864.084 Base-Backbone interact. energy: -0.826 local terms energy: -936.794164 where: bonds (distance) C4'-P energy: -164.669 bonds (distance) P-C4' energy: -192.088 flat angles C4'-P-C4' energy: -191.979 flat angles P-C4'-P energy: -134.619 tors. eta vs tors. theta energy: -253.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2712.861271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.861271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.861271 (E_RNA) where: Base-Base interactions energy: -1834.103 where: short stacking energy: -782.829 Base-Backbone interact. energy: -1.034 local terms energy: -877.723960 where: bonds (distance) C4'-P energy: -161.542 bonds (distance) P-C4' energy: -160.333 flat angles C4'-P-C4' energy: -187.492 flat angles P-C4'-P energy: -120.034 tors. eta vs tors. theta energy: -248.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2405.542375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.542375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.542375 (E_RNA) where: Base-Base interactions energy: -1567.843 where: short stacking energy: -690.675 Base-Backbone interact. energy: -1.526 local terms energy: -836.172763 where: bonds (distance) C4'-P energy: -174.437 bonds (distance) P-C4' energy: -170.518 flat angles C4'-P-C4' energy: -184.476 flat angles P-C4'-P energy: -107.349 tors. eta vs tors. theta energy: -199.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2202.455142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.455142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.455142 (E_RNA) where: Base-Base interactions energy: -1463.935 where: short stacking energy: -620.207 Base-Backbone interact. energy: -0.787 local terms energy: -737.733188 where: bonds (distance) C4'-P energy: -158.415 bonds (distance) P-C4' energy: -163.910 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -107.830 tors. eta vs tors. theta energy: -155.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1875.129926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.129926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.129926 (E_RNA) where: Base-Base interactions energy: -1145.313 where: short stacking energy: -551.005 Base-Backbone interact. energy: -1.572 local terms energy: -728.244005 where: bonds (distance) C4'-P energy: -157.028 bonds (distance) P-C4' energy: -167.780 flat angles C4'-P-C4' energy: -178.511 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: -137.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1345.723626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.723626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.723626 (E_RNA) where: Base-Base interactions energy: -769.390 where: short stacking energy: -397.724 Base-Backbone interact. energy: -2.658 local terms energy: -573.675732 where: bonds (distance) C4'-P energy: -167.401 bonds (distance) P-C4' energy: -149.729 flat angles C4'-P-C4' energy: -139.297 flat angles P-C4'-P energy: -71.253 tors. eta vs tors. theta energy: -45.996 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: 501 Temperature: 1.300000 Total energy: -1013.402502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.402502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.402502 (E_RNA) where: Base-Base interactions energy: -502.891 where: short stacking energy: -245.996 Base-Backbone interact. energy: -1.161 local terms energy: -509.351031 where: bonds (distance) C4'-P energy: -135.106 bonds (distance) P-C4' energy: -145.320 flat angles C4'-P-C4' energy: -126.231 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -19.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -735.386000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.386000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.386000 (E_RNA) where: Base-Base interactions energy: -313.567 where: short stacking energy: -233.695 Base-Backbone interact. energy: 3.116 local terms energy: -424.934890 where: bonds (distance) C4'-P energy: -134.413 bonds (distance) P-C4' energy: -122.901 flat angles C4'-P-C4' energy: -127.564 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: 24.258 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) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 230103932 moves confirmed later: 267205222 all moves confirmed: 497309154 percent of confirmed moves: 62.163644 current total energy: -3059.374450 recalc. total energy: -3059.374450 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 197391431 moves confirmed later: 224941783 all moves confirmed: 422333214 percent of confirmed moves: 52.791652 current total energy: -2963.889803 recalc. total energy: -2963.889803 replica 6 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 164508289 moves confirmed later: 181434227 all moves confirmed: 345942516 percent of confirmed moves: 43.242815 current total energy: -2712.378276 recalc. total energy: -2712.378276 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 170072462 moves confirmed later: 188137533 all moves confirmed: 358209995 percent of confirmed moves: 44.776249 current total energy: -2481.208466 recalc. total energy: -2481.208466 replica 8 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 189741598 moves confirmed later: 213584540 all moves confirmed: 403326138 percent of confirmed moves: 50.415767 current total energy: -2228.277368 recalc. total energy: -2228.277368 replica 10 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 182585822 moves confirmed later: 204872988 all moves confirmed: 387458810 percent of confirmed moves: 48.432351 current total energy: -1966.605815 recalc. total energy: -1966.605815 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 313885267 moves confirmed later: 377319134 all moves confirmed: 691204401 percent of confirmed moves: 86.400550 current total energy: -1640.951331 recalc. total energy: -1640.951331 replica 3 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 224444346 moves confirmed later: 258603049 all moves confirmed: 483047395 percent of confirmed moves: 60.380924 current total energy: -1163.105190 recalc. total energy: -1163.105190 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 313388923 moves confirmed later: 375587790 all moves confirmed: 688976713 percent of confirmed moves: 86.122089 current total energy: -788.489993 recalc. total energy: -788.489993 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 336480328 moves confirmed later: 406527721 all moves confirmed: 743008049 percent of confirmed moves: 92.876006 current total energy: -577.883867 recalc. total energy: -577.883867 out arg RESULTS//1/linc-aca1197f_01 Time of doing 8000000 iterations: 59355.035 seconds